#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1e s VAL 2 N 0.00 4.46 -0.23 0.52 1.01 -1.26 -5.08 120.40 119.82 1i1e s VAL 2 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1i1e s VAL 2 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1i1e s VAL 2 CO 0.00 0.58 -0.05 -0.89 0.00 0.00 0.00 175.10 174.74 1i1e s THR 3 N -0.59 3.24 -0.12 3.92 2.01 -1.26 -5.09 115.64 117.74 1i1e s THR 3 Ca 0.10 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 1i1e s THR 3 Cb -0.12 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1i1e s THR 3 CO 0.02 0.35 0.52 -0.63 -0.69 0.00 0.00 174.62 174.19 1i1e s ILE 4 N 1.44 5.15 0.78 1.82 -1.09 -1.26 -4.55 121.20 123.49 1i1e s ILE 4 Ca 0.04 1.03 -0.09 0.00 -2.23 0.00 0.00 60.65 59.39 1i1e s ILE 4 Cb -0.15 -3.85 0.09 0.00 -1.58 0.00 0.00 42.46 36.97 1i1e s ILE 4 CO -0.04 0.29 1.11 0.20 -1.23 0.00 0.00 174.94 175.28 1i1e s ASN 5 N 0.73 4.44 -0.01 3.58 0.01 0.65 -5.03 114.94 119.31 1i1e s ASN 5 Ca 0.27 0.50 0.02 0.00 -0.71 0.00 0.00 52.86 52.94 1i1e s ASN 5 Cb -0.15 -0.99 -0.00 0.00 0.41 0.00 0.00 41.25 40.51 1i1e s ASN 5 CO 0.11 -1.88 -0.07 0.20 -1.51 0.00 0.00 177.10 173.96 1i1e s ASN 6 N -4.60 0.82 0.04 -1.22 0.01 -1.26 -4.96 114.94 103.77 1i1e s ASN 6 Ca 0.63 -0.12 -0.28 0.00 -0.71 0.00 0.00 52.86 52.37 1i1e s ASN 6 Cb -0.10 -0.13 0.10 0.00 0.41 0.00 0.00 41.25 41.53 1i1e s ASN 6 CO 0.47 0.07 1.11 0.72 -1.51 0.00 0.00 177.10 177.97 1i1e s PHE 7 N -0.05 -0.11 0.08 2.20 -0.12 -1.26 -5.17 117.98 113.56 1i1e s PHE 7 Ca 0.01 -0.08 0.09 0.00 -0.05 0.00 0.00 56.93 56.90 1i1e s PHE 7 Cb -0.04 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 1i1e s PHE 7 CO -0.00 -0.53 -0.23 -0.80 -0.05 0.00 0.00 175.22 173.61 1i1e s ASN 8 N -2.87 3.49 0.26 1.98 0.01 -1.26 -4.84 114.94 111.71 1i1e s ASN 8 Ca 0.12 -0.59 -0.03 0.00 -0.71 0.00 0.00 52.86 51.65 1i1e s ASN 8 Cb 0.01 -0.39 0.55 0.00 0.41 0.00 0.00 41.25 41.84 1i1e s ASN 8 CO -0.02 0.22 1.65 0.22 -1.51 0.00 0.00 177.10 177.66 1i1e h TYR 9 N 4.28 0.15 0.00 2.20 3.20 -1.91 1.00 116.97 125.89 1i1e h TYR 9 Ca -0.49 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1i1e h TYR 9 Cb 1.16 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1i1e h TYR 9 CO 0.55 -0.21 0.00 0.09 -1.64 0.00 0.00 178.16 176.95 1i1e n ASN 10 N -5.28 0.00 -4.73 -2.11 3.02 -1.26 -4.85 115.26 100.05 1i1e n ASN 10 Ca 0.17 -0.54 -0.37 0.00 -0.03 0.00 0.00 54.58 53.81 1i1e n ASN 10 Cb 0.56 -0.02 0.07 0.00 -0.61 0.00 0.00 39.78 39.77 1i1e n ASN 10 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1i1e s ASP 11 N -2.05 4.54 0.56 6.41 1.11 0.34 -4.95 116.67 122.63 1i1e s ASP 11 Ca 0.28 2.63 -0.19 0.00 0.18 0.00 0.00 52.55 55.44 1i1e s ASP 11 Cb 0.13 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.45 1i1e s ASP 11 CO 0.22 -2.05 1.15 -2.84 1.18 0.00 0.00 175.17 172.83 1i1e s PRO 12 N -3.40 3.25 0.05 8.23 0.02 -1.26 -5.00 135.00 136.88 1i1e s PRO 12 Ca 0.83 1.65 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1i1e s PRO 12 Cb -0.38 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.11 1i1e s PRO 12 CO 0.40 -0.94 1.11 0.42 -0.33 0.00 0.00 177.00 177.66 1i1e s ILE 13 N -1.76 4.34 0.00 2.83 1.01 -1.26 -4.83 121.20 121.52 1i1e s ILE 13 Ca 0.73 1.70 0.00 0.00 0.00 0.00 0.00 60.65 63.09 1i1e s ILE 13 Cb -0.25 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.13 1i1e s ILE 13 CO 0.29 0.15 0.87 -0.90 0.00 0.00 0.00 174.94 175.35 1i1e n ASP 14 N 3.79 1.73 -0.12 3.58 5.68 -0.79 -4.98 116.55 125.43 1i1e n ASP 14 Ca 0.07 -1.75 -0.01 0.00 -0.50 0.00 0.00 54.79 52.59 1i1e n ASP 14 Cb 0.48 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.45 1i1e n ASP 14 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1i1e n ASN 15 N -0.38 -5.49 0.02 -1.12 3.02 -0.86 -4.71 115.26 105.74 1i1e n ASN 15 Ca 0.00 0.04 -0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1i1e n ASN 15 Cb 0.20 -3.36 -0.00 0.00 -0.61 0.00 0.00 39.78 36.01 1i1e n ASN 15 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1i1e n ASN 16 N -0.72 0.56 -0.11 6.41 2.85 -1.26 -4.90 115.26 118.10 1i1e n ASN 16 Ca -0.01 0.07 0.06 0.00 -0.11 0.00 0.00 54.58 54.59 1i1e n ASN 16 Cb 0.47 -0.20 -0.04 0.00 1.24 0.00 0.00 39.78 41.25 1i1e n ASN 16 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1i1e n ASN 17 N -3.01 0.86 -3.69 1.20 3.02 -1.26 -4.85 115.26 107.52 1i1e n ASN 17 Ca -0.01 -0.93 -0.25 0.00 -0.03 0.00 0.00 54.58 53.36 1i1e n ASN 17 Cb 0.02 0.79 -0.17 0.00 -0.61 0.00 0.00 39.78 39.82 1i1e n ASN 17 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i1e s ILE 18 N -1.88 0.19 0.34 2.41 1.01 -1.26 -1.50 121.20 120.51 1i1e s ILE 18 Ca 0.07 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.65 1i1e s ILE 18 Cb 0.09 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1i1e s ILE 18 CO 0.41 -0.06 0.19 0.27 0.00 0.00 0.00 174.94 175.75 1i1e s ILE 19 N 2.03 0.29 -0.53 2.92 -4.36 -0.44 -1.89 121.20 119.21 1i1e s ILE 19 Ca 0.02 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.36 1i1e s ILE 19 Cb -0.15 -2.46 0.14 0.00 1.25 0.00 0.00 42.46 41.24 1i1e s ILE 19 CO -0.07 0.00 0.36 -0.04 0.24 0.00 0.00 174.94 175.43 1i1e s MET 20 N -3.68 2.42 0.50 0.37 -1.94 -1.26 -0.40 119.30 115.31 1i1e s MET 20 Ca 0.34 -2.10 -0.07 0.00 -1.71 0.00 0.00 55.69 52.15 1i1e s MET 20 Cb 0.03 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.06 1i1e s MET 20 CO 0.20 -1.15 0.83 1.41 -0.01 0.00 0.00 175.02 176.29 1i1e s MET 21 N 0.71 3.58 -0.39 2.03 1.75 -0.53 0.63 119.30 127.08 1i1e s MET 21 Ca 0.11 0.33 0.03 0.00 -1.25 0.00 0.00 55.69 54.92 1i1e s MET 21 Cb -0.22 -2.32 0.11 0.00 2.84 0.00 0.00 34.83 35.24 1i1e s MET 21 CO -0.03 -0.25 0.12 -2.00 -0.65 0.00 0.00 175.02 172.21 1i1e s GLU 22 N -4.71 1.52 0.36 4.11 2.12 -0.04 -1.40 118.70 120.65 1i1e s GLU 22 Ca 0.49 -2.00 -0.26 0.00 0.36 0.00 0.00 54.97 53.57 1i1e s GLU 22 Cb -0.10 -3.06 -0.12 0.00 0.26 0.00 0.00 34.13 31.11 1i1e s GLU 22 CO 0.45 -1.00 1.03 -2.30 -0.54 0.00 0.00 175.26 172.90 1i1e n PRO 23 N 3.97 1.43 -0.29 4.30 -0.02 -1.26 -4.07 135.00 139.07 1i1e n PRO 23 Ca 0.04 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 62.13 1i1e n PRO 23 Cb 0.39 -1.99 0.26 0.00 -0.02 0.00 0.00 33.50 32.14 1i1e n PRO 23 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1i1e h PRO 24 N 1.82 0.32 0.00 0.52 0.11 -1.94 0.17 132.00 132.99 1i1e h PRO 24 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1i1e h PRO 24 Cb 1.33 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1i1e h PRO 24 CO 0.59 0.21 0.00 1.19 -0.21 0.00 0.00 178.00 179.78 1i1e n PHE 25 N -5.11 0.00 0.34 0.65 0.99 -1.26 -2.81 117.46 110.26 1i1e n PHE 25 Ca 0.19 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.78 1i1e n PHE 25 Cb 0.59 -0.22 0.45 0.00 -1.00 0.00 0.00 39.48 39.30 1i1e n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1i1e h ALA 26 N 3.26 1.00 -6.08 4.37 0.00 -1.28 -3.48 119.26 117.06 1i1e h ALA 26 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1i1e h ALA 26 Cb 0.18 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.02 1i1e h ALA 26 CO 0.00 0.00 -0.77 0.54 0.00 0.00 0.00 179.25 179.02 1i1e n ARG 27 N -2.80 -5.87 -1.00 0.00 1.74 -1.12 -2.01 116.66 105.59 1i1e n ARG 27 Ca 0.03 0.67 -0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1i1e n ARG 27 Cb 0.38 -5.49 -0.00 0.00 -1.02 0.00 0.00 32.46 26.32 1i1e n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i1e n GLY 28 N -1.64 0.07 3.71 -0.13 0.00 -1.26 -4.95 105.19 100.99 1i1e n GLY 28 Ca -0.12 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1i1e n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i1e s THR 29 N -1.12 0.84 0.33 2.61 -4.23 -0.85 -5.09 115.64 108.13 1i1e s THR 29 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1i1e s THR 29 Cb 0.00 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1i1e s THR 29 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1i1e n GLY 30 N -1.21 -2.37 3.39 3.99 0.00 -1.26 -4.84 105.19 102.89 1i1e n GLY 30 Ca -0.17 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 1i1e n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1i1e s ARG 31 N -2.78 -2.03 0.34 1.61 1.04 -1.26 -5.06 118.95 110.81 1i1e s ARG 31 Ca 0.00 0.41 0.08 0.00 -1.04 0.00 0.00 55.73 55.18 1i1e s ARG 31 Cb 0.00 -1.46 -0.03 0.00 -2.04 0.00 0.00 34.95 31.42 1i1e s ARG 31 CO 0.00 -4.35 0.27 0.71 -0.04 0.00 0.00 175.30 171.89 1i1e s TYR 32 N -2.39 2.87 -0.09 5.89 1.51 -1.26 -4.89 117.35 118.98 1i1e s TYR 32 Ca 0.69 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.47 1i1e s TYR 32 Cb -0.18 -1.78 -0.00 0.00 -0.11 0.00 0.00 41.96 39.89 1i1e s TYR 32 CO 0.61 0.20 -0.24 0.71 -1.11 0.00 0.00 175.55 175.72 1i1e s TYR 33 N -2.33 2.50 -0.06 2.71 1.51 -0.49 -4.92 117.35 116.27 1i1e s TYR 33 Ca 0.40 -0.98 -0.30 0.00 -1.01 0.00 0.00 57.07 55.19 1i1e s TYR 33 Cb -0.05 -1.67 -0.06 0.00 -0.11 0.00 0.00 41.96 40.07 1i1e s TYR 33 CO 0.26 -0.38 1.68 0.21 -1.11 0.00 0.00 175.55 176.21 1i1e s LYS 34 N 0.27 4.13 0.02 -0.62 2.20 -1.26 -1.46 119.74 123.02 1i1e s LYS 34 Ca -0.16 2.18 0.08 0.00 -0.36 0.00 0.00 55.97 57.70 1i1e s LYS 34 Cb -0.17 -4.01 -0.02 0.00 -1.51 0.00 0.00 37.83 32.12 1i1e s LYS 34 CO 0.08 -0.91 -0.23 0.00 -0.36 0.00 0.00 175.35 173.93 1i1e s ALA 35 N 4.22 1.95 -0.12 3.13 0.00 0.46 -4.54 121.76 126.86 1i1e s ALA 35 Ca 0.75 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1i1e s ALA 35 Cb -0.33 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1i1e s ALA 35 CO 0.30 0.46 -0.14 -0.06 0.00 0.00 0.00 175.76 176.32 1i1e s PHE 36 N -0.69 2.78 -0.95 0.00 0.40 -0.58 -1.33 117.98 117.61 1i1e s PHE 36 Ca 0.09 -0.65 -0.24 0.00 -0.60 0.00 0.00 56.93 55.53 1i1e s PHE 36 Cb -0.09 -1.82 0.05 0.00 0.51 0.00 0.00 43.02 41.67 1i1e s PHE 36 CO 0.01 -0.21 1.39 0.21 0.70 0.00 0.00 175.22 177.32 1i1e s LYS 37 N 0.29 3.49 0.40 0.44 2.20 -0.56 0.06 119.74 126.06 1i1e s LYS 37 Ca -0.11 -0.95 0.13 0.00 -0.36 0.00 0.00 55.97 54.68 1i1e s LYS 37 Cb -0.16 -5.05 0.82 0.00 -1.51 0.00 0.00 37.83 31.92 1i1e s LYS 37 CO 0.06 -2.17 1.89 0.97 -0.36 0.00 0.00 175.35 175.74 1i1e h ILE 38 N 6.56 1.21 -3.07 5.43 2.10 -1.71 -3.42 117.51 124.62 1i1e h ILE 38 Ca 0.08 -0.99 0.06 0.00 1.08 0.00 0.00 64.86 65.09 1i1e h ILE 38 Cb 1.02 1.50 -0.05 0.00 -1.09 0.00 0.00 36.82 38.20 1i1e h ILE 38 CO 1.38 0.29 0.19 0.42 -1.08 0.00 0.00 178.15 179.35 1i1e s THR 39 N -4.42 0.00 0.31 2.19 -4.23 -1.20 -0.26 115.64 108.04 1i1e s THR 39 Ca -0.04 -1.04 -0.27 0.00 -1.18 0.00 0.00 61.69 59.16 1i1e s THR 39 Cb 0.15 -2.02 -0.14 0.00 1.34 0.00 0.00 72.50 71.83 1i1e s THR 39 CO 0.72 -0.00 0.96 0.47 -0.54 0.00 0.00 174.62 176.23 1i1e n ASP 40 N -0.45 1.08 0.00 3.99 8.00 -1.26 -1.33 116.55 126.58 1i1e n ASP 40 Ca -0.04 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.60 1i1e n ASP 40 Cb 0.59 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 1i1e n ASP 40 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1i1e n ARG 41 N 0.64 -1.28 -4.54 -1.24 5.12 -1.26 -4.81 116.66 109.28 1i1e n ARG 41 Ca 0.10 0.26 -0.28 0.00 -1.93 0.00 0.00 57.85 55.99 1i1e n ARG 41 Cb 0.33 -4.25 -0.17 0.00 -1.16 0.00 0.00 32.46 27.21 1i1e n ARG 41 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1i1e s ILE 42 N -0.80 1.50 0.10 0.55 1.01 -0.44 -0.67 121.20 122.44 1i1e s ILE 42 Ca 0.00 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.10 1i1e s ILE 42 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1i1e s ILE 42 CO 0.00 0.44 -0.24 0.26 0.00 0.00 0.00 174.94 175.40 1i1e s TRP 43 N 0.88 2.39 -0.16 3.97 0.52 0.86 -1.89 118.94 125.51 1i1e s TRP 43 Ca -0.09 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 55.69 1i1e s TRP 43 Cb -0.15 -1.32 0.01 0.00 -1.15 0.00 0.00 33.47 30.85 1i1e s TRP 43 CO 0.00 0.30 -0.18 0.42 0.02 0.00 0.00 176.95 177.51 1i1e s ILE 44 N -1.01 2.36 -0.44 2.03 -1.09 0.11 -0.52 121.20 122.64 1i1e s ILE 44 Ca 0.14 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.69 1i1e s ILE 44 Cb -0.10 -1.99 0.12 0.00 -1.58 0.00 0.00 42.46 38.91 1i1e s ILE 44 CO 0.06 0.52 0.22 -0.63 -1.23 0.00 0.00 174.94 173.88 1i1e s ILE 45 N 1.02 3.11 -0.55 2.92 1.01 0.45 -1.53 121.20 127.63 1i1e s ILE 45 Ca -0.02 -2.37 -0.03 0.00 0.00 0.00 0.00 60.65 58.23 1i1e s ILE 45 Cb -0.15 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1i1e s ILE 45 CO -0.05 -0.71 1.70 -0.81 0.00 0.00 0.00 174.94 175.07 1i1e n PRO 46 N 4.22 1.29 -3.88 2.79 -0.04 -1.26 -3.14 135.00 134.99 1i1e n PRO 46 Ca 0.01 -1.06 -0.09 0.00 -0.04 0.00 0.00 63.50 62.32 1i1e n PRO 46 Cb 0.40 -2.25 -0.07 0.00 -0.04 0.00 0.00 33.50 31.54 1i1e n PRO 46 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1i1e s GLU 47 N 3.88 0.90 0.43 0.54 2.02 -1.26 -4.77 118.70 120.44 1i1e s GLU 47 Ca 0.25 -1.00 -0.25 0.00 0.02 0.00 0.00 54.97 53.99 1i1e s GLU 47 Cb 0.07 0.35 -0.08 0.00 0.10 0.00 0.00 34.13 34.56 1i1e s GLU 47 CO -0.02 -0.29 1.33 1.03 0.02 0.00 0.00 175.26 177.33 1i1e s ARG 48 N -3.88 3.80 -0.36 1.61 1.81 -1.26 0.28 118.95 120.95 1i1e s ARG 48 Ca 0.07 2.21 -0.25 0.00 -1.72 0.00 0.00 55.73 56.05 1i1e s ARG 48 Cb 0.05 -2.66 0.01 0.00 -0.45 0.00 0.00 34.95 31.90 1i1e s ARG 48 CO -0.09 -0.65 0.87 -0.47 -0.68 0.00 0.00 175.30 174.28 1i1e s TYR 49 N -1.27 3.10 -0.52 -0.53 5.04 -0.91 -4.78 117.35 117.49 1i1e s TYR 49 Ca 0.60 0.71 0.08 0.00 -2.44 0.00 0.00 57.07 56.02 1i1e s TYR 49 Cb -0.39 -3.52 -0.04 0.00 0.35 0.00 0.00 41.96 38.35 1i1e s TYR 49 CO 0.50 -0.77 0.42 0.25 -1.34 0.00 0.00 175.55 174.62 1i1e n THR 50 N 5.86 0.00 -1.57 4.34 -2.24 -1.26 -4.22 114.28 115.19 1i1e n THR 50 Ca 0.05 -0.37 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 1i1e n THR 50 Cb 0.48 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 1i1e n THR 50 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1i1e n PHE 51 N -0.78 1.80 -0.15 4.78 3.01 -1.26 -1.03 117.46 123.82 1i1e n PHE 51 Ca 0.02 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1i1e n PHE 51 Cb 0.14 -2.68 0.00 0.00 -0.01 0.00 0.00 39.48 36.92 1i1e n PHE 51 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i1e n GLY 52 N 5.93 0.64 3.54 1.37 0.00 -1.26 -4.90 105.19 110.51 1i1e n GLY 52 Ca 0.33 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 1i1e n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1e s TYR 53 N -2.26 2.58 -0.07 1.61 1.51 -0.20 -1.49 117.35 119.04 1i1e s TYR 53 Ca 0.00 -0.24 -0.14 0.00 -1.01 0.00 0.00 57.07 55.68 1i1e s TYR 53 Cb 0.00 -1.29 -0.05 0.00 -0.11 0.00 0.00 41.96 40.51 1i1e s TYR 53 CO 0.00 0.49 0.37 0.15 -1.11 0.00 0.00 175.55 175.44 1i1e s LYS 54 N -2.66 4.02 0.36 -0.62 1.02 -1.26 -4.98 119.74 115.62 1i1e s LYS 54 Ca 0.23 0.29 0.18 0.00 0.02 0.00 0.00 55.97 56.69 1i1e s LYS 54 Cb -0.09 -3.30 1.17 0.00 -0.52 0.00 0.00 37.83 35.09 1i1e s LYS 54 CO 0.14 0.51 1.66 -1.35 -0.92 0.00 0.00 175.35 175.38 1i1e h PRO 55 N 5.52 0.26 0.00 -1.68 0.11 -2.00 0.53 132.00 134.74 1i1e h PRO 55 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1i1e h PRO 55 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1i1e h PRO 55 CO 0.67 0.17 -0.43 1.05 -0.21 0.00 0.00 178.00 179.24 1i1e h GLU 56 N 0.27 0.00 -0.04 1.05 9.09 -1.97 -2.89 114.58 120.09 1i1e h GLU 56 Ca 0.75 0.00 0.01 0.00 0.05 0.00 0.00 59.36 60.17 1i1e h GLU 56 Cb 1.86 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.95 1i1e h GLU 56 CO -0.56 0.43 0.24 -0.44 0.05 0.00 0.00 179.01 178.73 1i1e h ASP 57 N 0.00 0.00 0.95 3.06 3.32 -0.31 0.11 116.42 123.55 1i1e h ASP 57 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i1e h ASP 57 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1i1e h ASP 57 CO 0.06 0.00 0.00 -0.26 -1.72 0.00 0.00 179.24 177.32 1i1e h PHE 58 N 0.00 0.00 -3.35 4.55 -1.00 -1.59 -3.44 116.94 112.11 1i1e h PHE 58 Ca 0.02 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.29 1i1e h PHE 58 Cb 0.50 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.05 1i1e h PHE 58 CO 0.00 0.00 -0.06 -0.80 -1.61 0.00 0.00 178.31 175.84 1i1e s ASN 59 N -4.84 6.47 0.05 2.17 0.01 0.37 -3.81 114.94 115.35 1i1e s ASN 59 Ca 0.04 0.84 -0.30 0.00 -0.71 0.00 0.00 52.86 52.72 1i1e s ASN 59 Cb 0.09 -2.20 -0.05 0.00 0.41 0.00 0.00 41.25 39.51 1i1e s ASN 59 CO 0.47 -0.26 1.15 -0.75 -1.51 0.00 0.00 177.10 176.21 1i1e s LYS 60 N -3.65 4.46 0.00 -0.60 2.36 -1.26 -5.01 119.74 116.03 1i1e s LYS 60 Ca 0.46 1.69 0.00 0.00 -2.55 0.00 0.00 55.97 55.57 1i1e s LYS 60 Cb -0.11 -3.37 0.00 0.00 -1.05 0.00 0.00 37.83 33.30 1i1e s LYS 60 CO 0.30 -0.22 0.00 -1.13 1.55 0.00 0.00 175.35 175.86 1i1e n SER 61 N 3.95 0.95 -1.49 1.43 3.41 -1.26 -5.01 113.62 115.60 1i1e n SER 61 Ca 0.08 -0.76 -0.06 0.00 -0.26 0.00 0.00 58.87 57.87 1i1e n SER 61 Cb 0.47 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.56 1i1e n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i1e n SER 62 N -1.56 3.44 -4.24 4.04 3.41 -1.26 -4.85 113.62 112.59 1i1e n SER 62 Ca 0.00 -2.71 -0.28 0.00 -0.26 0.00 0.00 58.87 55.62 1i1e n SER 62 Cb 0.00 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 1i1e n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i1e n GLY 63 N -0.10 3.50 3.41 5.00 0.00 -1.26 -2.05 105.19 113.69 1i1e n GLY 63 Ca 0.25 -2.28 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 1i1e n GLY 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i1e s ILE 64 N -2.80 0.02 -0.19 -0.61 -5.25 -0.39 -4.66 121.20 107.31 1i1e s ILE 64 Ca 0.06 -0.18 -0.01 0.00 -0.99 0.00 0.00 60.65 59.53 1i1e s ILE 64 Cb 0.00 -0.97 -0.22 0.00 2.95 0.00 0.00 42.46 44.23 1i1e s ILE 64 CO 0.05 -0.10 0.08 0.49 -1.79 0.00 0.00 174.94 173.66 1i1e n PHE 65 N 0.44 0.59 -4.98 1.37 3.01 -1.26 -0.84 117.46 115.80 1i1e n PHE 65 Ca -0.18 0.13 -0.32 0.00 1.01 0.00 0.00 57.45 58.08 1i1e n PHE 65 Cb 0.60 -1.08 -0.17 0.00 -0.01 0.00 0.00 39.48 38.82 1i1e n PHE 65 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1i1e s ASN 66 N -6.69 3.17 0.00 4.37 3.84 -1.26 -4.89 114.94 113.47 1i1e s ASN 66 Ca -0.27 -0.56 0.15 0.00 0.21 0.00 0.00 52.86 52.38 1i1e s ASN 66 Cb 0.08 -1.44 0.79 0.00 -0.55 0.00 0.00 41.25 40.13 1i1e s ASN 66 CO 0.69 0.13 1.37 0.54 -2.79 0.00 0.00 177.10 177.04 1i1e n ARG 67 N 3.73 0.30 -0.79 0.43 1.74 -1.26 -3.49 116.66 117.31 1i1e n ARG 67 Ca -0.19 0.10 0.05 0.00 -0.77 0.00 0.00 57.85 57.04 1i1e n ARG 67 Cb 0.52 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.59 1i1e n ARG 67 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1i1e n ASP 68 N -1.19 1.42 -3.84 0.55 8.00 -1.26 -4.56 116.55 115.67 1i1e n ASP 68 Ca 0.08 -3.02 -0.16 0.00 0.71 0.00 0.00 54.79 52.41 1i1e n ASP 68 Cb 0.09 -0.41 -0.16 0.00 -0.02 0.00 0.00 41.12 40.63 1i1e n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1i1e s VAL 69 N -1.87 0.17 -0.90 2.53 1.01 -1.23 -4.82 120.40 115.30 1i1e s VAL 69 Ca 0.32 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 1i1e s VAL 69 Cb 0.33 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.50 1i1e s VAL 69 CO -0.08 0.12 1.46 0.00 0.00 0.00 0.00 175.10 176.60 1i1e s GLU 71 N 5.50 4.45 -0.15 0.00 2.02 -0.50 -4.63 118.70 125.39 1i1e s GLU 71 Ca 0.45 1.62 -0.07 0.00 0.02 0.00 0.00 54.97 56.99 1i1e s GLU 71 Cb -0.04 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 1i1e s GLU 71 CO 0.00 -0.24 0.09 -0.47 0.02 0.00 0.00 175.26 174.67 1i1e s TYR 72 N 1.34 3.38 0.04 1.61 5.04 -1.26 -1.48 117.35 126.01 1i1e s TYR 72 Ca 0.55 0.29 0.09 0.00 -2.44 0.00 0.00 57.07 55.56 1i1e s TYR 72 Cb -0.25 -1.99 -0.03 0.00 0.35 0.00 0.00 41.96 40.04 1i1e s TYR 72 CO 0.27 0.43 -0.25 0.71 -1.34 0.00 0.00 175.55 175.37 1i1e s TYR 73 N -0.33 2.18 -0.32 4.97 1.51 -0.78 -1.98 117.35 122.61 1i1e s TYR 73 Ca 0.10 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1i1e s TYR 73 Cb -0.12 -1.32 0.19 0.00 -0.11 0.00 0.00 41.96 40.60 1i1e s TYR 73 CO 0.01 0.09 0.99 0.34 -1.11 0.00 0.00 175.55 175.88 1i1e s ASP 74 N -1.12 -0.53 0.00 2.29 2.15 -1.26 -4.89 116.67 113.31 1i1e s ASP 74 Ca 0.10 -0.11 0.12 0.00 0.43 0.00 0.00 52.55 53.10 1i1e s ASP 74 Cb -0.10 0.99 0.66 0.00 -0.30 0.00 0.00 42.92 44.18 1i1e s ASP 74 CO 0.02 -0.08 1.27 -0.81 -0.17 0.00 0.00 175.17 175.40 1i1e n PRO 75 N 4.44 0.24 0.04 4.34 -0.04 -1.25 -2.79 135.00 139.99 1i1e n PRO 75 Ca 0.08 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 1i1e n PRO 75 Cb 0.60 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.62 1i1e n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1i1e n ASP 76 N -1.20 0.64 -4.66 3.54 8.00 -1.26 -4.87 116.55 116.74 1i1e n ASP 76 Ca 0.07 -0.05 -0.47 0.00 0.71 0.00 0.00 54.79 55.05 1i1e n ASP 76 Cb 0.08 0.60 -0.04 0.00 -0.02 0.00 0.00 41.12 41.73 1i1e n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i1e n TYR 77 N -2.08 2.15 -3.29 1.24 9.36 -1.12 -1.83 117.16 121.59 1i1e n TYR 77 Ca 0.02 0.34 -0.20 0.00 3.32 0.00 0.00 57.90 61.38 1i1e n TYR 77 Cb 0.45 -2.51 0.06 0.00 -0.63 0.00 0.00 39.34 36.71 1i1e n TYR 77 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1i1e n LEU 78 N 3.22 -3.02 -1.25 2.98 4.77 -1.26 -4.84 117.00 117.59 1i1e n LEU 78 Ca 0.17 -0.40 0.09 0.00 -0.03 0.00 0.00 56.01 55.84 1i1e n LEU 78 Cb 0.27 -2.65 0.30 0.00 -2.33 0.00 0.00 43.42 39.01 1i1e n LEU 78 CO 0.63 0.46 0.76 -0.46 -1.33 0.00 0.00 177.39 177.45 1i1e n ASN 79 N -2.22 4.05 -3.94 -1.43 6.94 -0.76 -4.80 115.26 113.10 1i1e n ASN 79 Ca -0.02 -2.25 -0.09 0.00 -0.02 0.00 0.00 54.58 52.19 1i1e n ASN 79 Cb 0.57 -0.47 -0.10 0.00 -2.36 0.00 0.00 39.78 37.42 1i1e n ASN 79 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1i1e s THR 80 N -1.47 0.13 0.25 5.53 -4.23 -1.26 -5.04 115.64 109.55 1i1e s THR 80 Ca 0.44 -1.10 -0.04 0.00 -1.18 0.00 0.00 61.69 59.81 1i1e s THR 80 Cb 0.26 -0.83 0.22 0.00 1.34 0.00 0.00 72.50 73.49 1i1e s THR 80 CO 0.24 -0.61 1.81 0.78 -0.54 0.00 0.00 174.62 176.31 1i1e h ASN 81 N 3.79 0.71 -0.34 3.99 4.21 -1.99 -0.42 115.58 125.53 1i1e h ASN 81 Ca -0.32 0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.19 1i1e h ASN 81 Cb 1.18 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 38.27 1i1e h ASN 81 CO 0.50 0.40 0.07 -0.78 -1.29 0.00 0.00 177.43 176.33 1i1e h ASP 82 N 0.82 0.59 -0.46 5.81 3.58 -1.99 0.11 116.42 124.88 1i1e h ASP 82 Ca 0.41 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.62 1i1e h ASP 82 Cb 0.37 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1i1e h ASP 82 CO -0.25 0.61 -0.24 0.11 -2.88 0.00 0.00 179.24 176.60 1i1e h LYS 83 N 0.61 0.98 -0.11 0.28 1.57 -1.56 -1.55 116.57 116.80 1i1e h LYS 83 Ca 0.14 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1i1e h LYS 83 Cb 0.28 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1i1e h LYS 83 CO 0.00 1.10 0.04 0.87 -0.57 0.00 0.00 179.45 180.90 1i1e h LYS 84 N 0.84 0.16 -0.96 3.15 1.57 -0.45 -1.03 116.57 119.85 1i1e h LYS 84 Ca 0.10 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1i1e h LYS 84 Cb 0.82 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.05 1i1e h LYS 84 CO 0.07 0.26 0.63 -0.97 -0.57 0.00 0.00 179.45 178.87 1i1e h ASN 85 N 0.02 1.04 -0.85 0.86 -0.00 -0.70 0.75 115.58 116.69 1i1e h ASN 85 Ca 0.04 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.29 1i1e h ASN 85 Cb 0.16 -0.24 -0.04 0.00 -0.00 0.00 0.00 38.32 38.21 1i1e h ASN 85 CO -0.00 0.71 0.41 0.40 -0.00 0.00 0.00 177.43 178.94 1i1e h ILE 86 N 1.20 1.26 -0.05 2.57 2.04 -0.97 0.25 117.51 123.81 1i1e h ILE 86 Ca 0.38 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1i1e h ILE 86 Cb 0.02 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1i1e h ILE 86 CO -0.12 0.32 -0.01 0.15 0.00 0.00 0.00 178.15 178.49 1i1e h PHE 87 N 1.22 -0.02 0.19 1.37 3.57 0.28 -0.80 116.94 122.75 1i1e h PHE 87 Ca 0.29 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1i1e h PHE 87 Cb 0.12 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1i1e h PHE 87 CO 0.02 -0.02 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.76 1i1e h LEU 88 N 0.00 -0.70 -2.03 0.59 3.38 -0.03 -0.39 115.31 116.13 1i1e h LEU 88 Ca 0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1i1e h LEU 88 Cb 0.03 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1i1e h LEU 88 CO -0.04 -0.36 -0.02 1.56 0.09 0.00 0.00 178.44 179.66 1i1e h GLN 89 N -0.50 0.00 -0.02 1.13 1.08 -0.43 -1.27 115.11 115.10 1i1e h GLN 89 Ca 0.01 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1i1e h GLN 89 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1i1e h GLN 89 CO -0.10 0.02 -0.14 1.15 -0.95 0.00 0.00 178.83 178.81 1i1e h THR 90 N 0.00 1.52 -0.80 -0.54 2.02 -0.64 -1.90 112.91 112.55 1i1e h THR 90 Ca -0.00 -1.72 0.10 0.00 0.77 0.00 0.00 66.41 65.56 1i1e h THR 90 Cb 0.05 2.59 -0.08 0.00 -1.74 0.00 0.00 68.15 68.97 1i1e h THR 90 CO 0.00 0.47 0.44 0.24 0.37 0.00 0.00 175.52 177.04 1i1e h MET 91 N -0.50 0.69 -0.65 6.66 2.86 -0.60 0.65 114.93 124.04 1i1e h MET 91 Ca -0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1i1e h MET 91 Cb 0.83 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1i1e h MET 91 CO 0.03 0.46 0.36 0.82 1.06 0.00 0.00 176.91 179.64 1i1e h ILE 92 N 0.72 1.20 -0.67 -1.22 2.04 -1.24 0.32 117.51 118.65 1i1e h ILE 92 Ca 0.40 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 1i1e h ILE 92 Cb 0.42 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1i1e h ILE 92 CO -0.28 0.22 0.16 0.50 0.00 0.00 0.00 178.15 178.75 1i1e h LYS 93 N 0.88 1.07 -0.17 2.37 3.64 -0.29 -1.66 116.57 122.42 1i1e h LYS 93 Ca 0.23 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1i1e h LYS 93 Cb 0.03 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1i1e h LYS 93 CO -0.04 0.95 0.04 -0.07 -2.27 0.00 0.00 179.45 178.07 1i1e h LEU 94 N 0.99 0.25 -0.95 5.20 3.38 -0.54 -0.38 115.31 123.27 1i1e h LEU 94 Ca 0.21 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1i1e h LEU 94 Cb 0.37 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1i1e h LEU 94 CO 0.00 0.42 0.61 -0.26 0.09 0.00 0.00 178.44 179.31 1i1e h PHE 95 N 0.07 1.15 -0.79 1.13 -1.00 -0.85 0.11 116.94 116.75 1i1e h PHE 95 Ca 0.05 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 1i1e h PHE 95 Cb 0.27 -0.38 -0.03 0.00 3.61 0.00 0.00 35.95 39.41 1i1e h PHE 95 CO 0.01 0.63 0.30 -0.91 -1.61 0.00 0.00 178.31 176.73 1i1e h ASN 96 N 1.16 1.10 -0.70 2.17 2.35 -1.01 -1.24 115.58 119.41 1i1e h ASN 96 Ca 0.40 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1i1e h ASN 96 Cb 0.08 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1i1e h ASN 96 CO -0.15 0.99 0.27 -0.09 -1.65 0.00 0.00 177.43 176.79 1i1e h ARG 97 N 1.15 1.08 -0.29 0.81 2.43 0.24 -1.53 114.38 118.28 1i1e h ARG 97 Ca 0.26 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1i1e h ARG 97 Cb 0.24 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1i1e h ARG 97 CO -0.02 0.89 0.14 0.82 -1.51 0.00 0.00 179.97 180.30 1i1e h ILE 98 N 1.05 1.15 0.00 1.20 2.04 -0.19 -2.59 117.51 120.17 1i1e h ILE 98 Ca 0.24 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1i1e h ILE 98 Cb 0.23 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1i1e h ILE 98 CO -0.02 0.15 0.00 2.29 0.00 0.00 0.00 178.15 180.58 1i1e n LYS 99 N -4.79 0.17 0.00 2.37 2.85 -0.53 -3.55 118.16 114.68 1i1e n LYS 99 Ca -0.02 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1i1e n LYS 99 Cb 0.10 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.00 1i1e n LYS 99 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1i1e n SER 100 N -1.41 0.00 -4.01 -5.58 3.41 -0.60 -4.34 113.62 101.10 1i1e n SER 100 Ca 0.09 0.41 -0.14 0.00 -0.26 0.00 0.00 58.87 58.97 1i1e n SER 100 Cb 0.27 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.67 1i1e n SER 100 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1i1e s LYS 101 N -2.83 0.47 0.18 4.33 1.02 -1.23 -5.06 119.74 116.60 1i1e s LYS 101 Ca 0.01 -0.47 -0.25 0.00 0.02 0.00 0.00 55.97 55.27 1i1e s LYS 101 Cb 0.01 -0.34 0.05 0.00 -0.52 0.00 0.00 37.83 37.03 1i1e s LYS 101 CO 0.02 0.08 1.56 -1.35 -0.92 0.00 0.00 175.35 174.73 1i1e h PRO 102 N 5.24 -0.15 -0.92 -1.68 0.11 -1.89 -0.05 132.00 132.67 1i1e h PRO 102 Ca -0.32 0.01 0.20 0.00 0.11 0.00 0.00 66.00 66.00 1i1e h PRO 102 Cb 1.20 0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.23 1i1e h PRO 102 CO 0.45 -0.10 0.47 1.25 -0.21 0.00 0.00 178.00 179.86 1i1e h LEU 103 N -0.15 0.50 -0.10 2.35 5.85 -1.91 0.19 115.31 122.04 1i1e h LEU 103 Ca 0.20 0.13 -0.22 0.00 0.84 0.00 0.00 57.88 58.83 1i1e h LEU 103 Cb 0.55 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.65 1i1e h LEU 103 CO -0.78 0.11 -0.80 1.23 -0.34 0.00 0.00 178.44 177.86 1i1e h GLY 104 N 0.54 0.80 1.00 3.75 0.00 -1.18 -2.31 103.07 105.67 1i1e h GLY 104 Ca 0.55 -1.20 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1i1e h GLY 104 CO -0.45 1.07 0.27 -2.09 0.00 0.00 0.00 176.54 175.33 1i1e h GLU 105 N 0.42 0.53 -0.84 4.80 4.81 0.03 -1.44 114.58 122.89 1i1e h GLU 105 Ca -0.07 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1i1e h GLU 105 Cb 1.44 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.66 1i1e h GLU 105 CO 0.16 0.36 0.46 0.87 -0.73 0.00 0.00 179.01 180.13 1i1e h LYS 106 N 0.55 1.18 -0.45 1.92 1.57 -0.68 0.34 116.57 121.00 1i1e h LYS 106 Ca 0.15 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1i1e h LYS 106 Cb -0.06 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 1i1e h LYS 106 CO -0.03 0.87 0.29 1.25 -0.57 0.00 0.00 179.45 181.26 1i1e h LEU 107 N 1.18 0.48 -0.45 2.94 5.85 -1.04 0.80 115.31 125.07 1i1e h LEU 107 Ca 0.30 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 1i1e h LEU 107 Cb 0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1i1e h LEU 107 CO -0.05 0.35 0.13 -0.07 -0.34 0.00 0.00 178.44 178.46 1i1e h LEU 108 N 0.58 0.67 -1.00 2.25 3.38 -0.60 -1.91 115.31 118.68 1i1e h LEU 108 Ca 0.17 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1i1e h LEU 108 Cb -0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1i1e h LEU 108 CO -0.05 0.71 0.27 -0.33 0.09 0.00 0.00 178.44 179.13 1i1e h GLU 109 N 0.60 0.98 -0.50 1.13 5.08 0.04 0.36 114.58 122.27 1i1e h GLU 109 Ca 0.14 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1i1e h GLU 109 Cb 0.29 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1i1e h GLU 109 CO -0.00 0.80 0.14 0.52 -1.00 0.00 0.00 179.01 179.47 1i1e h MET 110 N 0.97 0.80 -0.31 2.33 2.86 -0.67 -1.71 114.93 119.19 1i1e h MET 110 Ca 0.23 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1i1e h MET 110 Cb 0.18 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1i1e h MET 110 CO -0.02 0.76 0.00 0.82 1.06 0.00 0.00 176.91 179.53 1i1e h ILE 111 N 0.69 1.26 -0.52 -1.22 2.04 -0.82 0.17 117.51 119.11 1i1e h ILE 111 Ca 0.16 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1i1e h ILE 111 Cb 0.31 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1i1e h ILE 111 CO -0.00 0.31 0.25 0.40 0.00 0.00 0.00 178.15 179.11 1i1e h ILE 112 N 0.35 1.20 0.00 -0.67 2.04 -0.89 -2.91 117.51 116.62 1i1e h ILE 112 Ca 0.09 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1i1e h ILE 112 Cb 0.44 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1i1e h ILE 112 CO 0.02 0.22 -0.12 0.59 0.00 0.00 0.00 178.15 178.86 1i1e n ASN 113 N -4.59 0.26 -3.27 1.72 3.02 -0.65 -4.32 115.26 107.42 1i1e n ASN 113 Ca 0.02 0.37 -0.37 0.00 -0.03 0.00 0.00 54.58 54.57 1i1e n ASN 113 Cb 0.12 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 1i1e n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1e n GLY 114 N 1.46 4.68 3.78 7.41 0.00 0.04 -4.92 105.19 117.65 1i1e n GLY 114 Ca 0.06 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1i1e n GLY 114 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i1e s ILE 115 N 0.13 2.25 0.48 -0.61 -4.36 -1.26 -4.68 121.20 113.16 1i1e s ILE 115 Ca 0.61 0.26 -0.24 0.00 -0.26 0.00 0.00 60.65 61.02 1i1e s ILE 115 Cb 0.20 -3.16 -0.07 0.00 1.25 0.00 0.00 42.46 40.68 1i1e s ILE 115 CO -0.09 0.06 1.41 -2.84 0.24 0.00 0.00 174.94 173.73 1i1e s PRO 116 N -2.00 3.50 0.78 0.37 0.02 -1.26 -4.95 135.00 131.46 1i1e s PRO 116 Ca 0.52 2.37 -0.14 0.00 0.02 0.00 0.00 61.00 63.77 1i1e s PRO 116 Cb -0.44 -2.53 0.07 0.00 0.02 0.00 0.00 34.50 31.62 1i1e s PRO 116 CO 0.60 -0.95 1.21 -0.47 -0.33 0.00 0.00 177.00 177.06 1i1e s TYR 117 N -1.23 1.88 -1.15 6.54 5.04 -0.40 -4.85 117.35 123.17 1i1e s TYR 117 Ca 0.64 1.64 -0.18 0.00 -2.44 0.00 0.00 57.07 56.74 1i1e s TYR 117 Cb -0.43 -3.49 0.11 0.00 0.35 0.00 0.00 41.96 38.50 1i1e s TYR 117 CO 0.54 -2.80 1.47 -0.51 -1.34 0.00 0.00 175.55 172.90 1i1e s LEU 118 N -5.50 4.43 0.00 6.97 1.43 -1.26 -4.84 118.68 119.90 1i1e s LEU 118 Ca 0.74 -2.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.46 1i1e s LEU 118 Cb -0.29 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1i1e s LEU 118 CO 0.49 -1.06 0.00 0.61 0.23 0.00 0.00 176.35 176.61 1i1e n GLY 119 N 5.24 1.34 0.00 -3.19 0.00 -1.16 -1.82 105.19 105.60 1i1e n GLY 119 Ca 0.37 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1i1e n GLY 119 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i1e n ASP 120 N 0.00 0.00 -0.36 1.61 5.68 -1.26 -4.91 116.55 117.31 1i1e n ASP 120 Ca 0.00 -0.95 0.30 0.00 -0.50 0.00 0.00 54.79 53.64 1i1e n ASP 120 Cb 0.00 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 40.60 1i1e n ASP 120 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1i1e h ARG 121 N 0.00 0.20 0.00 0.11 0.11 -1.97 0.17 114.38 112.99 1i1e h ARG 121 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1i1e h ARG 121 Cb 0.00 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.03 1i1e h ARG 121 CO 0.00 0.13 -0.04 0.00 0.10 0.00 0.00 179.97 180.16 1i1e h ARG 122 N 0.20 0.00 -6.48 0.08 3.08 -1.99 -3.45 114.38 105.82 1i1e h ARG 122 Ca 0.65 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 60.17 1i1e h ARG 122 Cb 2.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.06 1i1e h ARG 122 CO -0.23 0.04 0.37 0.08 -1.07 0.00 0.00 179.97 179.16 1i1e s VAL 123 N -3.55 4.69 0.43 2.04 1.01 0.58 -5.01 120.40 120.60 1i1e s VAL 123 Ca 0.02 2.06 -0.25 0.00 0.00 0.00 0.00 61.98 63.81 1i1e s VAL 123 Cb 0.08 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1i1e s VAL 123 CO 0.59 0.23 1.31 -2.65 0.00 0.00 0.00 175.10 174.58 1i1e n PRO 124 N 3.40 1.98 -0.16 2.72 -0.02 -1.26 -4.85 135.00 136.81 1i1e n PRO 124 Ca 0.04 0.71 0.28 0.00 -2.02 0.00 0.00 63.50 62.51 1i1e n PRO 124 Cb 0.50 -2.44 0.72 0.00 -0.02 0.00 0.00 33.50 32.26 1i1e n PRO 124 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1i1e h LEU 125 N 2.09 0.00 -0.24 2.45 3.38 -1.95 -0.29 115.31 120.75 1i1e h LEU 125 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1i1e h LEU 125 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1i1e h LEU 125 CO 0.60 0.00 -0.20 -0.62 0.09 0.00 0.00 178.44 178.31 1i1e n GLU 126 N -4.27 0.55 -4.25 1.13 4.71 -1.26 -3.20 120.64 114.06 1i1e n GLU 126 Ca 0.17 -0.24 -0.23 0.00 -0.01 0.00 0.00 57.16 56.85 1i1e n GLU 126 Cb 0.92 -1.49 -0.07 0.00 -1.01 0.00 0.00 31.44 29.78 1i1e n GLU 126 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1i1e s GLU 127 N -2.61 2.31 -0.17 3.49 2.02 -0.12 -0.06 118.70 123.55 1i1e s GLU 127 Ca 0.23 -1.47 0.01 0.00 0.02 0.00 0.00 54.97 53.77 1i1e s GLU 127 Cb 0.19 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 32.29 1i1e s GLU 127 CO 0.53 0.29 -0.18 -0.06 0.02 0.00 0.00 175.26 175.85 1i1e s PHE 128 N -2.36 2.62 -0.25 1.61 2.99 -0.11 -4.76 117.98 117.72 1i1e s PHE 128 Ca 0.33 -1.53 0.02 0.00 0.00 0.00 0.00 56.93 55.75 1i1e s PHE 128 Cb -0.05 -1.83 0.06 0.00 0.00 0.00 0.00 43.02 41.20 1i1e s PHE 128 CO 0.21 -0.77 -0.09 1.21 -0.00 0.00 0.00 175.22 175.77 1i1e s ASN 129 N 1.34 4.24 0.00 1.36 3.84 -0.76 -3.75 114.94 121.21 1i1e s ASN 129 Ca 0.05 -1.32 0.26 0.00 0.21 0.00 0.00 52.86 52.06 1i1e s ASN 129 Cb -0.13 -1.43 0.67 0.00 -0.55 0.00 0.00 41.25 39.81 1i1e s ASN 129 CO -0.12 -0.20 1.52 0.35 -2.79 0.00 0.00 177.10 175.86 1i1e n THR 130 N 4.51 0.00 -1.38 -5.21 -2.24 -1.26 -2.96 114.28 105.74 1i1e n THR 130 Ca -0.13 -0.05 -0.26 0.00 -2.27 0.00 0.00 64.05 61.34 1i1e n THR 130 Cb 0.43 0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.81 1i1e n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1i1e n ASN 131 N -1.19 6.73 -4.02 3.42 5.15 -1.26 -3.73 115.26 120.36 1i1e n ASN 131 Ca 0.08 -2.84 -0.12 0.00 -0.60 0.00 0.00 54.58 51.10 1i1e n ASN 131 Cb 0.34 -1.38 -0.12 0.00 -0.53 0.00 0.00 39.78 38.09 1i1e n ASN 131 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1i1e s ILE 132 N -0.19 0.38 -1.61 -1.44 -4.36 -1.26 -4.48 121.20 108.24 1i1e s ILE 132 Ca 0.63 -0.89 0.03 0.00 -0.26 0.00 0.00 60.65 60.15 1i1e s ILE 132 Cb 0.29 -0.46 0.07 0.00 1.25 0.00 0.00 42.46 43.61 1i1e s ILE 132 CO -0.10 -0.35 0.84 0.00 0.24 0.00 0.00 174.94 175.57 1i1e n ALA 133 N 1.73 1.43 0.76 2.27 0.00 -1.26 -1.80 120.51 123.65 1i1e n ALA 133 Ca -0.22 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.30 1i1e n ALA 133 Cb 0.55 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 19.02 1i1e n ALA 133 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i1e n SER 134 N -1.19 2.45 0.00 0.00 3.41 -1.26 -4.61 113.62 112.42 1i1e n SER 134 Ca 0.02 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 1i1e n SER 134 Cb 0.02 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1i1e n SER 134 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1i1e n VAL 135 N 0.92 0.00 -4.79 -3.33 0.31 -0.74 -1.27 118.33 109.43 1i1e n VAL 135 Ca 0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.13 1i1e n VAL 135 Cb 0.45 -0.53 -0.13 0.00 -0.91 0.00 0.00 33.84 32.71 1i1e n VAL 135 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1i1e s THR 136 N -1.91 2.59 0.04 2.52 2.01 -0.96 -3.95 115.64 115.98 1i1e s THR 136 Ca 0.00 -1.20 0.04 0.00 0.31 0.00 0.00 61.69 60.84 1i1e s THR 136 Cb 0.00 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 1i1e s THR 136 CO 0.00 0.38 -0.11 0.54 -0.69 0.00 0.00 174.62 174.74 1i1e s VAL 137 N -0.86 0.85 0.25 3.82 0.11 -0.57 -4.57 120.40 119.44 1i1e s VAL 137 Ca 0.13 -1.04 0.04 0.00 -2.93 0.00 0.00 61.98 58.18 1i1e s VAL 137 Cb -0.10 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1i1e s VAL 137 CO 0.04 -0.18 0.40 0.20 -3.33 0.00 0.00 175.10 172.22 1i1e s ASN 138 N -1.36 6.32 -0.03 3.54 0.01 -1.26 -0.77 114.94 121.40 1i1e s ASN 138 Ca -0.03 0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.31 1i1e s ASN 138 Cb -0.09 -1.91 0.01 0.00 0.41 0.00 0.00 41.25 39.68 1i1e s ASN 138 CO 0.01 -0.11 -0.06 -1.59 -1.51 0.00 0.00 177.10 173.84 1i1e s LYS 139 N -3.97 0.85 -0.40 -0.60 -2.85 -0.33 -0.86 119.74 111.58 1i1e s LYS 139 Ca 0.36 -0.18 -0.29 0.00 -1.00 0.00 0.00 55.97 54.85 1i1e s LYS 139 Cb -0.09 -0.82 0.02 0.00 -2.06 0.00 0.00 37.83 34.87 1i1e s LYS 139 CO 0.30 0.00 1.25 -1.17 0.10 0.00 0.00 175.35 175.84 1i1e s LEU 140 N 0.56 3.71 -0.02 2.77 2.96 0.21 -1.70 118.68 127.16 1i1e s LEU 140 Ca -0.08 0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 54.59 1i1e s LEU 140 Cb -0.11 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.75 1i1e s LEU 140 CO 0.00 -1.23 0.76 0.40 -1.32 0.00 0.00 176.35 174.96 1i1e h ILE 141 N 6.19 1.03 -3.41 6.68 5.03 -1.46 -3.40 117.51 128.17 1i1e h ILE 141 Ca -0.25 -2.67 -0.46 0.00 -0.12 0.00 0.00 64.86 61.36 1i1e h ILE 141 Cb 1.08 2.72 0.21 0.00 -3.03 0.00 0.00 36.82 37.81 1i1e h ILE 141 CO 1.08 0.82 -0.02 -1.54 -0.68 0.00 0.00 178.15 177.81 1i1e n SER 142 N -3.47 -1.33 -4.65 1.72 3.41 -1.04 -5.00 113.62 103.26 1i1e n SER 142 Ca -0.20 -0.03 -0.29 0.00 -0.26 0.00 0.00 58.87 58.09 1i1e n SER 142 Cb 1.05 -1.29 0.18 0.00 -0.26 0.00 0.00 64.21 63.89 1i1e n SER 142 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1i1e s ASN 143 N -2.42 2.49 0.35 4.04 -0.87 -1.26 -4.97 114.94 112.30 1i1e s ASN 143 Ca 0.68 1.31 -0.28 0.00 -1.57 0.00 0.00 52.86 52.99 1i1e s ASN 143 Cb -0.24 -1.99 -0.11 0.00 -0.02 0.00 0.00 41.25 38.89 1i1e s ASN 143 CO 0.64 -3.23 1.40 -2.84 -2.57 0.00 0.00 177.10 170.50 1i1e s PRO 144 N -4.87 4.23 0.00 -0.60 0.02 -1.26 -3.79 135.00 128.73 1i1e s PRO 144 Ca 0.66 2.39 0.00 0.00 0.02 0.00 0.00 61.00 64.07 1i1e s PRO 144 Cb -0.20 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1i1e s PRO 144 CO 0.59 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 177.31 1i1e n GLY 145 N 0.68 1.01 3.65 0.52 0.00 -1.26 -5.07 105.19 104.71 1i1e n GLY 145 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1i1e n GLY 145 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i1e s GLU 146 N -0.39 0.09 -0.26 1.61 -1.05 -1.25 -5.01 118.70 112.43 1i1e s GLU 146 Ca 0.00 0.11 0.08 0.00 -0.15 0.00 0.00 54.97 55.01 1i1e s GLU 146 Cb 0.00 0.04 0.62 0.00 -0.44 0.00 0.00 34.13 34.35 1i1e s GLU 146 CO 0.00 -0.01 1.61 1.33 0.95 0.00 0.00 175.26 179.13 1i1e n VAL 147 N 1.96 2.46 -0.22 1.83 0.24 -1.26 -4.64 118.33 118.69 1i1e n VAL 147 Ca -0.12 -1.30 -0.01 0.00 -2.04 0.00 0.00 64.34 60.87 1i1e n VAL 147 Cb 0.57 -0.42 0.06 0.00 -1.47 0.00 0.00 33.84 32.57 1i1e n VAL 147 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1i1e h GLU 148 N 2.27 -0.03 -5.61 7.34 4.11 -1.95 -3.41 114.58 117.31 1i1e h GLU 148 Ca 0.21 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.96 1i1e h GLU 148 Cb 2.03 0.01 -0.29 0.00 0.50 0.00 0.00 28.75 31.00 1i1e h GLU 148 CO 0.60 -0.02 -0.82 1.03 0.07 0.00 0.00 179.01 179.87 1i1e s ARG 149 N -6.20 3.00 -0.03 1.06 0.52 -1.26 -5.01 118.95 111.03 1i1e s ARG 149 Ca -0.14 -0.78 -0.05 0.00 -0.52 0.00 0.00 55.73 54.23 1i1e s ARG 149 Cb 0.19 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 33.26 1i1e s ARG 149 CO 0.73 0.30 0.13 -1.59 0.02 0.00 0.00 175.30 174.88 1i1e s LYS 150 N 0.09 0.26 0.05 3.54 -2.85 -1.26 -1.14 119.74 118.42 1i1e s LYS 150 Ca -0.08 -0.03 0.08 0.00 -1.00 0.00 0.00 55.97 54.94 1i1e s LYS 150 Cb -0.15 0.11 -0.03 0.00 -2.06 0.00 0.00 37.83 35.70 1i1e s LYS 150 CO 0.05 -0.05 -0.21 0.21 0.10 0.00 0.00 175.35 175.45 1i1e s LYS 151 N -0.43 1.94 0.09 1.78 2.47 -0.69 -4.69 119.74 120.20 1i1e s LYS 151 Ca -0.05 -1.05 -0.09 0.00 -1.56 0.00 0.00 55.97 53.22 1i1e s LYS 151 Cb -0.03 -2.10 -0.06 0.00 -1.46 0.00 0.00 37.83 34.18 1i1e s LYS 151 CO 0.00 0.52 0.39 0.20 0.16 0.00 0.00 175.35 176.62 1i1e s GLY 152 N -1.43 2.31 0.05 5.54 0.00 -1.08 -1.19 107.32 111.53 1i1e s GLY 152 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1i1e s GLY 152 CO 0.04 -0.24 -0.04 -0.26 0.00 0.00 0.00 173.10 172.60 1i1e s ILE 153 N -1.44 0.34 0.29 0.90 -4.36 0.05 -0.64 121.20 116.34 1i1e s ILE 153 Ca 0.34 -1.59 -0.05 0.00 -0.26 0.00 0.00 60.65 59.09 1i1e s ILE 153 Cb -0.13 -1.22 -0.05 0.00 1.25 0.00 0.00 42.46 42.30 1i1e s ILE 153 CO 0.19 -0.81 0.55 -0.36 0.24 0.00 0.00 174.94 174.75 1i1e s PHE 154 N -3.11 3.48 -0.03 1.37 0.40 0.14 -1.51 117.98 118.71 1i1e s PHE 154 Ca 0.02 0.64 -0.26 0.00 -0.60 0.00 0.00 56.93 56.74 1i1e s PHE 154 Cb 0.02 -2.11 0.05 0.00 0.51 0.00 0.00 43.02 41.50 1i1e s PHE 154 CO -0.06 0.17 0.56 0.00 0.70 0.00 0.00 175.22 176.59 1i1e s ALA 155 N -2.08 -1.45 -0.21 5.36 0.00 -1.25 -4.88 121.76 117.25 1i1e s ALA 155 Ca 0.44 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 53.31 1i1e s ALA 155 Cb -0.11 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 22.96 1i1e s ALA 155 CO 0.30 -0.35 -0.24 0.09 0.00 0.00 0.00 175.76 175.56 1i1e n ASN 156 N 0.98 1.83 -3.88 0.00 4.13 0.15 -4.43 115.26 114.04 1i1e n ASN 156 Ca -0.20 0.14 -0.18 0.00 1.68 0.00 0.00 54.58 56.02 1i1e n ASN 156 Cb 0.57 -0.53 -0.16 0.00 -1.54 0.00 0.00 39.78 38.12 1i1e n ASN 156 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1i1e s LEU 157 N -6.83 1.44 -0.21 3.41 2.96 -0.55 -0.98 118.68 117.93 1i1e s LEU 157 Ca -0.29 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1i1e s LEU 157 Cb 0.10 -0.31 0.04 0.00 0.50 0.00 0.00 46.19 46.52 1i1e s LEU 157 CO 0.41 -0.04 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.64 1i1e s ILE 158 N 0.69 1.85 -0.31 6.68 1.01 -0.17 -0.10 121.20 130.85 1i1e s ILE 158 Ca -0.08 -1.12 -0.09 0.00 0.00 0.00 0.00 60.65 59.36 1i1e s ILE 158 Cb -0.11 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1i1e s ILE 158 CO -0.01 0.22 0.15 -0.63 0.00 0.00 0.00 174.94 174.68 1i1e s ILE 159 N 1.31 4.55 0.44 2.92 1.01 0.32 -1.43 121.20 130.32 1i1e s ILE 159 Ca -0.01 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1i1e s ILE 159 Cb -0.16 -3.33 0.08 0.00 0.01 0.00 0.00 42.46 39.06 1i1e s ILE 159 CO -0.09 0.06 0.60 0.49 0.00 0.00 0.00 174.94 176.01 1i1e n PHE 160 N 4.97 -2.83 -1.78 3.97 3.01 0.15 -0.41 117.46 124.55 1i1e n PHE 160 Ca -0.14 -1.28 -0.09 0.00 1.01 0.00 0.00 57.45 56.96 1i1e n PHE 160 Cb 0.49 -0.43 0.05 0.00 -0.01 0.00 0.00 39.48 39.59 1i1e n PHE 160 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i1e n GLY 161 N 0.10 -0.36 3.80 1.37 0.00 0.14 -2.34 105.19 107.91 1i1e n GLY 161 Ca 0.11 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 1i1e n GLY 161 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i1e s PRO 162 N -3.64 3.03 0.00 1.61 0.04 -1.11 -3.59 135.00 131.34 1i1e s PRO 162 Ca 0.23 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1i1e s PRO 162 Cb -0.01 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1i1e s PRO 162 CO 0.16 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1i1e n GLY 163 N -1.24 0.48 0.39 0.56 0.00 -1.26 -2.15 105.19 101.97 1i1e n GLY 163 Ca 0.09 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 1i1e n GLY 163 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1i1e h PRO 164 N 0.00 -0.12 -5.88 1.61 0.11 -1.88 -3.34 132.00 122.49 1i1e h PRO 164 Ca 0.00 0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.50 1i1e h PRO 164 Cb 0.00 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 31.02 1i1e h PRO 164 CO 0.00 -0.08 0.43 0.08 -0.21 0.00 0.00 178.00 178.21 1i1e s VAL 165 N -5.82 4.64 0.23 3.15 1.01 -1.26 -4.51 120.40 117.84 1i1e s VAL 165 Ca -0.14 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 1i1e s VAL 165 Cb 0.15 -4.31 0.22 0.00 0.00 0.00 0.00 36.38 32.44 1i1e s VAL 165 CO 0.67 -0.63 1.91 -0.07 0.00 0.00 0.00 175.10 176.97 1i1e h LEU 166 N 10.08 1.03 -1.41 3.92 3.38 -1.53 -2.47 115.31 128.30 1i1e h LEU 166 Ca -0.24 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1i1e h LEU 166 Cb 1.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1i1e h LEU 166 CO 0.96 0.74 0.00 -0.46 0.09 0.00 0.00 178.44 179.76 1i1e n ASN 167 N -4.47 1.95 -3.56 -0.43 6.94 -1.26 -4.42 115.26 110.01 1i1e n ASN 167 Ca 0.10 -2.18 -0.36 0.00 -0.02 0.00 0.00 54.58 52.12 1i1e n ASN 167 Cb 0.03 -0.41 -0.01 0.00 -2.36 0.00 0.00 39.78 37.02 1i1e n ASN 167 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1i1e n GLU 168 N 0.16 4.20 -1.83 -3.83 1.02 -0.93 -4.94 120.64 114.49 1i1e n GLU 168 Ca 0.08 -4.68 -0.40 0.00 -0.02 0.00 0.00 57.16 52.13 1i1e n GLU 168 Cb 0.41 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 1i1e n GLU 168 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1i1e s ASN 169 N -2.13 6.20 -0.14 1.62 0.01 -1.26 -4.87 114.94 114.37 1i1e s ASN 169 Ca 0.39 2.96 -0.18 0.00 -0.71 0.00 0.00 52.86 55.32 1i1e s ASN 169 Cb 0.16 -2.66 0.04 0.00 0.41 0.00 0.00 41.25 39.21 1i1e s ASN 169 CO -0.04 -0.96 0.47 -0.70 -1.51 0.00 0.00 177.10 174.36 1i1e s GLU 170 N -2.21 0.64 -0.21 -0.60 2.12 -0.96 -5.00 118.70 112.48 1i1e s GLU 170 Ca 0.56 0.46 -0.08 0.00 0.36 0.00 0.00 54.97 56.27 1i1e s GLU 170 Cb -0.45 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.21 1i1e s GLU 170 CO 0.59 -0.12 0.08 0.99 -0.54 0.00 0.00 175.26 176.26 1i1e s THR 171 N -0.20 4.68 -0.03 -1.70 2.01 -1.26 -1.40 115.64 117.73 1i1e s THR 171 Ca -0.04 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1i1e s THR 171 Cb -0.03 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1i1e s THR 171 CO 0.02 0.40 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.58 1i1e s ILE 172 N 0.93 3.11 0.34 1.82 1.01 0.15 -4.97 121.20 123.58 1i1e s ILE 172 Ca 0.04 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 59.99 1i1e s ILE 172 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1i1e s ILE 172 CO 0.03 0.54 0.13 1.51 0.00 0.00 0.00 174.94 177.15 1i1e s ASP 173 N -0.90 4.64 -0.23 3.58 -4.77 -1.26 -0.71 116.67 117.02 1i1e s ASP 173 Ca 0.13 -0.79 -0.14 0.00 -3.30 0.00 0.00 52.55 48.44 1i1e s ASP 173 Cb -0.11 -0.71 -0.04 0.00 -1.09 0.00 0.00 42.92 40.97 1i1e s ASP 173 CO 0.02 -0.30 0.34 -0.63 0.70 0.00 0.00 175.17 175.30 1i1e s ILE 174 N -2.43 5.23 -0.10 2.11 1.01 -1.26 -4.99 121.20 120.77 1i1e s ILE 174 Ca 0.38 0.55 -0.02 0.00 0.00 0.00 0.00 60.65 61.55 1i1e s ILE 174 Cb -0.02 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1i1e s ILE 174 CO 0.22 0.24 -0.01 -0.83 0.00 0.00 0.00 174.94 174.57 1i1e s GLY 175 N 1.24 1.82 -0.05 6.18 0.00 -1.26 -4.14 107.32 111.11 1i1e s GLY 175 Ca 0.15 -0.81 -0.02 0.00 0.00 0.00 0.00 44.72 44.04 1i1e s GLY 175 CO 0.08 -0.48 0.04 -0.42 0.00 0.00 0.00 173.10 172.32 1i1e s ILE 176 N -0.63 0.06 -1.25 0.90 1.01 0.19 -0.33 121.20 121.15 1i1e s ILE 176 Ca 0.10 0.30 -0.01 0.00 0.00 0.00 0.00 60.65 61.04 1i1e s ILE 176 Cb -0.12 -0.27 -0.00 0.00 0.01 0.00 0.00 42.46 42.08 1i1e s ILE 176 CO 0.02 0.20 0.82 0.00 0.00 0.00 0.00 174.94 175.97 1i1e n GLN 177 N 5.11 -5.24 -0.78 2.79 6.02 -1.26 -2.22 117.38 121.80 1i1e n GLN 177 Ca -0.07 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 1i1e n GLN 177 Cb 0.50 -5.41 0.00 0.00 1.02 0.00 0.00 30.24 26.35 1i1e n GLN 177 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1i1e n ASN 178 N -3.08 -1.80 -4.41 1.08 5.03 -1.26 -4.96 115.26 105.86 1i1e n ASN 178 Ca -0.28 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 54.91 1i1e n ASN 178 Cb 0.67 -2.01 -0.12 0.00 -1.02 0.00 0.00 39.78 37.30 1i1e n ASN 178 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1i1e s HIS 179 N -1.72 2.20 -0.20 3.10 3.76 -0.94 -5.11 115.29 116.37 1i1e s HIS 179 Ca 0.00 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.55 1i1e s HIS 179 Cb 0.00 -1.09 0.04 0.00 1.11 0.00 0.00 32.58 32.64 1i1e s HIS 179 CO 0.00 0.47 -0.15 -0.06 -0.85 0.00 0.00 174.74 174.15 1i1e s PHE 180 N -1.76 2.83 0.44 1.40 0.40 -1.26 -0.64 117.98 119.40 1i1e s PHE 180 Ca 0.20 -1.82 0.18 0.00 -0.60 0.00 0.00 56.93 54.89 1i1e s PHE 180 Cb -0.07 -1.86 1.12 0.00 0.51 0.00 0.00 43.02 42.72 1i1e s PHE 180 CO 0.09 -0.81 2.01 0.00 0.70 0.00 0.00 175.22 177.22 1i1e h ALA 181 N 7.90 1.59 0.00 5.36 0.00 -1.87 -0.99 119.26 131.25 1i1e h ALA 181 Ca -0.34 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1i1e h ALA 181 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1i1e h ALA 181 CO 0.55 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.88 1i1e n SER 182 N -4.15 0.00 0.00 0.00 3.41 -1.26 -0.63 113.62 110.99 1i1e n SER 182 Ca -0.02 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1i1e n SER 182 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1i1e n SER 182 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1i1e n ARG 183 N -0.78 1.13 -2.21 4.33 1.74 -0.39 -2.57 116.66 117.92 1i1e n ARG 183 Ca 0.11 -0.91 -0.04 0.00 -0.77 0.00 0.00 57.85 56.24 1i1e n ARG 183 Cb 0.05 -0.85 0.05 0.00 -1.02 0.00 0.00 32.46 30.69 1i1e n ARG 183 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1i1e n GLU 184 N -0.23 1.78 0.00 5.56 1.02 -1.04 -4.54 120.64 123.19 1i1e n GLU 184 Ca 0.00 -3.34 0.00 0.00 -0.02 0.00 0.00 57.16 53.80 1i1e n GLU 184 Cb 0.24 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1i1e n GLU 184 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i1e n GLY 185 N -0.45 2.96 0.08 0.62 0.00 -0.04 -4.87 105.19 103.49 1i1e n GLY 185 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1i1e n GLY 185 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1i1e h PHE 186 N 0.00 0.17 0.00 1.61 -1.00 -1.74 -3.39 116.94 112.59 1i1e h PHE 186 Ca 0.00 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.69 1i1e h PHE 186 Cb 0.00 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1i1e h PHE 186 CO 0.00 0.91 0.00 0.41 -1.61 0.00 0.00 178.31 178.02 1i1e n GLY 187 N 1.10 -0.13 3.56 -1.45 0.00 0.19 -1.27 105.19 107.18 1i1e n GLY 187 Ca -0.10 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 1i1e n GLY 187 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i1e s GLY 188 N -2.09 -0.42 -0.15 -0.02 0.00 -1.21 -4.19 107.32 99.23 1i1e s GLY 188 Ca 0.00 0.74 -0.39 0.00 0.00 0.00 0.00 44.72 45.07 1i1e s GLY 188 CO 0.00 0.24 1.59 1.39 0.00 0.00 0.00 173.10 176.32 1i1e n ILE 189 N -0.31 0.19 -3.89 0.90 5.41 -0.40 -4.60 119.36 116.66 1i1e n ILE 189 Ca -0.09 -0.03 -0.33 0.00 1.00 0.00 0.00 62.75 63.30 1i1e n ILE 189 Cb 0.62 -1.05 -0.05 0.00 -0.71 0.00 0.00 39.64 38.45 1i1e n ILE 189 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1i1e s MET 190 N 2.41 3.45 0.20 0.38 -1.94 -0.15 -4.16 119.30 119.49 1i1e s MET 190 Ca 0.94 -0.32 0.08 0.00 -1.71 0.00 0.00 55.69 54.68 1i1e s MET 190 Cb -1.04 -3.08 -0.05 0.00 2.01 0.00 0.00 34.83 32.67 1i1e s MET 190 CO 0.59 0.66 -0.16 -0.65 -0.01 0.00 0.00 175.02 175.45 1i1e s GLN 191 N -2.03 1.35 -0.04 2.03 -0.21 0.11 -1.00 119.66 119.88 1i1e s GLN 191 Ca 0.29 -1.57 -0.13 0.00 0.02 0.00 0.00 55.36 53.97 1i1e s GLN 191 Cb -0.13 -1.24 0.02 0.00 1.00 0.00 0.00 33.01 32.66 1i1e s GLN 191 CO 0.20 0.22 0.29 1.41 -2.12 0.00 0.00 175.29 175.29 1i1e s MET 192 N -3.42 0.57 -0.25 2.91 1.75 -0.52 0.31 119.30 120.65 1i1e s MET 192 Ca 0.22 -0.06 -0.01 0.00 -1.25 0.00 0.00 55.69 54.58 1i1e s MET 192 Cb -0.02 0.26 0.03 0.00 2.84 0.00 0.00 34.83 37.93 1i1e s MET 192 CO 0.08 -0.14 -0.07 -1.59 -0.65 0.00 0.00 175.02 172.65 1i1e s LYS 193 N -0.97 2.76 0.03 4.11 -2.85 -0.50 0.31 119.74 122.63 1i1e s LYS 193 Ca -0.10 -1.02 0.04 0.00 -1.00 0.00 0.00 55.97 53.88 1i1e s LYS 193 Cb -0.05 -2.98 -0.02 0.00 -2.06 0.00 0.00 37.83 32.73 1i1e s LYS 193 CO 0.03 -0.42 -0.11 0.12 0.10 0.00 0.00 175.35 175.07 1i1e s PHE 194 N 1.30 0.94 -0.10 1.78 5.36 -0.99 -2.26 117.98 124.02 1i1e s PHE 194 Ca -0.01 -0.33 -0.02 0.00 -0.96 0.00 0.00 56.93 55.62 1i1e s PHE 194 Cb -0.17 -0.57 0.04 0.00 -0.34 0.00 0.00 43.02 41.98 1i1e s PHE 194 CO -0.05 -0.00 0.02 0.00 -1.46 0.00 0.00 175.22 173.73 1i1e h PRO 196 N 8.33 0.00 -0.09 0.00 0.13 -1.96 -3.39 132.00 135.03 1i1e h PRO 196 Ca -0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 1i1e h PRO 196 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1i1e h PRO 196 CO 0.26 0.49 -0.29 0.93 -0.23 0.00 0.00 178.00 179.16 1i1e h GLU 197 N 0.00 0.35 -4.88 0.86 3.07 -1.95 -3.42 114.58 108.61 1i1e h GLU 197 Ca -0.10 -0.26 -0.69 0.00 -0.50 0.00 0.00 59.36 57.80 1i1e h GLU 197 Cb 1.60 0.05 -0.19 0.00 -0.84 0.00 0.00 28.75 29.37 1i1e h GLU 197 CO 0.07 0.89 0.49 0.71 -1.40 0.00 0.00 179.01 179.77 1i1e s TYR 198 N -3.76 3.07 0.24 4.33 1.51 -1.26 -0.79 117.35 120.68 1i1e s TYR 198 Ca -0.14 -1.17 0.06 0.00 -1.01 0.00 0.00 57.07 54.81 1i1e s TYR 198 Cb 0.04 -4.16 -0.03 0.00 -0.11 0.00 0.00 41.96 37.70 1i1e s TYR 198 CO 0.77 -1.41 0.29 0.14 -1.11 0.00 0.00 175.55 174.23 1i1e s VAL 199 N 2.68 4.93 0.70 0.71 -7.23 -0.80 -4.50 120.40 116.89 1i1e s VAL 199 Ca 0.23 -1.14 -0.13 0.00 -1.81 0.00 0.00 61.98 59.13 1i1e s VAL 199 Cb -0.13 -3.67 0.02 0.00 0.56 0.00 0.00 36.38 33.16 1i1e s VAL 199 CO -0.01 -0.32 1.09 -0.94 -0.31 0.00 0.00 175.10 174.61 1i1e s SER 200 N -3.88 4.96 -0.03 4.85 1.04 -1.26 -1.98 113.70 117.40 1i1e s SER 200 Ca 0.33 1.88 0.05 0.00 0.48 0.00 0.00 55.95 58.70 1i1e s SER 200 Cb -0.09 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 1i1e s SER 200 CO 0.27 -1.73 -0.20 -0.69 0.98 0.00 0.00 173.24 171.88 1i1e s VAL 201 N -2.64 1.58 0.04 5.02 1.01 -1.26 -1.62 120.40 122.54 1i1e s VAL 201 Ca 0.63 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1i1e s VAL 201 Cb -0.18 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1i1e s VAL 201 CO 0.48 0.45 -0.06 0.72 0.00 0.00 0.00 175.10 176.70 1i1e s PHE 202 N -0.25 0.55 -0.17 5.22 -0.12 -0.57 -3.49 117.98 119.15 1i1e s PHE 202 Ca 0.02 -0.63 -0.01 0.00 -0.05 0.00 0.00 56.93 56.27 1i1e s PHE 202 Cb -0.10 -0.35 0.05 0.00 -0.63 0.00 0.00 43.02 41.99 1i1e s PHE 202 CO 0.01 -0.16 -0.02 0.54 -0.05 0.00 0.00 175.22 175.54 1i1e s ASN 203 N -1.88 2.80 0.10 1.98 2.20 -1.26 -0.69 114.94 118.19 1i1e s ASN 203 Ca -0.07 -0.69 -0.31 0.00 -0.94 0.00 0.00 52.86 50.85 1i1e s ASN 203 Cb -0.06 -0.80 -0.10 0.00 -2.00 0.00 0.00 41.25 38.30 1i1e s ASN 203 CO -0.02 -0.22 1.80 0.54 -2.94 0.00 0.00 177.10 176.26 1i1e s ASN 204 N 1.71 6.47 0.01 3.54 4.22 -1.26 -4.96 114.94 124.68 1i1e s ASN 204 Ca 0.00 2.67 -0.11 0.00 -2.14 0.00 0.00 52.86 53.29 1i1e s ASN 204 Cb -0.16 -2.56 -0.06 0.00 1.28 0.00 0.00 41.25 39.75 1i1e s ASN 204 CO -0.07 -0.98 0.96 0.58 -2.04 0.00 0.00 177.10 175.55 1i1e h VAL 205 N 4.85 0.00 0.00 3.54 2.07 -2.00 -3.12 116.25 121.59 1i1e h VAL 205 Ca -0.45 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1i1e h VAL 205 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1i1e h VAL 205 CO 0.94 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.53 1i1e n GLN 206 N -3.23 0.13 -4.37 1.57 1.13 -1.26 -4.73 117.38 106.63 1i1e n GLN 206 Ca -0.05 0.19 -0.24 0.00 -1.94 0.00 0.00 57.00 54.96 1i1e n GLN 206 Cb 0.15 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 28.92 1i1e n GLN 206 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1i1e s GLU 207 N -2.53 2.02 -0.02 -1.09 2.02 -1.18 -5.00 118.70 112.92 1i1e s GLU 207 Ca 0.08 -1.55 -0.03 0.00 0.02 0.00 0.00 54.97 53.50 1i1e s GLU 207 Cb 0.06 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 1i1e s GLU 207 CO 0.13 0.36 0.17 -0.80 0.02 0.00 0.00 175.26 175.14 1i1e s ASN 208 N -3.53 6.33 -0.88 -0.19 0.02 -1.26 -4.68 114.94 110.74 1i1e s ASN 208 Ca 0.30 0.34 0.01 0.00 -1.02 0.00 0.00 52.86 52.49 1i1e s ASN 208 Cb -0.06 -1.98 0.31 0.00 0.02 0.00 0.00 41.25 39.53 1i1e s ASN 208 CO 0.17 0.28 1.36 2.29 0.02 0.00 0.00 177.10 181.22 1i1e n LYS 209 N 1.05 4.22 -0.03 -0.60 -0.00 -1.26 -4.42 118.16 117.12 1i1e n LYS 209 Ca -0.12 -4.68 0.00 0.00 -0.00 0.00 0.00 58.31 53.51 1i1e n LYS 209 Cb 0.53 -2.40 0.00 0.00 -0.00 0.00 0.00 35.03 33.16 1i1e n LYS 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i1e n GLY 210 N 0.45 0.41 3.55 2.58 0.00 -1.26 -4.40 105.19 106.52 1i1e n GLY 210 Ca 0.35 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 1i1e n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1e n ALA 211 N -1.91 -2.65 -3.19 4.61 0.00 -1.26 -5.01 120.51 111.11 1i1e n ALA 211 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.29 1i1e n ALA 211 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 1i1e n ALA 211 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i1e s SER 212 N -3.12 -0.22 0.51 0.00 0.15 -1.26 -4.95 113.70 104.81 1i1e s SER 212 Ca 0.12 0.20 0.33 0.00 0.70 0.00 0.00 55.95 57.30 1i1e s SER 212 Cb -0.05 1.21 1.38 0.00 -1.71 0.00 0.00 66.02 66.85 1i1e s SER 212 CO 0.85 -0.04 1.96 0.16 1.20 0.00 0.00 173.24 177.37 1i1e h ILE 213 N 5.17 0.00 0.00 6.45 3.07 -1.94 -3.10 117.51 127.16 1i1e h ILE 213 Ca -0.12 -0.42 -0.08 0.00 1.55 0.00 0.00 64.86 65.79 1i1e h ILE 213 Cb 1.15 1.37 -0.01 0.00 -0.27 0.00 0.00 36.82 39.06 1i1e h ILE 213 CO -0.08 0.00 -0.48 -0.26 -1.05 0.00 0.00 178.15 176.28 1i1e h PHE 214 N 0.00 0.00 -1.85 0.16 -1.00 -1.96 -3.46 116.94 108.83 1i1e h PHE 214 Ca 0.00 0.00 -0.43 0.00 2.81 0.00 0.00 57.97 60.35 1i1e h PHE 214 Cb 0.44 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.04 1i1e h PHE 214 CO 0.00 0.35 -0.16 1.21 -1.61 0.00 0.00 178.31 178.10 1i1e s ASN 215 N -6.27 5.46 0.47 2.17 3.84 -1.17 -5.05 114.94 114.39 1i1e s ASN 215 Ca 0.04 -0.28 -0.24 0.00 0.21 0.00 0.00 52.86 52.59 1i1e s ASN 215 Cb 0.07 -0.69 -0.07 0.00 -0.55 0.00 0.00 41.25 40.01 1i1e s ASN 215 CO 0.73 -0.96 1.37 -0.13 -2.79 0.00 0.00 177.10 175.33 1i1e s ARG 216 N -4.54 3.56 0.08 0.43 0.52 -1.26 -4.97 118.95 112.77 1i1e s ARG 216 Ca 0.56 2.29 0.07 0.00 -0.52 0.00 0.00 55.73 58.13 1i1e s ARG 216 Cb -0.10 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 1i1e s ARG 216 CO 0.36 -0.87 -0.19 -0.98 0.02 0.00 0.00 175.30 173.63 1i1e s ARG 217 N -2.58 1.12 0.00 3.54 1.70 -1.26 -3.89 118.95 117.59 1i1e s ARG 217 Ca 0.64 -1.04 0.00 0.00 -0.47 0.00 0.00 55.73 54.86 1i1e s ARG 217 Cb -0.41 -1.29 0.00 0.00 -0.57 0.00 0.00 34.95 32.68 1i1e s ARG 217 CO 0.51 0.31 0.00 0.41 -1.08 0.00 0.00 175.30 175.45 1i1e n GLY 218 N 1.39 -0.94 3.05 3.88 0.00 -1.26 -4.90 105.19 106.41 1i1e n GLY 218 Ca -0.19 -2.23 -0.15 0.00 0.00 0.00 0.00 46.02 43.44 1i1e n GLY 218 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1e s TYR 219 N -0.62 0.74 0.08 1.61 1.51 0.13 -1.77 117.35 119.04 1i1e s TYR 219 Ca 0.00 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1i1e s TYR 219 Cb 0.00 -0.45 -0.04 0.00 -0.11 0.00 0.00 41.96 41.36 1i1e s TYR 219 CO 0.00 -0.03 0.21 -0.59 -1.11 0.00 0.00 175.55 174.03 1i1e s PHE 220 N -0.90 3.47 0.37 2.71 -0.12 0.23 -1.51 117.98 122.24 1i1e s PHE 220 Ca -0.04 0.20 -0.21 0.00 -0.05 0.00 0.00 56.93 56.83 1i1e s PHE 220 Cb -0.07 -1.72 -0.10 0.00 -0.63 0.00 0.00 43.02 40.49 1i1e s PHE 220 CO 0.00 0.57 0.89 -1.12 -0.05 0.00 0.00 175.22 175.51 1i1e s SER 221 N -2.65 7.00 -0.46 1.98 0.01 -0.64 -4.77 113.70 114.18 1i1e s SER 221 Ca 0.34 1.62 -0.28 0.00 1.31 0.00 0.00 55.95 58.95 1i1e s SER 221 Cb -0.12 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.62 1i1e s SER 221 CO 0.27 -0.24 1.06 -0.62 0.41 0.00 0.00 173.24 174.12 1i1e s ASP 222 N -2.04 6.61 0.58 2.44 -1.08 -1.26 -4.85 116.67 117.07 1i1e s ASP 222 Ca 0.57 0.40 0.32 0.00 -0.52 0.00 0.00 52.55 53.31 1i1e s ASP 222 Cb -0.12 -2.51 1.39 0.00 -1.46 0.00 0.00 42.92 40.22 1i1e s ASP 222 CO 0.17 -1.15 1.73 1.55 0.52 0.00 0.00 175.17 177.98 1i1e h PRO 223 N 9.08 0.00 -0.43 4.34 0.13 -1.96 0.30 132.00 143.45 1i1e h PRO 223 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1i1e h PRO 223 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1i1e h PRO 223 CO 1.08 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.83 1i1e h ALA 224 N 1.22 1.16 -0.04 -0.56 0.00 -1.93 -0.27 119.26 118.83 1i1e h ALA 224 Ca 0.41 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 1i1e h ALA 224 Cb 2.01 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.63 1i1e h ALA 224 CO -0.00 0.54 -0.92 1.25 0.00 0.00 0.00 179.25 180.12 1i1e h LEU 225 N 0.67 0.77 -1.28 0.00 5.85 -0.82 -1.34 115.31 119.16 1i1e h LEU 225 Ca 0.13 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1i1e h LEU 225 Cb 0.44 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1i1e h LEU 225 CO 0.02 1.37 0.27 0.40 -0.34 0.00 0.00 178.44 180.16 1i1e h ILE 226 N 0.37 1.18 -0.18 4.05 2.04 -1.17 -0.21 117.51 123.60 1i1e h ILE 226 Ca -0.09 -0.50 -0.16 0.00 1.00 0.00 0.00 64.86 65.11 1i1e h ILE 226 Cb 1.56 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1i1e h ILE 226 CO 0.17 0.21 -0.51 0.25 0.00 0.00 0.00 178.15 178.27 1i1e h LEU 227 N 0.77 0.75 -1.60 1.44 5.85 -0.94 -2.86 115.31 118.72 1i1e h LEU 227 Ca 0.19 -0.59 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 1i1e h LEU 227 Cb 0.07 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1i1e h LEU 227 CO -0.03 1.21 -0.20 0.24 -0.34 0.00 0.00 178.44 179.32 1i1e h MET 228 N 0.34 0.00 -0.36 1.25 2.86 -0.74 0.16 114.93 118.44 1i1e h MET 228 Ca -0.01 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1i1e h MET 228 Cb 1.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1i1e h MET 228 CO 0.11 0.20 -0.13 1.25 1.06 0.00 0.00 176.91 179.39 1i1e h HIS 229 N 0.00 0.83 -0.43 -0.22 -0.00 -0.96 -1.30 115.15 113.07 1i1e h HIS 229 Ca -0.00 -0.19 -0.13 0.00 -0.00 0.00 0.00 60.37 60.04 1i1e h HIS 229 Cb 0.49 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1i1e h HIS 229 CO 0.00 0.90 -0.24 0.93 -0.00 0.00 0.00 177.93 179.53 1i1e h GLU 230 N 0.52 0.93 -0.26 5.26 4.39 -1.12 -2.93 114.58 121.37 1i1e h GLU 230 Ca 0.09 -0.42 0.02 0.00 0.34 0.00 0.00 59.36 59.38 1i1e h GLU 230 Cb 0.66 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1i1e h GLU 230 CO 0.05 1.08 0.17 -0.07 -1.16 0.00 0.00 179.01 179.07 1i1e h LEU 231 N 0.76 0.24 -0.98 1.33 3.38 -0.52 0.61 115.31 120.13 1i1e h LEU 231 Ca 0.09 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1i1e h LEU 231 Cb 0.81 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1i1e h LEU 231 CO 0.07 0.17 -0.08 0.40 0.09 0.00 0.00 178.44 179.09 1i1e h ILE 232 N 0.29 1.24 -0.46 1.22 2.04 -1.05 0.13 117.51 120.92 1i1e h ILE 232 Ca 0.10 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 1i1e h ILE 232 Cb 0.06 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1i1e h ILE 232 CO -0.02 0.35 -0.03 0.45 0.00 0.00 0.00 178.15 178.90 1i1e h HIS 233 N 0.60 0.92 -0.20 1.37 3.86 -0.88 -1.63 115.15 119.19 1i1e h HIS 233 Ca 0.11 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1i1e h HIS 233 Cb 0.50 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 1i1e h HIS 233 CO 0.02 0.89 0.02 0.28 0.86 0.00 0.00 177.93 180.00 1i1e h VAL 234 N 0.68 0.88 -0.33 2.45 2.07 -0.66 0.83 116.25 122.16 1i1e h VAL 234 Ca 0.13 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1i1e h VAL 234 Cb 0.55 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1i1e h VAL 234 CO 0.03 0.02 -0.09 0.25 0.02 0.00 0.00 177.57 177.79 1i1e h LEU 235 N 0.09 -0.34 -0.48 2.57 5.85 -0.55 0.40 115.31 122.85 1i1e h LEU 235 Ca 0.09 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1i1e h LEU 235 Cb 0.10 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1i1e h LEU 235 CO -0.14 -0.12 0.27 0.45 -0.34 0.00 0.00 178.44 178.56 1i1e h HIS 236 N -0.02 0.51 -0.49 1.25 3.86 -0.77 -1.88 115.15 117.62 1i1e h HIS 236 Ca 0.16 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1i1e h HIS 236 Cb 0.26 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1i1e h HIS 236 CO -0.32 0.29 -0.03 0.78 0.86 0.00 0.00 177.93 179.51 1i1e h GLY 237 N 0.55 0.90 1.39 2.45 0.00 0.22 -1.12 103.07 107.45 1i1e h GLY 237 Ca 0.19 -0.63 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 1i1e h GLY 237 CO -0.10 0.58 -0.17 1.41 0.00 0.00 0.00 176.54 178.26 1i1e h LEU 238 N 0.77 0.72 -0.92 3.11 3.38 0.17 -2.27 115.31 120.26 1i1e h LEU 238 Ca 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1i1e h LEU 238 Cb 0.51 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1i1e h LEU 238 CO 0.03 0.89 0.00 -1.22 0.09 0.00 0.00 178.44 178.23 1i1e n TYR 239 N -4.14 0.23 -3.33 1.13 4.02 -0.74 -3.98 117.16 110.35 1i1e n TYR 239 Ca 0.01 -0.11 -0.23 0.00 -0.01 0.00 0.00 57.90 57.55 1i1e n TYR 239 Cb 0.39 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.77 1i1e n TYR 239 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i1e n GLY 240 N 1.02 -0.51 0.01 2.72 0.00 -0.86 -4.59 105.19 102.99 1i1e n GLY 240 Ca 0.14 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.35 1i1e n GLY 240 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1i1e n ILE 241 N -4.76 1.09 -0.82 -0.61 -5.35 -0.47 -0.86 119.36 107.59 1i1e n ILE 241 Ca -0.04 -1.14 -0.08 0.00 -0.27 0.00 0.00 62.75 61.21 1i1e n ILE 241 Cb 0.59 0.41 -0.12 0.00 -1.74 0.00 0.00 39.64 38.78 1i1e n ILE 241 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1i1e n LYS 242 N -0.61 1.63 -1.05 6.28 4.81 -1.06 -4.92 118.16 123.24 1i1e n LYS 242 Ca 0.02 -0.69 -0.31 0.00 -0.87 0.00 0.00 58.31 56.46 1i1e n LYS 242 Cb 0.31 -1.72 0.12 0.00 0.02 0.00 0.00 35.03 33.75 1i1e n LYS 242 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1i1e s VAL 243 N 0.86 2.85 0.22 3.15 -7.23 -1.26 -4.67 120.40 114.32 1i1e s VAL 243 Ca 0.46 0.28 0.06 0.00 -1.81 0.00 0.00 61.98 60.97 1i1e s VAL 243 Cb 0.22 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 1i1e s VAL 243 CO 0.00 -0.36 0.22 -1.81 -0.31 0.00 0.00 175.10 172.84 1i1e s ASP 244 N -3.13 5.75 0.00 4.85 1.11 -1.26 -4.67 116.67 119.32 1i1e s ASP 244 Ca 0.63 -0.12 0.00 0.00 0.18 0.00 0.00 52.55 53.25 1i1e s ASP 244 Cb -0.19 -1.55 0.00 0.00 1.07 0.00 0.00 42.92 42.25 1i1e s ASP 244 CO 0.57 -0.01 0.00 -0.67 1.18 0.00 0.00 175.17 176.24 1i1e n ASP 245 N -0.93 0.00 -4.64 0.27 -0.08 -1.26 -4.99 116.55 104.92 1i1e n ASP 245 Ca -0.08 -0.52 -0.42 0.00 -1.51 0.00 0.00 54.79 52.25 1i1e n ASP 245 Cb 0.56 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.00 1i1e n ASP 245 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1i1e s LEU 246 N 0.00 4.07 0.71 -2.67 2.96 -1.26 -4.92 118.68 117.57 1i1e s LEU 246 Ca 0.00 2.29 -0.04 0.00 -0.22 0.00 0.00 54.13 56.16 1i1e s LEU 246 Cb 0.00 -3.52 0.09 0.00 0.50 0.00 0.00 46.19 43.26 1i1e s LEU 246 CO 0.00 -1.34 1.00 -2.16 -1.32 0.00 0.00 176.35 172.53 1i1e s PRO 247 N 5.01 1.90 -0.34 0.98 0.04 -1.26 -4.69 135.00 136.64 1i1e s PRO 247 Ca 0.89 -0.65 -0.17 0.00 0.04 0.00 0.00 61.00 61.12 1i1e s PRO 247 Cb -0.37 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 1i1e s PRO 247 CO 0.37 -1.35 0.45 0.42 0.04 0.00 0.00 177.00 176.93 1i1e s ILE 248 N -3.20 5.08 -0.06 0.56 -1.09 -0.46 -4.35 121.20 117.68 1i1e s ILE 248 Ca 0.63 0.24 0.01 0.00 -2.23 0.00 0.00 60.65 59.30 1i1e s ILE 248 Cb -0.08 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 1i1e s ILE 248 CO 0.44 -0.15 -0.07 0.68 -1.23 0.00 0.00 174.94 174.61 1i1e s VAL 249 N 2.23 3.67 0.22 2.92 -7.23 -1.26 -1.27 120.40 119.67 1i1e s VAL 249 Ca 0.16 -0.51 -0.18 0.00 -1.81 0.00 0.00 61.98 59.64 1i1e s VAL 249 Cb -0.16 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 1i1e s VAL 249 CO 0.12 0.59 0.70 -2.16 -0.31 0.00 0.00 175.10 174.04 1i1e s PRO 250 N -0.83 4.19 -0.01 4.82 0.04 -1.26 -0.16 135.00 141.79 1i1e s PRO 250 Ca 0.13 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 1i1e s PRO 250 Cb -0.11 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 1i1e s PRO 250 CO 0.02 0.39 1.11 1.21 0.04 0.00 0.00 177.00 179.76 1i1e s ASN 251 N -1.71 7.18 -0.14 6.66 3.84 0.55 -4.61 114.94 126.72 1i1e s ASN 251 Ca 0.43 1.79 0.15 0.00 0.21 0.00 0.00 52.86 55.44 1i1e s ASN 251 Cb -0.16 -2.57 0.34 0.00 -0.55 0.00 0.00 41.25 38.31 1i1e s ASN 251 CO 0.20 -0.43 1.17 -0.62 -2.79 0.00 0.00 177.10 174.63 1i1e n GLU 252 N 4.37 1.13 0.09 0.43 1.02 -1.26 -4.56 120.64 121.86 1i1e n GLU 252 Ca 0.08 -2.67 -0.06 0.00 -0.02 0.00 0.00 57.16 54.50 1i1e n GLU 252 Cb 0.48 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1i1e n GLU 252 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1i1e h LYS 253 N 0.57 0.04 -6.06 3.49 1.57 -1.94 -3.45 116.57 110.80 1i1e h LYS 253 Ca -0.03 -0.05 -0.58 0.00 -1.87 0.00 0.00 60.65 58.12 1i1e h LYS 253 Cb 1.16 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 1i1e h LYS 253 CO 0.01 0.86 -0.51 0.15 -0.57 0.00 0.00 179.45 179.40 1i1e s LYS 254 N -3.12 3.28 0.44 3.15 -0.14 -1.26 -5.01 119.74 117.08 1i1e s LYS 254 Ca -0.01 -0.62 0.30 0.00 -1.36 0.00 0.00 55.97 54.29 1i1e s LYS 254 Cb 0.11 -2.90 1.32 0.00 -1.68 0.00 0.00 37.83 34.68 1i1e s LYS 254 CO 0.80 0.54 1.90 0.27 -0.76 0.00 0.00 175.35 178.11 1i1e h PHE 255 N 2.56 0.00 -0.02 3.18 -5.15 -1.99 -2.73 116.94 112.79 1i1e h PHE 255 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 1i1e h PHE 255 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.35 1i1e h PHE 255 CO 0.57 0.00 -0.07 1.97 -2.00 0.00 0.00 178.31 178.78 1i1e n PHE 256 N -2.72 0.00 -3.09 6.09 1.16 -1.26 -4.91 117.46 112.74 1i1e n PHE 256 Ca 0.01 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.19 1i1e n PHE 256 Cb 0.23 -0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 38.04 1i1e n PHE 256 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1i1e s MET 257 N -2.09 4.41 0.11 3.97 -1.94 -1.03 -1.26 119.30 121.47 1i1e s MET 257 Ca 0.31 0.89 -0.31 0.00 -1.71 0.00 0.00 55.69 54.87 1i1e s MET 257 Cb 0.20 -3.38 -0.08 0.00 2.01 0.00 0.00 34.83 33.59 1i1e s MET 257 CO 0.36 0.26 1.34 -1.14 -0.01 0.00 0.00 175.02 175.83 1i1e s GLN 258 N 0.09 4.35 -0.10 2.03 0.74 0.34 -4.82 119.66 122.29 1i1e s GLN 258 Ca 0.35 2.01 -0.11 0.00 0.05 0.00 0.00 55.36 57.65 1i1e s GLN 258 Cb -0.19 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.61 1i1e s GLN 258 CO 0.19 -0.37 0.26 -1.12 -0.55 0.00 0.00 175.29 173.70 1i1e s SER 259 N 1.00 6.51 0.11 6.67 0.01 -1.26 -4.72 113.70 122.02 1i1e s SER 259 Ca 0.62 0.60 -0.26 0.00 1.31 0.00 0.00 55.95 58.22 1i1e s SER 259 Cb -0.35 -2.16 0.08 0.00 0.21 0.00 0.00 66.02 63.80 1i1e s SER 259 CO 0.31 0.28 1.05 0.28 0.41 0.00 0.00 173.24 175.57 1i1e s THR 260 N -0.50 0.00 0.73 1.44 -1.32 -1.26 -4.79 115.64 109.95 1i1e s THR 260 Ca 0.17 -0.55 -0.14 0.00 -1.21 0.00 0.00 61.69 59.96 1i1e s THR 260 Cb -0.14 -2.02 0.04 0.00 -1.51 0.00 0.00 72.50 68.88 1i1e s THR 260 CO 0.06 0.00 1.17 -1.81 -2.21 0.00 0.00 174.62 171.83 1i1e s ASP 261 N -2.97 4.31 0.29 8.08 1.01 -1.26 -4.68 116.67 121.46 1i1e s ASP 261 Ca 0.13 2.21 -0.29 0.00 0.71 0.00 0.00 52.55 55.31 1i1e s ASP 261 Cb 0.00 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 1i1e s ASP 261 CO 0.01 -2.17 1.34 0.00 0.21 0.00 0.00 175.17 174.55 1i1e s ALA 262 N -2.21 3.53 -0.33 5.23 0.00 -1.26 -4.82 121.76 121.90 1i1e s ALA 262 Ca 0.71 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 53.82 1i1e s ALA 262 Cb -0.25 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.38 1i1e s ALA 262 CO 0.46 -0.65 0.17 0.42 0.00 0.00 0.00 175.76 176.16 1i1e s ILE 263 N -0.67 4.53 0.47 0.00 1.01 -0.40 -4.92 121.20 121.23 1i1e s ILE 263 Ca 0.53 -0.62 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 1i1e s ILE 263 Cb -0.40 -3.40 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 1i1e s ILE 263 CO 0.48 -0.05 1.01 -1.10 0.00 0.00 0.00 174.94 175.29 1i1e s GLN 264 N 1.58 3.93 0.34 2.79 -1.52 -1.26 -1.35 119.66 124.17 1i1e s GLN 264 Ca 0.03 1.30 0.08 0.00 -1.95 0.00 0.00 55.36 54.83 1i1e s GLN 264 Cb -0.18 -2.14 0.79 0.00 -0.22 0.00 0.00 33.01 31.27 1i1e s GLN 264 CO 0.06 -0.31 1.84 0.00 -0.25 0.00 0.00 175.29 176.64 1i1e h ALA 265 N 1.70 1.80 -0.62 6.09 0.00 -1.91 -0.67 119.26 125.65 1i1e h ALA 265 Ca -0.49 0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.58 1i1e h ALA 265 Cb 1.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1i1e h ALA 265 CO 0.60 -0.07 0.42 1.49 0.00 0.00 0.00 179.25 181.69 1i1e h GLU 266 N 0.72 0.23 -0.03 0.00 4.22 -1.93 0.38 114.58 118.17 1i1e h GLU 266 Ca 0.48 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.89 1i1e h GLU 266 Cb 0.77 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1i1e h GLU 266 CO -0.24 0.15 -0.06 1.49 -2.18 0.00 0.00 179.01 178.17 1i1e h GLU 267 N 0.23 0.09 -0.04 1.92 4.57 -1.50 -2.49 114.58 117.37 1i1e h GLU 267 Ca 0.30 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1i1e h GLU 267 Cb 0.84 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 1i1e h GLU 267 CO -0.06 0.65 -0.28 -0.07 -1.18 0.00 0.00 179.01 178.07 1i1e h LEU 268 N -0.46 0.07 -0.35 1.64 3.38 -1.32 -1.55 115.31 116.72 1i1e h LEU 268 Ca 0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1i1e h LEU 268 Cb 0.65 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1i1e h LEU 268 CO 0.01 0.35 -0.15 1.88 0.09 0.00 0.00 178.44 180.63 1i1e h TYR 269 N 0.06 0.81 -0.87 1.13 -1.99 -0.98 -1.13 116.97 114.01 1i1e h TYR 269 Ca 0.01 -0.20 0.01 0.00 2.00 0.00 0.00 58.73 60.55 1i1e h TYR 269 Cb 0.53 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 39.02 1i1e h TYR 269 CO 0.00 0.90 0.57 1.15 -0.00 0.00 0.00 178.16 180.79 1i1e h THR 270 N 0.49 1.22 -0.08 -2.88 2.02 -0.90 -2.74 112.91 110.04 1i1e h THR 270 Ca 0.08 -0.40 -0.16 0.00 0.77 0.00 0.00 66.41 66.70 1i1e h THR 270 Cb 0.68 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1i1e h THR 270 CO 0.05 0.21 -0.57 0.15 0.37 0.00 0.00 175.52 175.73 1i1e h PHE 271 N 1.17 0.73 0.00 3.16 3.57 -1.15 0.25 116.94 124.67 1i1e h PHE 271 Ca 0.32 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1i1e h PHE 271 Cb -0.12 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1i1e h PHE 271 CO -0.00 1.13 0.00 0.41 -2.23 0.00 0.00 178.31 177.62 1i1e n GLY 272 N 0.80 -1.15 7.00 2.40 0.00 -0.44 -1.04 105.19 112.75 1i1e n GLY 272 Ca -0.09 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1i1e n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i1e n GLY 273 N 0.00 2.09 0.15 -0.02 0.00 -1.26 -2.72 105.19 103.43 1i1e n GLY 273 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.50 1i1e n GLY 273 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1i1e h GLN 274 N 0.00 0.00 -0.99 1.61 3.07 -1.95 -3.34 115.11 113.51 1i1e h GLN 274 Ca 0.00 0.00 0.31 0.00 0.09 0.00 0.00 58.65 59.05 1i1e h GLN 274 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 27.41 1i1e h GLN 274 CO 0.00 0.52 0.53 -0.44 0.09 0.00 0.00 178.83 179.53 1i1e h ASP 275 N 0.00 0.46 -0.12 0.06 3.32 -1.80 0.26 116.42 118.60 1i1e h ASP 275 Ca -0.01 0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.27 1i1e h ASP 275 Cb 1.16 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1i1e h ASP 275 CO 0.07 -0.13 0.11 -0.65 -1.72 0.00 0.00 179.24 176.91 1i1e h PRO 276 N 0.32 0.00 0.00 3.56 0.11 -1.69 -1.11 132.00 133.18 1i1e h PRO 276 Ca 0.71 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.82 1i1e h PRO 276 Cb 1.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.71 1i1e h PRO 276 CO -0.61 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.61 1i1e n SER 277 N -4.13 0.17 -0.01 -2.05 7.64 0.92 -1.63 113.62 114.53 1i1e n SER 277 Ca -0.00 0.54 0.14 0.00 1.01 0.00 0.00 58.87 60.55 1i1e n SER 277 Cb 0.22 -0.58 0.55 0.00 -1.01 0.00 0.00 64.21 63.39 1i1e n SER 277 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1i1e n ILE 278 N -1.68 0.00 -3.53 0.44 5.41 -0.42 -3.58 119.36 116.00 1i1e n ILE 278 Ca 0.03 -0.01 -0.41 0.00 1.00 0.00 0.00 62.75 63.37 1i1e n ILE 278 Cb 0.20 -0.29 -0.11 0.00 -0.71 0.00 0.00 39.64 38.74 1i1e n ILE 278 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1i1e s ILE 279 N -2.91 5.09 0.69 1.39 -1.09 -0.65 -4.85 121.20 118.87 1i1e s ILE 279 Ca 0.16 -0.51 -0.17 0.00 -2.23 0.00 0.00 60.65 57.91 1i1e s ILE 279 Cb 0.19 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1i1e s ILE 279 CO 0.56 -0.15 1.14 0.35 -1.23 0.00 0.00 174.94 175.61 1i1e n THR 280 N 5.10 3.78 -0.06 2.92 -2.24 -1.26 -4.71 114.28 117.81 1i1e n THR 280 Ca -0.12 -0.42 0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1i1e n THR 280 Cb 0.48 -1.29 0.51 0.00 -2.10 0.00 0.00 70.33 67.93 1i1e n THR 280 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1i1e h PRO 281 N 0.09 0.37 0.39 -0.78 0.11 -1.85 0.76 132.00 131.09 1i1e h PRO 281 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1i1e h PRO 281 Cb 1.34 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1i1e h PRO 281 CO 0.50 0.24 -0.40 0.77 -0.21 0.00 0.00 178.00 178.90 1i1e h SER 282 N 0.38 -1.10 0.40 -2.05 0.02 -1.89 -1.64 113.55 107.67 1i1e h SER 282 Ca 0.26 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 1i1e h SER 282 Cb 0.52 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 1i1e h SER 282 CO -0.07 -0.55 -0.15 0.74 -1.14 0.00 0.00 176.83 175.67 1i1e h THR 283 N -0.82 0.65 -0.54 -2.27 2.02 -1.65 -1.45 112.91 108.85 1i1e h THR 283 Ca -0.03 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 1i1e h THR 283 Cb 0.73 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1i1e h THR 283 CO -0.07 0.14 0.26 0.44 0.37 0.00 0.00 175.52 176.66 1i1e h ASP 284 N 0.00 0.70 0.64 4.18 3.32 -0.17 -2.30 116.42 122.79 1i1e h ASP 284 Ca -0.00 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.76 1i1e h ASP 284 Cb 0.39 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1i1e h ASP 284 CO 0.02 0.63 -0.73 0.11 -1.72 0.00 0.00 179.24 177.55 1i1e h LYS 285 N 0.72 0.07 -0.00 3.56 1.57 -0.59 -1.36 116.57 120.54 1i1e h LYS 285 Ca 0.18 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1i1e h LYS 285 Cb 0.12 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1i1e h LYS 285 CO -0.02 0.77 -0.02 1.03 -0.57 0.00 0.00 179.45 180.63 1i1e h SER 286 N 0.05 -0.06 0.25 0.86 0.87 -1.00 0.88 113.55 115.39 1i1e h SER 286 Ca -0.01 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1i1e h SER 286 Cb 1.29 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1i1e h SER 286 CO 0.10 -0.03 -0.12 0.40 -0.53 0.00 0.00 176.83 176.65 1i1e h ILE 287 N -0.04 0.76 -0.50 2.23 2.04 -1.38 -0.93 117.51 119.70 1i1e h ILE 287 Ca 0.01 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1i1e h ILE 287 Cb 0.05 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 1i1e h ILE 287 CO -0.02 0.01 -0.52 0.22 0.00 0.00 0.00 178.15 177.84 1i1e h TYR 288 N -0.36 -1.61 -0.92 1.37 3.20 -0.93 0.26 116.97 117.99 1i1e h TYR 288 Ca -0.03 0.09 0.12 0.00 3.14 0.00 0.00 58.73 62.04 1i1e h TYR 288 Cb 0.28 0.77 -0.08 0.00 1.54 0.00 0.00 36.73 39.23 1i1e h TYR 288 CO -0.05 -0.43 0.54 -0.44 -1.64 0.00 0.00 178.16 176.14 1i1e h ASP 289 N -0.28 0.76 -0.85 -2.11 3.32 -0.64 -0.94 116.42 115.69 1i1e h ASP 289 Ca 0.08 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1i1e h ASP 289 Cb 0.51 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1i1e h ASP 289 CO -0.62 0.39 0.46 0.11 -1.72 0.00 0.00 179.24 177.86 1i1e h LYS 290 N 0.84 1.19 -0.25 3.56 1.57 0.41 -0.95 116.57 122.94 1i1e h LYS 290 Ca 0.47 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.92 1i1e h LYS 290 Cb 0.51 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1i1e h LYS 290 CO -0.29 0.87 -0.57 0.28 -0.57 0.00 0.00 179.45 179.18 1i1e h VAL 291 N 1.19 1.28 -0.70 0.50 2.07 -0.26 -2.32 116.25 118.01 1i1e h VAL 291 Ca 0.30 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 1i1e h VAL 291 Cb 0.03 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1i1e h VAL 291 CO -0.05 0.57 0.36 0.25 0.02 0.00 0.00 177.57 178.72 1i1e h LEU 292 N 0.59 0.90 -1.35 2.57 5.85 -0.98 -1.25 115.31 121.65 1i1e h LEU 292 Ca 0.00 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 1i1e h LEU 292 Cb 1.18 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1i1e h LEU 292 CO 0.12 0.76 -0.24 -0.61 -0.34 0.00 0.00 178.44 178.14 1i1e h GLN 293 N 0.98 0.13 -0.39 1.25 5.75 -1.10 -1.58 115.11 120.15 1i1e h GLN 293 Ca 0.24 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.58 1i1e h GLN 293 Cb 0.08 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1i1e h GLN 293 CO -0.03 0.37 -0.26 -0.91 -2.65 0.00 0.00 178.83 175.34 1i1e h ASN 294 N 0.12 0.90 0.46 -0.69 2.35 -0.79 -2.87 115.58 115.06 1i1e h ASN 294 Ca 0.02 -0.43 -0.04 0.00 -0.55 0.00 0.00 56.30 55.30 1i1e h ASN 294 Cb 0.50 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1i1e h ASN 294 CO 0.03 1.14 -0.17 -0.26 -1.65 0.00 0.00 177.43 176.52 1i1e h PHE 295 N 0.67 0.00 -0.17 1.19 -1.00 -0.62 -2.56 116.94 114.45 1i1e h PHE 295 Ca 0.08 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.66 1i1e h PHE 295 Cb 0.84 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.40 1i1e h PHE 295 CO 0.06 0.17 -0.69 0.00 -1.61 0.00 0.00 178.31 176.24 1i1e h ARG 296 N 0.00 0.70 -0.47 1.51 3.08 -1.10 -0.81 114.38 117.29 1i1e h ARG 296 Ca -0.00 -0.52 -0.11 0.00 0.07 0.00 0.00 59.98 59.42 1i1e h ARG 296 Cb 0.45 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1i1e h ARG 296 CO 0.02 1.14 -0.15 0.78 -1.07 0.00 0.00 179.97 180.69 1i1e h GLY 297 N 0.82 0.97 1.08 0.04 0.00 -1.31 -1.03 103.07 103.64 1i1e h GLY 297 Ca -0.03 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 46.39 1i1e h GLY 297 CO 0.14 0.72 -0.23 -2.22 0.00 0.00 0.00 176.54 174.95 1i1e h ILE 298 N 0.79 1.27 0.00 2.60 1.08 -1.41 -1.77 117.51 120.08 1i1e h ILE 298 Ca 0.12 -1.38 -0.07 0.00 -0.39 0.00 0.00 64.86 63.13 1i1e h ILE 298 Cb 0.69 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 1i1e h ILE 298 CO 0.05 0.47 -0.35 1.62 -0.69 0.00 0.00 178.15 179.25 1i1e h VAL 299 N 0.78 0.94 -0.03 1.67 3.04 -0.97 -2.12 116.25 119.55 1i1e h VAL 299 Ca 0.10 -1.37 -0.17 0.00 -1.01 0.00 0.00 66.70 64.25 1i1e h VAL 299 Cb 0.80 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.88 1i1e h VAL 299 CO 0.07 0.35 -0.73 -0.78 -1.01 0.00 0.00 177.57 175.46 1i1e h ASP 300 N 0.00 0.24 -0.42 3.17 3.58 -0.93 -3.09 116.42 118.98 1i1e h ASP 300 Ca -0.00 -0.17 -0.09 0.00 0.42 0.00 0.00 57.03 57.19 1i1e h ASP 300 Cb 0.78 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1i1e h ASP 300 CO 0.05 0.89 -0.09 0.03 -2.88 0.00 0.00 179.24 177.24 1i1e h ARG 301 N 0.13 0.81 -0.09 0.28 3.08 -0.80 -2.67 114.38 115.12 1i1e h ARG 301 Ca -0.02 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 59.75 1i1e h ARG 301 Cb 1.30 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1i1e h ARG 301 CO 0.11 0.92 0.07 -0.07 -1.07 0.00 0.00 179.97 179.93 1i1e h LEU 302 N 0.63 0.00 -0.11 3.04 3.38 -1.34 1.06 115.31 121.97 1i1e h LEU 302 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1i1e h LEU 302 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1i1e h LEU 302 CO 0.04 0.00 -0.16 0.59 0.09 0.00 0.00 178.44 179.00 1i1e n ASN 303 N -4.47 0.34 0.00 -0.43 3.02 -1.04 -4.12 115.26 108.56 1i1e n ASN 303 Ca -0.01 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1i1e n ASN 303 Cb 0.18 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1i1e n ASN 303 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1i1e n LYS 304 N -1.23 1.92 -1.71 3.52 5.02 0.61 -5.04 118.16 121.25 1i1e n LYS 304 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 1i1e n LYS 304 Cb 0.31 -0.84 -0.01 0.00 -0.02 0.00 0.00 35.03 34.47 1i1e n LYS 304 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1i1e n VAL 305 N -1.26 1.60 0.00 -0.18 3.14 0.33 -4.15 118.33 117.80 1i1e n VAL 305 Ca 0.00 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 1i1e n VAL 305 Cb 0.00 -1.67 0.00 0.00 -1.06 0.00 0.00 33.84 31.11 1i1e n VAL 305 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1i1e n LEU 306 N 1.27 0.28 -4.10 6.55 4.77 0.91 -4.98 117.00 121.70 1i1e n LEU 306 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 1i1e n LEU 306 Cb 0.35 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1i1e n LEU 306 CO 0.63 0.05 0.07 0.68 -1.33 0.00 0.00 177.39 177.48 1i1e s VAL 307 N -1.23 0.00 -0.28 4.08 -7.23 -1.13 -4.98 120.40 109.63 1i1e s VAL 307 Ca 0.00 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.48 1i1e s VAL 307 Cb 0.00 -2.50 0.10 0.00 0.56 0.00 0.00 36.38 34.53 1i1e s VAL 307 CO 0.00 0.00 0.13 0.00 -0.31 0.00 0.00 175.10 174.92 1i1e h ILE 309 N 6.40 1.33 -1.00 0.00 -2.65 -2.00 -3.24 117.51 116.36 1i1e h ILE 309 Ca -0.19 -1.29 0.19 0.00 1.03 0.00 0.00 64.86 64.60 1i1e h ILE 309 Cb 1.02 1.81 -0.11 0.00 -2.05 0.00 0.00 36.82 37.49 1i1e h ILE 309 CO 0.43 0.38 0.61 0.77 0.03 0.00 0.00 178.15 180.37 1i1e h SER 310 N 0.05 0.78 -2.95 2.16 4.64 -1.96 -3.37 113.55 112.90 1i1e h SER 310 Ca 0.03 0.10 -0.52 0.00 -0.47 0.00 0.00 61.79 60.93 1i1e h SER 310 Cb 0.67 -0.04 -0.40 0.00 -0.31 0.00 0.00 62.40 62.32 1i1e h SER 310 CO 0.04 0.27 -0.77 -0.62 -0.87 0.00 0.00 176.83 174.88 1i1e s ASP 311 N -5.41 3.27 0.27 4.97 2.15 -1.22 -4.75 116.67 115.95 1i1e s ASP 311 Ca -0.11 -1.14 0.20 0.00 0.43 0.00 0.00 52.55 51.93 1i1e s ASP 311 Cb 0.25 -0.42 1.02 0.00 -0.30 0.00 0.00 42.92 43.47 1i1e s ASP 311 CO 0.80 -0.40 1.61 -2.65 -0.17 0.00 0.00 175.17 174.36 1i1e n PRO 312 N 5.18 0.14 0.09 4.34 -0.02 -1.25 -2.03 135.00 141.46 1i1e n PRO 312 Ca -0.06 0.58 -0.01 0.00 -2.02 0.00 0.00 63.50 61.98 1i1e n PRO 312 Cb 0.44 -1.89 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 1i1e n PRO 312 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1i1e h ASN 313 N 0.00 0.00 -2.27 2.55 4.21 -1.93 -3.46 115.58 114.68 1i1e h ASN 313 Ca 0.00 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.93 1i1e h ASN 313 Cb 0.08 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 37.33 1i1e h ASN 313 CO 0.00 0.69 0.88 -0.38 -1.29 0.00 0.00 177.43 177.33 1i1e n ILE 314 N -3.21 0.13 -2.92 2.81 2.08 -0.86 -4.92 119.36 112.46 1i1e n ILE 314 Ca -0.01 -0.02 -0.43 0.00 0.56 0.00 0.00 62.75 62.85 1i1e n ILE 314 Cb 0.82 -1.66 -0.04 0.00 -0.75 0.00 0.00 39.64 38.01 1i1e n ILE 314 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1i1e s ASN 315 N 1.61 6.24 0.25 4.38 3.84 -1.26 -4.92 114.94 125.08 1i1e s ASN 315 Ca 0.81 -0.78 -0.05 0.00 0.21 0.00 0.00 52.86 53.06 1i1e s ASN 315 Cb -0.66 -2.39 0.50 0.00 -0.55 0.00 0.00 41.25 38.15 1i1e s ASN 315 CO 0.40 -1.25 1.65 0.40 -2.79 0.00 0.00 177.10 175.51 1i1e h ILE 316 N 5.97 0.37 0.34 -5.21 1.08 -1.93 -2.55 117.51 115.57 1i1e h ILE 316 Ca -0.28 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 1i1e h ILE 316 Cb 1.08 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 1i1e h ILE 316 CO 1.11 0.03 -0.16 0.78 -0.69 0.00 0.00 178.15 179.21 1i1e h ASN 317 N 0.16 -0.38 -0.79 1.72 2.35 -1.98 -2.27 115.58 114.38 1i1e h ASN 317 Ca 0.44 -0.08 0.19 0.00 -0.55 0.00 0.00 56.30 56.30 1i1e h ASN 317 Cb 0.81 0.10 -0.13 0.00 0.05 0.00 0.00 38.32 39.15 1i1e h ASN 317 CO -0.63 -0.15 0.15 0.40 -1.65 0.00 0.00 177.43 175.55 1i1e h ILE 318 N -0.61 0.39 -0.27 2.81 1.08 -1.89 -0.33 117.51 118.68 1i1e h ILE 318 Ca -0.05 -0.07 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 1i1e h ILE 318 Cb 0.44 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1i1e h ILE 318 CO 0.08 0.04 -0.23 1.88 -0.69 0.00 0.00 178.15 179.22 1i1e h TYR 319 N 0.20 0.76 -0.68 1.37 -1.99 -1.51 -1.59 116.97 113.53 1i1e h TYR 319 Ca 0.46 -0.22 0.13 0.00 2.00 0.00 0.00 58.73 61.10 1i1e h TYR 319 Cb 0.85 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 39.38 1i1e h TYR 319 CO -0.31 0.93 0.46 0.87 -0.00 0.00 0.00 178.16 180.11 1i1e h LYS 320 N 0.37 0.39 -0.00 4.88 1.57 -0.52 0.20 116.57 123.46 1i1e h LYS 320 Ca 0.05 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.58 1i1e h LYS 320 Cb 0.78 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1i1e h LYS 320 CO 0.06 0.26 -0.94 -0.91 -0.57 0.00 0.00 179.45 177.35 1i1e h ASN 321 N 0.40 0.54 -0.17 0.86 2.35 -0.89 -2.16 115.58 116.51 1i1e h ASN 321 Ca 0.33 -0.43 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1i1e h ASN 321 Cb 0.73 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1i1e h ASN 321 CO -0.10 1.23 -0.07 0.50 -1.65 0.00 0.00 177.43 177.34 1i1e h LYS 322 N 0.24 0.36 -0.28 0.81 1.63 0.18 -2.39 116.57 117.12 1i1e h LYS 322 Ca -0.08 -0.15 -0.12 0.00 -0.85 0.00 0.00 60.65 59.45 1i1e h LYS 322 Cb 1.57 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.18 1i1e h LYS 322 CO 0.16 0.65 -0.32 0.74 -3.45 0.00 0.00 179.45 177.23 1i1e h PHE 323 N 0.04 0.69 -0.94 1.91 0.05 -0.84 0.16 116.94 118.01 1i1e h PHE 323 Ca 0.04 -0.18 0.04 0.00 3.82 0.00 0.00 57.97 61.70 1i1e h PHE 323 Cb 0.54 -0.16 -0.06 0.00 2.00 0.00 0.00 35.95 38.27 1i1e h PHE 323 CO 0.06 0.84 0.61 -0.22 -0.18 0.00 0.00 178.31 179.42 1i1e h LYS 324 N 0.51 1.13 0.00 1.51 3.11 -1.32 -0.96 116.57 120.55 1i1e h LYS 324 Ca 0.06 -0.07 -0.21 0.00 -2.81 0.00 0.00 60.65 57.62 1i1e h LYS 324 Cb 0.80 -0.25 -0.03 0.00 -1.00 0.00 0.00 32.23 31.75 1i1e h LYS 324 CO 0.07 0.75 -1.12 0.22 -2.81 0.00 0.00 179.45 176.55 1i1e h ASP 325 N 1.16 0.00 0.23 4.20 1.82 -1.12 0.11 116.42 122.82 1i1e h ASP 325 Ca 0.38 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.01 1i1e h ASP 325 Cb 0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.06 1i1e h ASP 325 CO -0.13 0.92 -0.11 0.50 -1.61 0.00 0.00 179.24 178.81 1i1e h LYS 326 N 0.00 -0.29 -0.13 0.28 3.64 -0.13 -2.93 116.57 117.00 1i1e h LYS 326 Ca -0.08 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1i1e h LYS 326 Cb 1.77 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1i1e h LYS 326 CO 0.11 -0.12 0.00 0.66 -2.27 0.00 0.00 179.45 177.83 1i1e n TYR 327 N -5.18 0.17 -3.77 1.91 4.02 -0.42 -4.93 117.16 108.97 1i1e n TYR 327 Ca -0.09 -0.09 -0.24 0.00 -0.01 0.00 0.00 57.90 57.47 1i1e n TYR 327 Cb 0.18 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.51 1i1e n TYR 327 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1i1e n LYS 328 N -0.02 -3.65 -3.34 -0.72 4.76 -0.95 -4.88 118.16 109.36 1i1e n LYS 328 Ca 0.13 0.52 -0.31 0.00 -2.87 0.00 0.00 58.31 55.79 1i1e n LYS 328 Cb 0.22 -4.79 -0.05 0.00 -1.84 0.00 0.00 35.03 28.57 1i1e n LYS 328 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1i1e s PHE 329 N -3.73 3.44 -0.18 2.13 2.99 0.33 -4.61 117.98 118.36 1i1e s PHE 329 Ca 0.09 0.83 -0.15 0.00 0.00 0.00 0.00 56.93 57.71 1i1e s PHE 329 Cb -0.03 -2.24 -0.04 0.00 0.00 0.00 0.00 43.02 40.71 1i1e s PHE 329 CO 0.84 0.21 0.33 0.14 -0.00 0.00 0.00 175.22 176.74 1i1e s VAL 330 N -1.94 5.27 0.68 -0.44 -7.23 0.26 -4.79 120.40 112.22 1i1e s VAL 330 Ca 0.47 0.60 -0.02 0.00 -1.81 0.00 0.00 61.98 61.22 1i1e s VAL 330 Cb -0.11 -3.67 0.14 0.00 0.56 0.00 0.00 36.38 33.30 1i1e s VAL 330 CO 0.24 0.33 0.94 1.21 -0.31 0.00 0.00 175.10 177.51 1i1e n GLU 331 N 3.95 -0.18 -3.84 4.82 2.13 -1.26 -0.44 120.64 125.81 1i1e n GLU 331 Ca -0.11 -2.37 -0.09 0.00 0.66 0.00 0.00 57.16 55.25 1i1e n GLU 331 Cb 0.52 -0.67 -0.06 0.00 0.27 0.00 0.00 31.44 31.49 1i1e n GLU 331 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1i1e s ASP 332 N -4.75 -0.02 0.32 4.31 -4.77 -1.07 -4.86 116.67 105.82 1i1e s ASP 332 Ca 0.61 -0.65 0.22 0.00 -3.30 0.00 0.00 52.55 49.42 1i1e s ASP 332 Cb -0.03 0.43 1.10 0.00 -1.09 0.00 0.00 42.92 43.32 1i1e s ASP 332 CO 0.41 -0.85 1.19 -1.54 0.70 0.00 0.00 175.17 175.08 1i1e n SER 333 N -0.18 0.20 0.10 2.11 3.41 -1.26 0.13 113.62 118.13 1i1e n SER 333 Ca -0.12 1.13 0.12 0.00 -0.26 0.00 0.00 58.87 59.73 1i1e n SER 333 Cb 0.63 -0.55 0.05 0.00 -0.26 0.00 0.00 64.21 64.08 1i1e n SER 333 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1i1e h GLU 334 N 0.00 0.00 0.00 4.33 5.08 -2.04 -3.47 114.58 118.47 1i1e h GLU 334 Ca 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1i1e h GLU 334 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1i1e h GLU 334 CO -0.44 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 177.98 1i1e n GLY 335 N 1.21 1.23 3.63 -3.84 0.00 0.36 -5.07 105.19 102.71 1i1e n GLY 335 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1i1e n GLY 335 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i1e s LYS 336 N -0.44 3.98 0.08 1.61 2.47 -1.25 -4.74 119.74 121.46 1i1e s LYS 336 Ca 0.00 1.06 -0.23 0.00 -1.56 0.00 0.00 55.97 55.25 1i1e s LYS 336 Cb 0.00 -3.80 -0.07 0.00 -1.46 0.00 0.00 37.83 32.51 1i1e s LYS 336 CO 0.00 -1.02 0.69 0.71 0.16 0.00 0.00 175.35 175.88 1i1e s TYR 337 N 3.96 3.80 0.19 4.03 1.51 -1.26 -2.60 117.35 126.98 1i1e s TYR 337 Ca 0.49 1.42 -0.09 0.00 -1.01 0.00 0.00 57.07 57.88 1i1e s TYR 337 Cb -0.13 -2.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.03 1i1e s TYR 337 CO 0.20 0.45 0.33 -1.54 -1.11 0.00 0.00 175.55 173.88 1i1e s SER 338 N -0.71 0.00 -0.11 2.29 1.04 0.41 -4.89 113.70 111.74 1i1e s SER 338 Ca 0.34 -0.93 -0.19 0.00 0.48 0.00 0.00 55.95 55.64 1i1e s SER 338 Cb -0.21 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1i1e s SER 338 CO 0.22 -0.97 0.51 -0.63 0.98 0.00 0.00 173.24 173.35 1i1e s ILE 339 N -4.00 5.17 -0.35 -1.02 1.01 -1.26 -0.57 121.20 120.17 1i1e s ILE 339 Ca 0.21 1.02 -0.15 0.00 0.00 0.00 0.00 60.65 61.74 1i1e s ILE 339 Cb 0.02 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1i1e s ILE 339 CO 0.04 0.31 0.34 -0.62 0.00 0.00 0.00 174.94 175.01 1i1e s ASP 340 N 0.66 6.15 0.16 3.58 -1.08 -1.26 -4.92 116.67 119.97 1i1e s ASP 340 Ca 0.28 -0.32 -0.15 0.00 -0.52 0.00 0.00 52.55 51.84 1i1e s ASP 340 Cb -0.15 -2.19 0.10 0.00 -1.46 0.00 0.00 42.92 39.22 1i1e s ASP 340 CO 0.11 -0.33 1.75 0.58 0.52 0.00 0.00 175.17 177.79 1i1e h VAL 341 N 5.54 0.86 -0.02 1.11 2.07 -1.96 -0.55 116.25 123.30 1i1e h VAL 341 Ca -0.30 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1i1e h VAL 341 Cb 1.14 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1i1e h VAL 341 CO 0.69 0.05 0.02 -0.33 0.02 0.00 0.00 177.57 178.02 1i1e h GLU 342 N 0.29 0.03 -0.67 1.57 3.07 -1.99 -1.20 114.58 115.67 1i1e h GLU 342 Ca 0.19 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.01 1i1e h GLU 342 Cb 0.18 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1i1e h GLU 342 CO -0.20 0.02 0.30 0.66 -1.40 0.00 0.00 179.01 178.40 1i1e h SER 343 N 0.03 0.90 -0.16 1.42 4.64 -1.88 -1.99 113.55 116.50 1i1e h SER 343 Ca 0.01 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1i1e h SER 343 Cb -0.00 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1i1e h SER 343 CO -0.00 0.80 0.10 0.15 -0.87 0.00 0.00 176.83 177.01 1i1e h PHE 344 N 0.94 0.20 -0.30 4.77 3.57 -0.96 -1.32 116.94 123.84 1i1e h PHE 344 Ca 0.23 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.80 1i1e h PHE 344 Cb 0.15 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 1i1e h PHE 344 CO 0.01 0.12 -0.15 0.22 -2.23 0.00 0.00 178.31 176.28 1i1e h ASP 345 N 0.21 -0.50 -0.57 0.41 3.58 -0.95 0.35 116.42 118.95 1i1e h ASP 345 Ca 0.06 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1i1e h ASP 345 Cb -0.02 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1i1e h ASP 345 CO -0.02 -0.18 0.32 0.50 -2.88 0.00 0.00 179.24 176.98 1i1e h LYS 346 N -0.11 0.78 -0.15 0.28 3.64 -1.17 -1.79 116.57 118.04 1i1e h LYS 346 Ca 0.15 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1i1e h LYS 346 Cb 0.34 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1i1e h LYS 346 CO -0.37 0.59 0.07 1.25 -2.27 0.00 0.00 179.45 178.73 1i1e h LEU 347 N 0.76 0.20 -0.23 5.20 5.85 -0.66 -1.35 115.31 125.09 1i1e h LEU 347 Ca 0.20 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1i1e h LEU 347 Cb 0.03 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1i1e h LEU 347 CO -0.03 0.27 0.09 0.22 -0.34 0.00 0.00 178.44 178.64 1i1e h TYR 348 N 0.12 0.16 -0.33 1.25 3.20 -0.83 -1.69 116.97 118.85 1i1e h TYR 348 Ca 0.05 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1i1e h TYR 348 Cb 0.12 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1i1e h TYR 348 CO -0.03 0.08 -0.12 0.87 -1.64 0.00 0.00 178.16 177.33 1i1e h LYS 349 N 0.20 0.56 -0.69 1.82 1.57 -1.29 -1.56 116.57 117.19 1i1e h LYS 349 Ca 0.10 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1i1e h LYS 349 Cb 0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1i1e h LYS 349 CO -0.09 0.67 0.35 0.77 -0.57 0.00 0.00 179.45 180.59 1i1e h SER 350 N 0.52 0.88 0.74 0.86 0.02 -0.84 0.18 113.55 115.91 1i1e h SER 350 Ca 0.09 -0.12 -0.22 0.00 -0.84 0.00 0.00 61.79 60.71 1i1e h SER 350 Cb 0.51 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1i1e h SER 350 CO 0.03 0.75 -1.02 -0.07 -1.14 0.00 0.00 176.83 175.39 1i1e h LEU 351 N 0.95 0.21 0.00 5.07 3.38 -1.05 -1.80 115.31 122.07 1i1e h LEU 351 Ca 0.24 -0.20 -0.32 0.00 0.09 0.00 0.00 57.88 57.69 1i1e h LEU 351 Cb 0.08 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1i1e h LEU 351 CO -0.03 1.09 -2.13 0.23 0.09 0.00 0.00 178.44 177.69 1i1e n MET 352 N -3.52 0.67 0.00 1.13 2.81 -0.61 -4.55 117.12 113.05 1i1e n MET 352 Ca -0.04 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1i1e n MET 352 Cb 0.91 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 1i1e n MET 352 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1i1e n PHE 353 N -2.81 0.00 -0.05 2.03 0.99 0.54 -4.52 117.46 113.64 1i1e n PHE 353 Ca -0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.17 1i1e n PHE 353 Cb 1.08 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 39.56 1i1e n PHE 353 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1i1e h GLY 354 N 0.00 0.00 -7.24 1.37 0.00 -0.65 -3.40 103.07 93.15 1i1e h GLY 354 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1i1e h GLY 354 CO 0.00 0.00 1.25 -1.36 0.00 0.00 0.00 176.54 176.43 1i1e s PHE 355 N -1.79 2.42 0.10 5.60 0.40 -0.74 -4.74 117.98 119.23 1i1e s PHE 355 Ca -0.07 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 1i1e s PHE 355 Cb 0.01 -4.65 -0.04 0.00 0.51 0.00 0.00 43.02 38.85 1i1e s PHE 355 CO 0.10 -1.99 -0.08 0.95 0.70 0.00 0.00 175.22 174.90 1i1e s THR 356 N 5.28 0.77 0.22 0.64 -4.23 -1.26 -4.79 115.64 112.27 1i1e s THR 356 Ca 0.40 -1.79 -0.08 0.00 -1.18 0.00 0.00 61.69 59.03 1i1e s THR 356 Cb -0.04 -1.51 0.19 0.00 1.34 0.00 0.00 72.50 72.48 1i1e s THR 356 CO 0.03 -0.74 1.89 -0.08 -0.54 0.00 0.00 174.62 175.17 1i1e h GLU 357 N 3.24 1.14 -0.45 3.99 4.81 -0.49 -1.02 114.58 125.80 1i1e h GLU 357 Ca -0.36 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1i1e h GLU 357 Cb 1.18 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1i1e h GLU 357 CO 0.60 0.78 0.24 1.15 -0.73 0.00 0.00 179.01 181.04 1i1e h THR 358 N 1.16 1.17 -0.25 0.32 2.02 -1.31 -1.17 112.91 114.85 1i1e h THR 358 Ca 0.31 -0.44 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1i1e h THR 358 Cb -0.10 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1i1e h THR 358 CO -0.06 0.18 -0.23 0.78 0.37 0.00 0.00 175.52 176.55 1i1e h ASN 359 N 0.59 0.63 -0.76 4.18 2.35 -1.75 -2.64 115.58 118.18 1i1e h ASN 359 Ca 0.16 -0.47 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 1i1e h ASN 359 Cb 0.07 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 1i1e h ASN 359 CO -0.02 0.97 0.35 0.40 -1.65 0.00 0.00 177.43 177.48 1i1e h ILE 360 N 0.30 1.25 -0.04 2.81 2.04 -1.16 -1.56 117.51 121.16 1i1e h ILE 360 Ca 0.04 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1i1e h ILE 360 Cb 0.79 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1i1e h ILE 360 CO 0.06 0.30 0.02 0.00 0.00 0.00 0.00 178.15 178.53 1i1e h ALA 361 N 1.27 0.05 -1.00 1.87 0.00 -1.17 -0.22 119.26 120.06 1i1e h ALA 361 Ca 0.27 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1i1e h ALA 361 Cb 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1i1e h ALA 361 CO -0.03 -0.39 0.65 1.49 0.00 0.00 0.00 179.25 180.96 1i1e h GLU 362 N -0.06 1.13 -0.27 0.00 4.22 -1.24 0.72 114.58 119.08 1i1e h GLU 362 Ca 0.01 -0.07 -0.16 0.00 0.08 0.00 0.00 59.36 59.22 1i1e h GLU 362 Cb 0.12 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1i1e h GLU 362 CO -0.00 0.75 -0.48 -0.97 -2.18 0.00 0.00 179.01 176.13 1i1e h ASN 363 N 1.16 0.80 -0.46 1.04 -1.24 -0.88 -2.93 115.58 113.07 1i1e h ASN 363 Ca 0.43 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1i1e h ASN 363 Cb 0.18 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.00 1i1e h ASN 363 CO -0.17 1.14 0.00 -1.22 -1.29 0.00 0.00 177.43 175.89 1i1e n TYR 364 N -4.01 0.65 -3.95 0.67 4.02 -0.13 -4.92 117.16 109.49 1i1e n TYR 364 Ca -0.03 -0.32 -0.27 0.00 -0.01 0.00 0.00 57.90 57.28 1i1e n TYR 364 Cb 0.58 -0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.87 1i1e n TYR 364 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1i1e n LYS 365 N 0.84 -3.76 -4.78 -0.72 5.02 -0.11 -4.96 118.16 109.69 1i1e n LYS 365 Ca 0.16 0.45 -0.33 0.00 -2.02 0.00 0.00 58.31 56.57 1i1e n LYS 365 Cb 0.41 -4.81 -0.12 0.00 -0.02 0.00 0.00 35.03 30.49 1i1e n LYS 365 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1i1e s ILE 366 N -3.75 3.31 0.19 -0.18 1.01 0.06 -4.94 121.20 116.89 1i1e s ILE 366 Ca 0.18 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 1i1e s ILE 366 Cb -0.09 -2.32 -0.07 0.00 0.01 0.00 0.00 42.46 39.98 1i1e s ILE 366 CO 0.88 0.58 0.58 -0.75 0.00 0.00 0.00 174.94 176.23 1i1e s LYS 367 N -0.80 3.96 0.29 2.79 2.20 -1.26 -4.36 119.74 122.56 1i1e s LYS 367 Ca 0.12 0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 56.16 1i1e s LYS 367 Cb -0.11 -2.80 -0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1i1e s LYS 367 CO 0.01 0.40 0.43 -0.08 -0.36 0.00 0.00 175.35 175.75 1i1e s THR 368 N -1.61 0.00 0.54 3.43 -1.32 -1.26 -4.70 115.64 110.72 1i1e s THR 368 Ca 0.42 -1.59 -0.21 0.00 -1.21 0.00 0.00 61.69 59.10 1i1e s THR 368 Cb -0.14 -2.48 -0.05 0.00 -1.51 0.00 0.00 72.50 68.32 1i1e s THR 368 CO 0.20 0.00 1.32 0.00 -2.21 0.00 0.00 174.62 173.93 1i1e s ARG 369 N -3.50 3.17 0.31 7.08 1.70 -1.26 -4.92 118.95 121.54 1i1e s ARG 369 Ca 0.29 2.14 0.06 0.00 -0.47 0.00 0.00 55.73 57.74 1i1e s ARG 369 Cb 0.00 -2.23 0.52 0.00 -0.57 0.00 0.00 34.95 32.68 1i1e s ARG 369 CO 0.15 -1.13 1.77 0.00 -1.08 0.00 0.00 175.30 175.01 1i1e h ALA 370 N 1.44 1.21 -2.54 7.88 0.00 -1.98 -3.46 119.26 121.82 1i1e h ALA 370 Ca -0.51 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.00 1i1e h ALA 370 Cb 1.30 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 1i1e h ALA 370 CO 0.57 0.51 -0.33 0.45 0.00 0.00 0.00 179.25 180.46 1i1e s SER 371 N -6.84 0.07 0.23 0.00 0.15 -1.26 -4.73 113.70 101.32 1i1e s SER 371 Ca -0.06 -0.60 -0.07 0.00 0.70 0.00 0.00 55.95 55.92 1i1e s SER 371 Cb 0.14 0.36 0.20 0.00 -1.71 0.00 0.00 66.02 65.01 1i1e s SER 371 CO 0.77 -0.74 1.86 0.22 1.20 0.00 0.00 173.24 176.55 1i1e h TYR 372 N 2.72 1.21 -1.57 3.44 3.20 -1.91 -3.26 116.97 120.81 1i1e h TYR 372 Ca -0.34 -0.02 -0.71 0.00 3.14 0.00 0.00 58.73 60.80 1i1e h TYR 372 Cb 1.21 -0.39 -0.13 0.00 1.54 0.00 0.00 36.73 38.96 1i1e h TYR 372 CO 0.41 0.83 1.72 -0.06 -1.64 0.00 0.00 178.16 179.43 1i1e s PHE 373 N -5.87 3.15 -0.04 -3.82 0.40 -1.26 -4.91 117.98 105.62 1i1e s PHE 373 Ca -0.13 -1.86 -0.06 0.00 -0.60 0.00 0.00 56.93 54.29 1i1e s PHE 373 Cb 0.17 -4.52 0.01 0.00 0.51 0.00 0.00 43.02 39.19 1i1e s PHE 373 CO 0.82 -1.60 0.15 -1.12 0.70 0.00 0.00 175.22 174.17 1i1e s SER 374 N 3.53 -0.11 0.47 1.36 0.01 -1.23 -5.08 113.70 112.65 1i1e s SER 374 Ca 0.48 0.17 -0.23 0.00 1.31 0.00 0.00 55.95 57.67 1i1e s SER 374 Cb 0.00 0.28 -0.09 0.00 0.21 0.00 0.00 66.02 66.43 1i1e s SER 374 CO 0.03 -0.14 1.09 0.47 0.41 0.00 0.00 173.24 175.11 1i1e n ASP 375 N 2.59 1.59 -4.52 2.44 8.00 -1.26 -4.96 116.55 120.43 1i1e n ASP 375 Ca -0.15 1.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.99 1i1e n ASP 375 Cb 0.58 -1.42 -0.12 0.00 -0.02 0.00 0.00 41.12 40.15 1i1e n ASP 375 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1i1e s SER 376 N -0.81 5.26 0.51 -2.24 1.04 -1.26 -4.82 113.70 111.37 1i1e s SER 376 Ca 0.66 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1i1e s SER 376 Cb -0.50 -1.92 0.06 0.00 0.10 0.00 0.00 66.02 63.76 1i1e s SER 376 CO 0.54 0.06 0.41 0.18 0.98 0.00 0.00 173.24 175.42 1i1e n LEU 377 N 4.28 0.00 -4.76 2.42 4.77 -1.23 -4.77 117.00 117.71 1i1e n LEU 377 Ca -0.16 -0.89 -0.39 0.00 -0.03 0.00 0.00 56.01 54.53 1i1e n LEU 377 Cb 0.52 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1i1e n LEU 377 CO 0.33 -0.70 0.75 -2.84 -1.33 0.00 0.00 177.39 173.59 1i1e s PRO 378 N -3.50 4.58 0.72 3.23 0.02 -1.26 -4.62 135.00 134.16 1i1e s PRO 378 Ca 0.28 1.66 -0.11 0.00 0.02 0.00 0.00 61.00 62.84 1i1e s PRO 378 Cb -0.02 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.47 1i1e s PRO 378 CO 0.18 0.20 1.09 -1.25 -0.33 0.00 0.00 177.00 176.89 1i1e s PRO 379 N -1.64 2.75 0.20 5.54 0.04 -1.26 -4.28 135.00 136.35 1i1e s PRO 379 Ca 0.47 0.56 0.08 0.00 0.04 0.00 0.00 61.00 62.15 1i1e s PRO 379 Cb -0.28 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1i1e s PRO 379 CO 0.36 -1.13 -0.15 0.14 0.04 0.00 0.00 177.00 176.25 1i1e s VAL 380 N -3.28 1.79 -0.22 -0.36 -7.23 -0.84 -4.35 120.40 105.92 1i1e s VAL 380 Ca 0.58 -2.17 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 1i1e s VAL 380 Cb -0.12 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1i1e s VAL 380 CO 0.53 -0.54 0.13 -0.75 -0.31 0.00 0.00 175.10 174.16 1i1e s LYS 381 N -3.49 4.05 0.06 4.82 2.20 -0.53 -1.90 119.74 124.95 1i1e s LYS 381 Ca 0.22 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.24 1i1e s LYS 381 Cb -0.02 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1i1e s LYS 381 CO 0.07 0.14 1.03 0.42 -0.36 0.00 0.00 175.35 176.65 1i1e s ILE 382 N 0.81 4.50 0.07 5.43 -1.09 0.03 -0.22 121.20 130.73 1i1e s ILE 382 Ca 0.07 1.91 -0.33 0.00 -2.23 0.00 0.00 60.65 60.06 1i1e s ILE 382 Cb -0.13 -4.22 -0.19 0.00 -1.58 0.00 0.00 42.46 36.34 1i1e s ILE 382 CO 0.02 0.21 1.62 0.11 -1.23 0.00 0.00 174.94 175.68 1i1e h LYS 383 N 6.24 -0.91 -1.44 2.79 1.57 -1.57 -3.43 116.57 119.82 1i1e h LYS 383 Ca -0.42 0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.27 1i1e h LYS 383 Cb 1.22 0.21 -0.25 0.00 0.08 0.00 0.00 32.23 33.48 1i1e h LYS 383 CO 0.75 -0.61 -0.52 1.21 -0.57 0.00 0.00 179.45 179.71 1i1e s ASN 384 N -4.36 -0.32 0.64 0.86 3.84 -1.26 -4.98 114.94 109.35 1i1e s ASN 384 Ca -0.18 -0.67 0.41 0.00 0.21 0.00 0.00 52.86 52.64 1i1e s ASN 384 Cb 0.03 1.38 2.18 0.00 -0.55 0.00 0.00 41.25 44.30 1i1e s ASN 384 CO 0.62 -0.27 2.29 -0.07 -2.79 0.00 0.00 177.10 176.88 1i1e h LEU 385 N 7.56 0.00 -0.56 3.21 3.38 -1.95 -1.16 115.31 125.80 1i1e h LEU 385 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i1e h LEU 385 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1i1e h LEU 385 CO 0.18 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.90 1i1e n LEU 386 N -3.15 0.84 -4.43 1.67 4.77 -1.26 -4.64 117.00 110.79 1i1e n LEU 386 Ca -0.02 -0.33 -0.44 0.00 -0.03 0.00 0.00 56.01 55.19 1i1e n LEU 386 Cb 0.12 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1i1e n LEU 386 CO 0.22 0.17 0.08 -0.62 -1.33 0.00 0.00 177.39 175.91 1i1e s ASP 387 N -1.68 6.16 0.00 -1.43 -1.08 -0.44 -4.94 116.67 113.26 1i1e s ASP 387 Ca 0.33 -1.03 0.02 0.00 -0.52 0.00 0.00 52.55 51.35 1i1e s ASP 387 Cb 0.17 -2.21 0.11 0.00 -1.46 0.00 0.00 42.92 39.53 1i1e s ASP 387 CO 0.27 -0.63 0.77 0.59 0.52 0.00 0.00 175.17 176.69 1i1e n ASN 388 N 5.44 0.00 0.10 -0.34 3.02 -1.25 -0.77 115.26 121.45 1i1e n ASN 388 Ca -0.10 0.13 0.12 0.00 -0.03 0.00 0.00 54.58 54.70 1i1e n ASN 388 Cb 0.45 -0.18 0.08 0.00 -0.61 0.00 0.00 39.78 39.53 1i1e n ASN 388 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1i1e h GLU 389 N 0.00 0.00 0.00 3.52 4.57 -1.94 -3.38 114.58 117.35 1i1e h GLU 389 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 1i1e h GLU 389 Cb 0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1i1e h GLU 389 CO 0.00 0.00 -1.74 -0.89 -1.18 0.00 0.00 179.01 175.20 1i1e n ILE 390 N -2.50 0.74 -3.74 2.32 2.08 0.05 -5.03 119.36 113.29 1i1e n ILE 390 Ca 0.02 -0.31 -0.14 0.00 0.56 0.00 0.00 62.75 62.87 1i1e n ILE 390 Cb 0.51 -0.92 -0.15 0.00 -0.75 0.00 0.00 39.64 38.33 1i1e n ILE 390 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1i1e s TYR 391 N -2.26 -0.12 0.19 1.39 5.04 -0.48 -4.27 117.35 116.84 1i1e s TYR 391 Ca -0.15 0.43 0.10 0.00 -2.44 0.00 0.00 57.07 55.01 1i1e s TYR 391 Cb 0.04 -0.15 -0.04 0.00 0.35 0.00 0.00 41.96 42.16 1i1e s TYR 391 CO 0.32 -0.17 -0.20 0.95 -1.34 0.00 0.00 175.55 175.11 1i1e s THR 392 N 1.35 2.07 0.17 4.34 -4.23 -0.25 -3.88 115.64 115.20 1i1e s THR 392 Ca -0.07 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.31 1i1e s THR 392 Cb -0.12 -1.99 0.07 0.00 1.34 0.00 0.00 72.50 71.80 1i1e s THR 392 CO -0.05 -0.26 1.73 0.40 -0.54 0.00 0.00 174.62 175.90 1i1e h ILE 393 N 3.13 1.23 -0.46 2.99 2.04 -1.89 0.51 117.51 125.06 1i1e h ILE 393 Ca -0.43 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 64.63 1i1e h ILE 393 Cb 1.21 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1i1e h ILE 393 CO 0.51 0.27 -0.08 -0.33 0.00 0.00 0.00 178.15 178.52 1i1e h GLU 394 N 0.80 0.86 0.00 2.37 3.07 -1.94 -3.40 114.58 116.34 1i1e h GLU 394 Ca 0.19 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1i1e h GLU 394 Cb 0.20 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1i1e h GLU 394 CO -0.02 0.95 0.00 0.39 -1.40 0.00 0.00 179.01 178.94 1i1e n GLU 395 N -4.29 -0.10 0.00 2.33 1.02 -1.19 -5.09 120.64 113.32 1i1e n GLU 395 Ca -0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1i1e n GLU 395 Cb 0.36 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 1i1e n GLU 395 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i1e n GLY 396 N 0.05 2.51 0.11 0.62 0.00 0.18 -2.58 105.19 106.09 1i1e n GLY 396 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.77 1i1e n GLY 396 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1i1e h PHE 397 N 0.00 0.00 -0.33 1.61 -1.00 -1.86 -0.66 116.94 114.71 1i1e h PHE 397 Ca 0.00 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 60.14 1i1e h PHE 397 Cb 0.00 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 1i1e h PHE 397 CO 0.00 0.38 2.98 0.09 -1.61 0.00 0.00 178.31 180.15 1i1e n ASN 398 N -2.89 8.19 -4.68 2.17 3.02 -1.06 -4.15 115.26 115.84 1i1e n ASN 398 Ca -0.05 -2.73 -0.42 0.00 -0.03 0.00 0.00 54.58 51.35 1i1e n ASN 398 Cb 0.73 -1.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.39 1i1e n ASN 398 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i1e s ILE 399 N 1.06 4.27 0.31 2.41 1.01 -1.25 -3.84 121.20 125.17 1i1e s ILE 399 Ca 0.65 1.58 0.16 0.00 0.00 0.00 0.00 60.65 63.04 1i1e s ILE 399 Cb 0.20 -4.02 0.11 0.00 0.01 0.00 0.00 42.46 38.76 1i1e s ILE 399 CO -0.07 -0.04 1.80 0.77 0.00 0.00 0.00 174.94 177.40 1i1e h SER 400 N 7.65 0.00 0.22 3.58 4.64 -1.92 0.26 113.55 127.98 1i1e h SER 400 Ca -0.32 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1i1e h SER 400 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1i1e h SER 400 CO 0.91 0.38 -0.23 0.44 -0.87 0.00 0.00 176.83 177.46 1i1e h ASP 401 N 0.00 0.03 -0.54 4.97 3.32 -1.99 0.98 116.42 123.18 1i1e h ASP 401 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1i1e h ASP 401 Cb 0.75 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1i1e h ASP 401 CO 0.05 0.26 0.00 0.29 -1.72 0.00 0.00 179.24 178.12 1i1e n LYS 402 N -4.25 2.65 -3.86 3.56 5.02 -1.11 -4.91 118.16 115.25 1i1e n LYS 402 Ca -0.02 -2.11 -0.26 0.00 -2.02 0.00 0.00 58.31 53.90 1i1e n LYS 402 Cb 0.30 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1i1e n LYS 402 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1i1e n ASP 403 N 1.02 -1.42 -0.08 4.39 2.03 0.34 -4.87 116.55 117.96 1i1e n ASP 403 Ca 0.19 -0.98 0.04 0.00 0.52 0.00 0.00 54.79 54.56 1i1e n ASP 403 Cb 0.58 -3.26 0.06 0.00 -0.72 0.00 0.00 41.12 37.78 1i1e n ASP 403 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1i1e n MET 404 N -4.34 2.36 -0.08 -0.67 2.81 0.89 -4.75 117.12 113.35 1i1e n MET 404 Ca -0.27 -1.96 -0.14 0.00 -1.81 0.00 0.00 57.70 53.52 1i1e n MET 404 Cb 0.67 -1.22 -0.11 0.00 -0.71 0.00 0.00 33.22 31.85 1i1e n MET 404 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1i1e h GLU 405 N 0.14 0.00 -6.72 0.03 4.22 -1.66 -2.59 114.58 108.00 1i1e h GLU 405 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.91 1i1e h GLU 405 Cb 0.72 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.04 1i1e h GLU 405 CO 0.01 0.86 0.95 1.63 -2.18 0.00 0.00 179.01 180.27 1i1e n LYS 406 N -4.58 2.74 -2.16 1.92 5.02 -1.26 -2.76 118.16 117.09 1i1e n LYS 406 Ca -0.15 0.98 -0.17 0.00 -2.02 0.00 0.00 58.31 56.95 1i1e n LYS 406 Cb 0.48 -2.80 -0.03 0.00 -0.02 0.00 0.00 35.03 32.67 1i1e n LYS 406 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1i1e n GLU 407 N 3.05 -1.75 -3.89 1.97 1.02 -1.26 -2.11 120.64 117.67 1i1e n GLU 407 Ca 0.12 0.90 -0.30 0.00 -0.02 0.00 0.00 57.16 57.86 1i1e n GLU 407 Cb 0.36 -5.45 0.03 0.00 -0.02 0.00 0.00 31.44 26.36 1i1e n GLU 407 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1i1e n TYR 408 N -3.30 -2.35 -0.30 -0.32 4.02 -1.11 -4.87 117.16 108.93 1i1e n TYR 408 Ca -0.20 0.91 0.11 0.00 -0.01 0.00 0.00 57.90 58.71 1i1e n TYR 408 Cb 0.63 -4.04 0.34 0.00 -0.02 0.00 0.00 39.34 36.25 1i1e n TYR 408 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1i1e h ARG 409 N -2.13 0.74 0.00 -0.72 3.08 -1.42 -1.19 114.38 112.75 1i1e h ARG 409 Ca -0.58 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.43 1i1e h ARG 409 Cb 1.38 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1i1e h ARG 409 CO 0.67 0.49 0.00 0.41 -1.07 0.00 0.00 179.97 180.47 1i1e n GLY 410 N -1.41 -0.93 0.61 0.04 0.00 -0.98 -1.02 105.19 101.50 1i1e n GLY 410 Ca 0.18 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.46 1i1e n GLY 410 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i1e n GLN 411 N -2.26 1.11 -2.68 1.61 6.02 -0.46 -4.74 117.38 115.99 1i1e n GLN 411 Ca -0.01 -1.41 -0.43 0.00 -0.01 0.00 0.00 57.00 55.15 1i1e n GLN 411 Cb 0.06 -1.29 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 1i1e n GLN 411 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1i1e s ASN 412 N -1.25 7.20 0.46 1.08 3.84 -0.19 -0.60 114.94 125.47 1i1e s ASN 412 Ca 0.18 1.48 0.19 0.00 0.21 0.00 0.00 52.86 54.91 1i1e s ASN 412 Cb 0.13 -2.55 1.09 0.00 -0.55 0.00 0.00 41.25 39.37 1i1e s ASN 412 CO 0.19 -0.52 1.98 0.11 -2.79 0.00 0.00 177.10 176.07 1i1e h LYS 413 N 7.21 0.00 0.00 0.43 1.57 -1.66 -0.76 116.57 123.37 1i1e h LYS 413 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1i1e h LYS 413 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1i1e h LYS 413 CO 0.90 0.20 -0.39 0.00 -0.57 0.00 0.00 179.45 179.59 1i1e n ALA 414 N -2.41 2.98 -0.07 3.86 0.00 -1.25 -4.34 120.51 119.27 1i1e n ALA 414 Ca -0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.09 1i1e n ALA 414 Cb 0.28 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 1i1e n ALA 414 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1i1e n ILE 415 N -1.76 0.86 -2.93 0.00 5.41 -0.90 -4.79 119.36 115.25 1i1e n ILE 415 Ca 0.05 -0.37 -0.32 0.00 1.00 0.00 0.00 62.75 63.11 1i1e n ILE 415 Cb 0.38 -0.96 -0.02 0.00 -0.71 0.00 0.00 39.64 38.32 1i1e n ILE 415 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1i1e n ASN 416 N -2.84 5.39 0.17 4.38 5.15 -0.34 -4.81 115.26 122.36 1i1e n ASN 416 Ca -0.25 -3.63 0.13 0.00 -0.60 0.00 0.00 54.58 50.23 1i1e n ASN 416 Cb 0.81 -0.81 0.46 0.00 -0.53 0.00 0.00 39.78 39.71 1i1e n ASN 416 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1i1e h LYS 417 N 3.70 0.00 0.00 1.20 1.57 -1.81 -2.81 116.57 118.42 1i1e h LYS 417 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1i1e h LYS 417 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1i1e h LYS 417 CO 0.97 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.85 1i1e n GLN 418 N -2.56 0.78 -0.00 3.15 0.00 -1.26 -3.26 117.38 114.22 1i1e n GLN 418 Ca 0.03 0.01 0.08 0.00 0.00 0.00 0.00 57.00 57.12 1i1e n GLN 418 Cb 0.35 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.97 1i1e n GLN 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1i1e n ALA 419 N -1.04 3.12 -2.49 2.61 0.00 -1.06 -4.90 120.51 116.74 1i1e n ALA 419 Ca 0.19 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 1i1e n ALA 419 Cb 0.11 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 1i1e n ALA 419 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1i1e s TYR 420 N -2.91 0.51 0.09 0.00 -0.85 -1.20 -1.42 117.35 111.56 1i1e s TYR 420 Ca -0.02 -0.89 0.08 0.00 -0.52 0.00 0.00 57.07 55.72 1i1e s TYR 420 Cb 0.11 -0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 1i1e s TYR 420 CO 0.67 -0.62 -0.22 -1.21 -1.52 0.00 0.00 175.55 172.66 1i1e s GLU 421 N -3.97 1.23 0.68 -3.49 2.02 0.70 -4.85 118.70 111.02 1i1e s GLU 421 Ca 0.17 -1.12 -0.11 0.00 0.02 0.00 0.00 54.97 53.93 1i1e s GLU 421 Cb 0.05 -1.48 -0.00 0.00 0.10 0.00 0.00 34.13 32.80 1i1e s GLU 421 CO -0.01 0.36 1.06 -1.21 0.02 0.00 0.00 175.26 175.47 1i1e s GLU 422 N -1.72 3.07 0.02 1.61 0.41 -1.26 -1.45 118.70 119.39 1i1e s GLU 422 Ca 0.08 0.81 -0.00 0.00 -0.41 0.00 0.00 54.97 55.44 1i1e s GLU 422 Cb -0.10 -2.02 -0.04 0.00 -1.78 0.00 0.00 34.13 30.20 1i1e s GLU 422 CO 0.04 -0.97 0.12 0.42 -0.49 0.00 0.00 175.26 174.38 1i1e s ILE 423 N -3.13 4.92 -0.33 -1.63 1.01 -1.26 -4.77 121.20 116.00 1i1e s ILE 423 Ca 0.57 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.50 1i1e s ILE 423 Cb -0.13 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1i1e s ILE 423 CO 0.54 0.27 1.73 -0.55 0.00 0.00 0.00 174.94 176.93 1i1e s SER 424 N -2.03 5.98 0.53 3.58 0.15 -1.26 -4.86 113.70 115.79 1i1e s SER 424 Ca 0.27 1.25 0.29 0.00 0.70 0.00 0.00 55.95 58.46 1i1e s SER 424 Cb -0.12 -2.53 1.43 0.00 -1.71 0.00 0.00 66.02 63.09 1i1e s SER 424 CO 0.19 -1.65 1.90 0.11 1.20 0.00 0.00 173.24 174.99 1i1e h LYS 425 N 12.45 0.04 -0.59 5.44 1.79 -1.96 -0.37 116.57 133.36 1i1e h LYS 425 Ca -0.33 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1i1e h LYS 425 Cb 1.16 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1i1e h LYS 425 CO 1.04 0.03 0.00 0.39 -1.08 0.00 0.00 179.45 179.82 1i1e n GLU 426 N -4.31 0.50 0.00 3.15 1.02 -1.26 -0.80 120.64 118.95 1i1e n GLU 426 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1i1e n GLU 426 Cb 0.89 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 1i1e n GLU 426 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1i1e n HIS 427 N 0.29 0.00 -3.97 -0.32 8.25 -0.15 -5.03 115.22 114.29 1i1e n HIS 427 Ca 0.00 -0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1i1e n HIS 427 Cb 0.14 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 1i1e n HIS 427 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1i1e s LEU 428 N -0.00 4.17 -0.04 2.41 1.43 0.02 -1.86 118.68 124.80 1i1e s LEU 428 Ca 0.00 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 1i1e s LEU 428 Cb 0.00 -2.79 0.02 0.00 0.03 0.00 0.00 46.19 43.46 1i1e s LEU 428 CO 0.00 0.15 0.10 0.00 0.23 0.00 0.00 176.35 176.83 1i1e s ALA 429 N -1.52 -0.18 0.04 4.21 0.00 -0.55 -4.97 121.76 118.79 1i1e s ALA 429 Ca 0.33 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1i1e s ALA 429 Cb -0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1i1e s ALA 429 CO 0.26 -0.10 -0.08 0.08 0.00 0.00 0.00 175.76 175.93 1i1e s VAL 430 N 0.66 0.53 -0.07 0.00 1.01 -1.26 -1.42 120.40 119.85 1i1e s VAL 430 Ca -0.05 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1i1e s VAL 430 Cb -0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1i1e s VAL 430 CO -0.03 -0.32 1.13 -0.47 0.00 0.00 0.00 175.10 175.41 1i1e s TYR 431 N -1.23 3.32 0.17 5.22 5.04 -1.26 -4.72 117.35 123.90 1i1e s TYR 431 Ca -0.09 1.36 0.10 0.00 -2.44 0.00 0.00 57.07 56.00 1i1e s TYR 431 Cb -0.09 -3.33 -0.04 0.00 0.35 0.00 0.00 41.96 38.85 1i1e s TYR 431 CO 0.00 -0.90 -0.21 0.15 -1.34 0.00 0.00 175.55 173.26 1i1e s LYS 432 N 2.09 1.36 -0.29 4.97 1.02 0.14 -1.31 119.74 127.72 1i1e s LYS 432 Ca 0.53 -1.43 -0.05 0.00 0.02 0.00 0.00 55.97 55.03 1i1e s LYS 432 Cb -0.22 -1.54 0.02 0.00 -0.52 0.00 0.00 37.83 35.56 1i1e s LYS 432 CO 0.21 0.33 0.05 0.42 -0.92 0.00 0.00 175.35 175.43 1i1e s ILE 433 N -1.81 3.66 -0.66 2.17 -1.09 0.14 -1.45 121.20 122.16 1i1e s ILE 433 Ca 0.17 -0.86 -0.24 0.00 -2.23 0.00 0.00 60.65 57.48 1i1e s ILE 433 Cb -0.07 -2.92 0.05 0.00 -1.58 0.00 0.00 42.46 37.94 1i1e s ILE 433 CO 0.08 0.06 1.07 -1.58 -1.23 0.00 0.00 174.94 173.33 1i1e s GLN 434 N 1.44 3.19 -0.53 2.79 0.74 0.77 -2.07 119.66 125.99 1i1e s GLN 434 Ca 0.01 -0.50 -0.25 0.00 0.05 0.00 0.00 55.36 54.67 1i1e s GLN 434 Cb -0.18 -4.17 0.04 0.00 1.10 0.00 0.00 33.01 29.80 1i1e s GLN 434 CO 0.01 -1.86 0.96 -1.64 -0.55 0.00 0.00 175.29 172.21 1i1e s MET 435 N 4.60 3.41 0.11 1.67 -1.94 0.11 -1.11 119.30 126.16 1i1e s MET 435 Ca 0.28 -0.08 0.04 0.00 -1.71 0.00 0.00 55.69 54.23 1i1e s MET 435 Cb -0.13 -4.01 -0.04 0.00 2.01 0.00 0.00 34.83 32.66 1i1e s MET 435 CO 0.14 -1.42 0.09 0.00 -0.01 0.00 0.00 175.02 173.81 1i1e s LYS 437 N -2.62 3.53 -1.14 0.00 1.02 -0.62 -0.77 119.74 119.13 1i1e s LYS 437 Ca 0.29 -0.26 -0.22 0.00 0.02 0.00 0.00 55.97 55.80 1i1e s LYS 437 Cb -0.11 -2.96 -0.09 0.00 -0.52 0.00 0.00 37.83 34.15 1i1e s LYS 437 CO 0.22 0.55 1.92 -1.13 -0.92 0.00 0.00 175.35 175.99 1i1e n SER 438 N 0.28 3.14 0.00 2.83 3.41 -1.26 -4.42 113.62 117.60 1i1e n SER 438 Ca -0.04 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1i1e n SER 438 Cb 0.51 -1.66 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 1i1e n SER 438 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1i1e n VAL 439 N 7.46 0.00 -3.89 -3.33 0.31 -1.26 -5.09 118.33 112.52 1i1e n VAL 439 Ca 0.46 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.69 1i1e n VAL 439 Cb 0.46 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.32 1i1e n VAL 439 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1i1e s GLY 443 N 0.00 0.29 -0.22 2.92 0.00 -1.26 -5.19 107.32 103.86 1i1e s GLY 443 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 43.93 1i1e s GLY 443 CO 0.00 -0.71 0.49 -1.50 0.00 0.00 0.00 173.10 171.38 1i1e s ILE 444 N -3.93 -0.39 0.05 0.90 1.10 -1.26 -5.04 121.20 112.62 1i1e s ILE 444 Ca 0.13 0.09 0.03 0.00 -0.51 0.00 0.00 60.65 60.39 1i1e s ILE 444 Cb 0.03 -0.75 -0.02 0.00 0.15 0.00 0.00 42.46 41.86 1i1e s ILE 444 CO -0.03 0.04 -0.09 0.00 -2.11 0.00 0.00 174.94 172.75 1i1e s ILE 446 N -1.31 1.82 -0.09 0.00 1.01 -0.35 -4.94 121.20 117.33 1i1e s ILE 446 Ca -0.08 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.46 1i1e s ILE 446 Cb -0.10 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 1i1e s ILE 446 CO 0.01 0.51 0.39 -1.81 0.00 0.00 0.00 174.94 174.04 1i1e s ASP 447 N -0.32 6.65 -0.06 3.58 1.01 -1.26 -0.71 116.67 125.55 1i1e s ASP 447 Ca 0.03 0.77 0.01 0.00 0.71 0.00 0.00 52.55 54.07 1i1e s ASP 447 Cb -0.11 -2.24 0.02 0.00 1.01 0.00 0.00 42.92 41.60 1i1e s ASP 447 CO 0.01 0.15 -0.08 -0.69 0.21 0.00 0.00 175.17 174.77 1i1e s VAL 448 N -0.05 0.88 0.06 -1.27 1.01 -0.88 -4.97 120.40 115.19 1i1e s VAL 448 Ca 0.22 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 1i1e s VAL 448 Cb -0.15 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 1i1e s VAL 448 CO 0.09 0.31 1.28 -1.81 0.00 0.00 0.00 175.10 174.97 1i1e s ASP 449 N 0.91 6.97 0.51 3.32 1.01 -1.26 0.29 116.67 128.42 1i1e s ASP 449 Ca -0.11 2.11 0.42 0.00 0.71 0.00 0.00 52.55 55.68 1i1e s ASP 449 Cb -0.15 -2.58 1.61 0.00 1.01 0.00 0.00 42.92 42.82 1i1e s ASP 449 CO 0.01 -0.56 1.61 -1.13 0.21 0.00 0.00 175.17 175.31 1i1e h ASN 450 N 6.95 0.09 -0.35 0.27 -1.24 -1.49 0.59 115.58 120.41 1i1e h ASN 450 Ca -0.41 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 56.64 1i1e h ASN 450 Cb 1.21 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 40.29 1i1e h ASN 450 CO 0.84 -0.09 0.17 -0.33 -1.29 0.00 0.00 177.43 176.74 1i1e h GLU 451 N 0.02 0.54 0.00 6.67 5.08 -1.82 -2.67 114.58 122.41 1i1e h GLU 451 Ca 0.87 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 59.17 1i1e h GLU 451 Cb 3.21 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 32.35 1i1e h GLU 451 CO -0.18 0.43 0.00 -0.25 -1.00 0.00 0.00 179.01 178.01 1i1e n ASP 452 N -4.40 0.39 -4.52 1.42 8.00 0.21 -4.86 116.55 112.80 1i1e n ASP 452 Ca 0.03 0.56 -0.29 0.00 0.71 0.00 0.00 54.79 55.80 1i1e n ASP 452 Cb 0.13 -0.66 0.17 0.00 -0.02 0.00 0.00 41.12 40.73 1i1e n ASP 452 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i1e s LEU 453 N -3.79 1.82 0.01 0.64 1.43 -1.01 -5.00 118.68 112.78 1i1e s LEU 453 Ca 0.09 0.83 -0.28 0.00 -1.03 0.00 0.00 54.13 53.74 1i1e s LEU 453 Cb 0.13 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1i1e s LEU 453 CO 0.46 -2.92 0.91 -0.36 0.23 0.00 0.00 176.35 174.68 1i1e s PHE 454 N -3.28 3.67 -0.24 0.29 0.40 -0.39 -4.61 117.98 113.81 1i1e s PHE 454 Ca 0.67 1.62 -0.15 0.00 -0.60 0.00 0.00 56.93 58.47 1i1e s PHE 454 Cb -0.13 -3.03 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 1i1e s PHE 454 CO 0.54 0.06 0.35 0.12 0.70 0.00 0.00 175.22 176.99 1i1e s PHE 455 N 0.77 3.30 -0.24 0.36 5.36 -1.26 0.12 117.98 126.39 1i1e s PHE 455 Ca 0.48 0.45 -0.02 0.00 -0.96 0.00 0.00 56.93 56.88 1i1e s PHE 455 Cb -0.21 -2.51 0.07 0.00 -0.34 0.00 0.00 43.02 40.04 1i1e s PHE 455 CO 0.26 -0.11 0.05 0.42 -1.46 0.00 0.00 175.22 174.38 1i1e s ILE 456 N 1.67 0.69 0.26 3.12 1.01 -1.26 -4.46 121.20 122.22 1i1e s ILE 456 Ca 0.15 -0.89 -0.31 0.00 0.00 0.00 0.00 60.65 59.61 1i1e s ILE 456 Cb -0.15 -1.29 -0.13 0.00 0.01 0.00 0.00 42.46 40.90 1i1e s ILE 456 CO 0.09 -0.37 1.49 0.00 0.00 0.00 0.00 174.94 176.15 1i1e n ALA 457 N 4.96 1.69 -1.80 9.38 0.00 0.02 -0.33 120.51 134.43 1i1e n ALA 457 Ca -0.07 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 1i1e n ALA 457 Cb 0.45 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 1i1e n ALA 457 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i1e s ASP 458 N 0.41 6.47 0.28 0.00 -1.08 0.77 -4.63 116.67 118.89 1i1e s ASP 458 Ca 0.67 1.64 0.02 0.00 -0.52 0.00 0.00 52.55 54.37 1i1e s ASP 458 Cb -0.59 -2.52 0.68 0.00 -1.46 0.00 0.00 42.92 39.03 1i1e s ASP 458 CO 0.48 -0.70 1.69 0.50 0.52 0.00 0.00 175.17 177.67 1i1e h LYS 459 N 0.92 0.34 -0.01 4.34 3.64 -1.88 -0.64 116.57 123.28 1i1e h LYS 459 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1i1e h LYS 459 Cb 1.19 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1i1e h LYS 459 CO 0.60 0.23 0.26 -0.91 -2.27 0.00 0.00 179.45 177.36 1i1e h ASN 460 N 0.35 0.00 0.46 4.20 2.35 -1.92 -2.11 115.58 118.91 1i1e h ASN 460 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 1i1e h ASN 460 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1i1e h ASN 460 CO -0.54 0.00 0.00 0.28 -1.65 0.00 0.00 177.43 175.52 1i1e h SER 461 N 0.00 0.00 -3.45 5.81 0.02 -1.30 -3.44 113.55 111.19 1i1e h SER 461 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.28 1i1e h SER 461 Cb 0.53 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.91 1i1e h SER 461 CO -0.00 0.00 -0.65 -0.36 -1.14 0.00 0.00 176.83 174.68 1i1e s PHE 462 N -3.63 3.05 0.26 3.45 0.40 -0.80 -4.64 117.98 116.08 1i1e s PHE 462 Ca -0.00 0.10 -0.29 0.00 -0.60 0.00 0.00 56.93 56.13 1i1e s PHE 462 Cb 0.09 -1.72 -0.09 0.00 0.51 0.00 0.00 43.02 41.81 1i1e s PHE 462 CO 0.38 0.42 1.20 0.45 0.70 0.00 0.00 175.22 178.37 1i1e s SER 463 N -1.11 7.05 -0.24 1.36 0.15 -1.26 -4.96 113.70 114.69 1i1e s SER 463 Ca 0.15 2.39 0.14 0.00 0.70 0.00 0.00 55.95 59.32 1i1e s SER 463 Cb -0.11 -2.63 0.66 0.00 -1.71 0.00 0.00 66.02 62.24 1i1e s SER 463 CO 0.05 -0.34 1.62 -0.67 1.20 0.00 0.00 173.24 175.09 1i1e n ASP 464 N 1.57 4.51 0.16 5.45 2.03 -1.26 -4.62 116.55 124.39 1i1e n ASP 464 Ca 0.01 -3.12 0.10 0.00 0.52 0.00 0.00 54.79 52.30 1i1e n ASP 464 Cb 0.44 -0.64 0.53 0.00 -0.72 0.00 0.00 41.12 40.72 1i1e n ASP 464 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i1e n ASP 465 N -0.18 0.50 0.22 1.67 8.00 -1.26 -1.21 116.55 124.30 1i1e n ASP 465 Ca 0.29 0.72 0.14 0.00 0.71 0.00 0.00 54.79 56.65 1i1e n ASP 465 Cb 1.12 -0.76 0.45 0.00 -0.02 0.00 0.00 41.12 41.91 1i1e n ASP 465 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1i1e h LEU 466 N 0.00 0.00 -0.14 0.64 3.38 -1.95 -3.03 115.31 114.20 1i1e h LEU 466 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i1e h LEU 466 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1i1e h LEU 466 CO 0.00 0.00 -0.12 -1.54 0.09 0.00 0.00 178.44 176.87 1i1e n SER 467 N -2.92 0.34 -4.85 -0.43 3.41 -0.35 -0.67 113.62 108.15 1i1e n SER 467 Ca 0.02 -0.32 -0.32 0.00 -0.26 0.00 0.00 58.87 57.99 1i1e n SER 467 Cb 0.39 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1i1e n SER 467 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1i1e s LYS 468 N -2.62 3.95 0.88 4.33 1.02 -1.15 -3.73 119.74 122.43 1i1e s LYS 468 Ca 0.25 0.70 -0.13 0.00 0.02 0.00 0.00 55.97 56.81 1i1e s LYS 468 Cb 0.20 -2.34 0.13 0.00 -0.52 0.00 0.00 37.83 35.29 1i1e s LYS 468 CO 0.51 0.01 1.18 -0.80 -0.92 0.00 0.00 175.35 175.33 1i1e s ASN 469 N -2.66 3.80 -0.12 2.83 0.01 -1.26 -3.49 114.94 114.03 1i1e s ASN 469 Ca 0.55 0.76 -0.08 0.00 -0.71 0.00 0.00 52.86 53.37 1i1e s ASN 469 Cb -0.10 -1.20 0.04 0.00 0.41 0.00 0.00 41.25 40.40 1i1e s ASN 469 CO 0.23 -2.35 0.31 -1.61 -1.51 0.00 0.00 177.10 172.17 1i1e s GLU 470 N -5.52 0.31 -0.08 -0.60 2.02 -0.91 -4.94 118.70 108.98 1i1e s GLU 470 Ca 0.65 0.55 -0.23 0.00 0.02 0.00 0.00 54.97 55.95 1i1e s GLU 470 Cb -0.11 0.03 -0.03 0.00 0.10 0.00 0.00 34.13 34.11 1i1e s GLU 470 CO 0.51 -0.11 0.71 1.03 0.02 0.00 0.00 175.26 177.42 1i1e s ARG 471 N 0.83 4.42 -0.23 1.61 0.52 -1.26 -1.80 118.95 123.04 1i1e s ARG 471 Ca -0.05 0.88 -0.07 0.00 -0.52 0.00 0.00 55.73 55.96 1i1e s ARG 471 Cb -0.06 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 1i1e s ARG 471 CO -0.06 0.02 0.07 0.42 0.02 0.00 0.00 175.30 175.77 1i1e s ILE 472 N 0.96 4.41 0.22 1.52 -1.09 -0.78 -4.92 121.20 121.51 1i1e s ILE 472 Ca 0.37 -0.14 0.05 0.00 -2.23 0.00 0.00 60.65 58.69 1i1e s ILE 472 Cb -0.18 -3.04 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 1i1e s ILE 472 CO 0.17 0.37 -0.05 -1.61 -1.23 0.00 0.00 174.94 172.59 1i1e s GLU 473 N 1.31 1.30 0.46 2.79 2.02 -1.26 -2.72 118.70 122.60 1i1e s GLU 473 Ca 0.05 -1.63 0.24 0.00 0.02 0.00 0.00 54.97 53.65 1i1e s GLU 473 Cb -0.15 -0.75 1.30 0.00 0.10 0.00 0.00 34.13 34.63 1i1e s GLU 473 CO 0.03 -0.01 1.69 0.10 0.02 0.00 0.00 175.26 177.10 1i1e h TYR 474 N 2.53 0.00 0.00 1.61 -0.00 -1.86 -2.42 116.97 116.83 1i1e h TYR 474 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.35 1i1e h TYR 474 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.95 1i1e h TYR 474 CO 0.62 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.87 1i1e n ASN 475 N -2.47 0.00 0.00 0.10 5.03 -1.26 -4.79 115.26 111.87 1i1e n ASN 475 Ca -0.02 0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.79 1i1e n ASN 475 Cb 0.24 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1i1e n ASN 475 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1i1e n THR 476 N -1.23 0.00 -4.21 3.41 -1.04 -0.91 -4.99 114.28 105.31 1i1e n THR 476 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1i1e n THR 476 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1i1e n THR 476 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i1e s GLN 477 N 0.00 0.97 0.45 -2.82 -2.07 -1.26 -4.86 119.66 110.08 1i1e s GLN 477 Ca 0.00 -1.43 -0.19 0.00 -1.82 0.00 0.00 55.36 51.92 1i1e s GLN 477 Cb 0.00 -0.28 -0.10 0.00 -1.09 0.00 0.00 33.01 31.54 1i1e s GLN 477 CO 0.00 -0.05 0.94 -1.12 -1.32 0.00 0.00 175.29 173.74 1i1e s SER 478 N -3.11 6.81 -0.12 12.60 0.01 -1.26 -5.01 113.70 123.61 1i1e s SER 478 Ca 0.17 1.60 -0.01 0.00 1.31 0.00 0.00 55.95 59.02 1i1e s SER 478 Cb 0.05 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.81 1i1e s SER 478 CO -0.01 -0.43 -0.03 0.20 0.41 0.00 0.00 173.24 173.39 1i1e s ASN 479 N -2.52 2.23 -0.08 2.44 0.01 -1.26 -5.12 114.94 110.64 1i1e s ASN 479 Ca 0.60 -0.38 0.02 0.00 -0.71 0.00 0.00 52.86 52.39 1i1e s ASN 479 Cb -0.09 -0.68 0.01 0.00 0.41 0.00 0.00 41.25 40.90 1i1e s ASN 479 CO 0.20 -0.19 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.16 1i1e s TYR 480 N 1.81 1.66 -0.23 2.20 1.51 -1.26 -5.08 117.35 117.95 1i1e s TYR 480 Ca 0.03 -0.69 -0.09 0.00 -1.01 0.00 0.00 57.07 55.31 1i1e s TYR 480 Cb -0.14 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1i1e s TYR 480 CO -0.07 -0.37 0.11 0.42 -1.11 0.00 0.00 175.55 174.54 1i1e s ILE 481 N 0.86 4.92 -0.42 2.71 1.01 -1.26 -5.06 121.20 123.95 1i1e s ILE 481 Ca -0.10 0.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.31 1i1e s ILE 481 Cb -0.15 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 39.06 1i1e s ILE 481 CO 0.01 0.36 0.95 -0.70 0.00 0.00 0.00 174.94 175.56 1i1e s GLU 482 N 1.12 3.68 0.00 2.79 2.56 -1.26 -4.88 118.70 122.71 1i1e s GLU 482 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 54.97 55.40 1i1e s GLU 482 Cb -0.14 -3.87 0.00 0.00 2.00 0.00 0.00 34.13 32.12 1i1e s GLU 482 CO 0.04 -1.13 0.51 0.09 -0.56 0.00 0.00 175.26 174.22 1i1e n ASN 483 N 7.08 1.19 -4.45 -1.70 4.13 -1.26 -4.71 115.26 115.54 1i1e n ASN 483 Ca 0.07 -1.74 -0.22 0.00 1.68 0.00 0.00 54.58 54.37 1i1e n ASN 483 Cb 0.48 -0.44 -0.10 0.00 -1.54 0.00 0.00 39.78 38.18 1i1e n ASN 483 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1i1e s ASP 484 N 0.08 2.97 -0.30 6.41 2.15 -1.26 -4.90 116.67 121.82 1i1e s ASP 484 Ca 0.00 -1.17 -0.13 0.00 0.43 0.00 0.00 52.55 51.68 1i1e s ASP 484 Cb 0.00 -0.21 0.16 0.00 -0.30 0.00 0.00 42.92 42.58 1i1e s ASP 484 CO 0.00 -0.28 0.92 0.12 -0.17 0.00 0.00 175.17 175.76 1i1e s PHE 485 N -2.91 -0.82 -0.57 -5.34 5.36 -1.26 -4.91 117.98 107.53 1i1e s PHE 485 Ca 0.29 1.31 -0.27 0.00 -0.96 0.00 0.00 56.93 57.30 1i1e s PHE 485 Cb 0.03 0.45 -0.10 0.00 -0.34 0.00 0.00 43.02 43.06 1i1e s PHE 485 CO 0.12 -0.42 2.46 -0.35 -1.46 0.00 0.00 175.22 175.57 1i1e n PRO 486 N 5.14 0.89 0.32 10.12 -0.04 -1.26 -4.76 135.00 145.40 1i1e n PRO 486 Ca -0.09 0.02 0.19 0.00 -0.04 0.00 0.00 63.50 63.58 1i1e n PRO 486 Cb 0.52 -3.06 1.05 0.00 -0.04 0.00 0.00 33.50 31.96 1i1e n PRO 486 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1i1e h ILE 487 N 7.72 0.29 0.13 0.52 6.09 -1.95 -2.34 117.51 127.97 1i1e h ILE 487 Ca -0.21 -0.02 -0.01 0.00 -1.37 0.00 0.00 64.86 63.25 1i1e h ILE 487 Cb 1.28 1.02 0.00 0.00 0.47 0.00 0.00 36.82 39.59 1i1e h ILE 487 CO 1.19 0.00 -0.06 0.78 -3.07 0.00 0.00 178.15 176.99 1i1e h ASN 488 N 0.00 -0.15 0.08 2.19 2.35 -1.99 -0.61 115.58 117.45 1i1e h ASN 488 Ca -0.00 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.41 1i1e h ASN 488 Cb 0.02 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1i1e h ASN 488 CO 0.00 0.19 -0.28 1.05 -1.65 0.00 0.00 177.43 176.74 1i1e h GLU 489 N -0.49 0.32 -0.80 0.81 4.11 -1.88 -0.62 114.58 116.03 1i1e h GLU 489 Ca -0.02 -0.12 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 1i1e h GLU 489 Cb 0.39 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1i1e h GLU 489 CO 0.03 0.58 0.44 1.25 0.07 0.00 0.00 179.01 181.38 1i1e h LEU 490 N 0.29 1.00 -0.52 3.06 5.85 -1.29 1.53 115.31 125.23 1i1e h LEU 490 Ca 0.04 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.50 1i1e h LEU 490 Cb 0.65 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1i1e h LEU 490 CO 0.05 0.80 -0.69 0.40 -0.34 0.00 0.00 178.44 178.66 1i1e h ILE 491 N 1.11 1.41 -0.00 4.05 2.04 -0.62 -3.16 117.51 122.34 1i1e h ILE 491 Ca 0.28 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.97 1i1e h ILE 491 Cb 0.03 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1i1e h ILE 491 CO -0.05 0.64 -0.57 0.18 0.00 0.00 0.00 178.15 178.36 1i1e n LEU 492 N -3.81 0.81 -4.57 1.44 4.77 -0.28 -4.90 117.00 110.47 1i1e n LEU 492 Ca -0.03 -0.21 -0.49 0.00 -0.03 0.00 0.00 56.01 55.25 1i1e n LEU 492 Cb 0.68 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1i1e n LEU 492 CO 0.46 0.18 0.67 -0.67 -1.33 0.00 0.00 177.39 176.70 1i1e n ASP 493 N -1.25 1.16 0.02 -1.43 2.03 0.52 -4.90 116.55 112.70 1i1e n ASP 493 Ca 0.07 1.14 0.11 0.00 0.52 0.00 0.00 54.79 56.63 1i1e n ASP 493 Cb 0.35 -1.19 -0.07 0.00 -0.72 0.00 0.00 41.12 39.48 1i1e n ASP 493 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1i1e n THR 494 N 1.37 0.13 0.06 5.18 -1.04 -1.26 -4.55 114.28 114.18 1i1e n THR 494 Ca 0.15 -0.33 0.01 0.00 -2.04 0.00 0.00 64.05 61.84 1i1e n THR 494 Cb 0.24 0.20 -0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1i1e n THR 494 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1i1e n ASP 495 N -2.08 0.56 0.18 8.00 8.00 -1.26 -4.74 116.55 125.22 1i1e n ASP 495 Ca -0.00 -0.78 -0.14 0.00 0.71 0.00 0.00 54.79 54.57 1i1e n ASP 495 Cb 0.48 0.53 -0.07 0.00 -0.02 0.00 0.00 41.12 42.04 1i1e n ASP 495 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1i1e h LEU 496 N 0.13 -0.86 -8.90 0.64 5.85 -1.96 -3.39 115.31 106.82 1i1e h LEU 496 Ca 0.00 0.08 -0.57 0.00 0.84 0.00 0.00 57.88 58.23 1i1e h LEU 496 Cb 0.04 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1i1e h LEU 496 CO 0.00 -0.44 0.99 -0.63 -0.34 0.00 0.00 178.44 178.03 1i1e s ILE 497 N -6.03 4.09 0.76 4.05 -1.09 -1.26 -5.00 121.20 116.72 1i1e s ILE 497 Ca -0.16 1.20 -0.15 0.00 -2.23 0.00 0.00 60.65 59.30 1i1e s ILE 497 Cb 0.07 -4.19 0.01 0.00 -1.58 0.00 0.00 42.46 36.76 1i1e s ILE 497 CO 0.64 -0.57 0.78 -0.24 -1.23 0.00 0.00 174.94 174.32 1i1e n SER 498 N 7.92 -0.32 -0.95 3.58 2.88 -1.26 -4.97 113.62 120.50 1i1e n SER 498 Ca 0.15 0.59 0.04 0.00 -1.33 0.00 0.00 58.87 58.32 1i1e n SER 498 Cb 0.47 -1.33 0.08 0.00 -0.75 0.00 0.00 64.21 62.67 1i1e n SER 498 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1i1e n LYS 499 N -1.66 0.52 -3.89 -1.46 2.85 -1.26 -5.06 118.16 108.20 1i1e n LYS 499 Ca 0.11 -2.21 -0.36 0.00 -1.05 0.00 0.00 58.31 54.80 1i1e n LYS 499 Cb 0.50 -0.64 -0.06 0.00 -0.65 0.00 0.00 35.03 34.18 1i1e n LYS 499 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1i1e s ILE 500 N -1.10 5.48 0.11 0.58 -1.09 -1.26 -5.04 121.20 118.88 1i1e s ILE 500 Ca 0.29 0.15 -0.36 0.00 -2.23 0.00 0.00 60.65 58.50 1i1e s ILE 500 Cb 0.30 -3.41 -0.17 0.00 -1.58 0.00 0.00 42.46 37.61 1i1e s ILE 500 CO -0.09 0.58 1.24 1.21 -1.23 0.00 0.00 174.94 176.64 1i1e n GLU 501 N 1.84 1.01 -3.04 2.79 2.13 -1.26 -4.93 120.64 119.18 1i1e n GLU 501 Ca -0.19 0.36 -0.41 0.00 0.66 0.00 0.00 57.16 57.58 1i1e n GLU 501 Cb 0.55 -1.93 -0.06 0.00 0.27 0.00 0.00 31.44 30.27 1i1e n GLU 501 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1i1e s LEU 502 N 0.55 4.08 0.82 4.31 2.96 -1.26 -4.86 118.68 125.27 1i1e s LEU 502 Ca 0.81 0.74 -0.14 0.00 -0.22 0.00 0.00 54.13 55.32 1i1e s LEU 502 Cb -0.95 -2.95 0.04 0.00 0.50 0.00 0.00 46.19 42.82 1i1e s LEU 502 CO 0.50 -0.45 0.81 -2.65 -1.32 0.00 0.00 176.35 173.24 1i1e n PRO 503 N 5.87 0.10 -2.23 0.98 -0.02 -1.26 -4.92 135.00 133.51 1i1e n PRO 503 Ca 0.01 0.09 -0.39 0.00 -2.02 0.00 0.00 63.50 61.19 1i1e n PRO 503 Cb 0.48 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1i1e n PRO 503 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1i1e s SER 504 N -1.90 6.68 0.00 2.55 1.04 -1.26 -4.92 113.70 115.88 1i1e s SER 504 Ca 0.67 2.48 0.24 0.00 0.48 0.00 0.00 55.95 59.82 1i1e s SER 504 Cb -0.29 -2.63 1.14 0.00 0.10 0.00 0.00 66.02 64.34 1i1e s SER 504 CO 0.57 -0.58 1.78 -1.84 0.98 0.00 0.00 173.24 174.15 1i1e n GLU 505 N 0.47 0.23 -3.03 4.02 0.28 -1.26 -4.83 120.64 116.52 1i1e n GLU 505 Ca 0.02 0.07 -0.39 0.00 -0.16 0.00 0.00 57.16 56.71 1i1e n GLU 505 Cb 0.44 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.75 1i1e n GLU 505 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1i1e s ASN 506 N -2.71 7.32 0.09 -1.84 0.01 -1.26 0.25 114.94 116.79 1i1e s ASN 506 Ca 0.19 1.58 -0.04 0.00 -0.71 0.00 0.00 52.86 53.88 1i1e s ASN 506 Cb 0.16 -2.47 0.01 0.00 0.41 0.00 0.00 41.25 39.36 1i1e s ASN 506 CO 0.38 0.20 0.19 1.07 -1.51 0.00 0.00 177.10 177.43 1i1e n THR 507 N 1.50 0.00 -2.24 1.60 5.66 0.19 -4.90 114.28 116.08 1i1e n THR 507 Ca -0.06 -0.22 -0.36 0.00 -3.05 0.00 0.00 64.05 60.36 1i1e n THR 507 Cb 0.49 0.23 -0.00 0.00 -1.55 0.00 0.00 70.33 69.50 1i1e n THR 507 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1i1e s GLU 508 N -2.02 3.54 0.62 1.09 0.41 -1.26 -2.64 118.70 118.43 1i1e s GLU 508 Ca 0.04 1.71 -0.19 0.00 -0.41 0.00 0.00 54.97 56.12 1i1e s GLU 508 Cb -0.01 -2.21 -0.02 0.00 -1.78 0.00 0.00 34.13 30.11 1i1e s GLU 508 CO 0.03 -0.72 1.31 -1.12 -0.49 0.00 0.00 175.26 174.27 1i1e s SER 509 N -1.55 4.83 0.09 -0.19 0.01 -1.26 -4.04 113.70 111.59 1i1e s SER 509 Ca 0.68 2.65 -0.30 0.00 1.31 0.00 0.00 55.95 60.30 1i1e s SER 509 Cb -0.27 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.29 1i1e s SER 509 CO 0.31 -1.86 0.96 -0.22 0.41 0.00 0.00 173.24 172.84 1i1e s LEU 510 N -4.11 4.47 -0.00 2.44 2.96 -1.26 -4.87 118.68 118.32 1i1e s LEU 510 Ca 0.79 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 1i1e s LEU 510 Cb -0.38 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.74 1i1e s LEU 510 CO 0.42 -0.10 0.01 0.35 -1.32 0.00 0.00 176.35 175.71 1i1e n THR 511 N 2.99 0.01 -3.14 3.68 -2.24 -1.26 -4.88 114.28 109.43 1i1e n THR 511 Ca 0.03 -0.01 -0.45 0.00 -2.27 0.00 0.00 64.05 61.34 1i1e n THR 511 Cb 0.50 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1i1e n THR 511 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i1e s ASP 512 N -2.40 6.49 0.00 3.42 -1.08 -1.26 -4.88 116.67 116.95 1i1e s ASP 512 Ca -0.00 -2.02 0.07 0.00 -0.52 0.00 0.00 52.55 50.08 1i1e s ASP 512 Cb 0.00 -2.30 0.23 0.00 -1.46 0.00 0.00 42.92 39.39 1i1e s ASP 512 CO 0.02 -0.92 1.17 0.49 0.52 0.00 0.00 175.17 176.45 1i1e n PHE 513 N 5.60 0.21 -1.67 -5.34 3.01 -1.26 -4.03 117.46 113.97 1i1e n PHE 513 Ca 0.07 -0.10 -0.49 0.00 1.01 0.00 0.00 57.45 57.94 1i1e n PHE 513 Cb 0.46 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.88 1i1e n PHE 513 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1i1e n ASN 514 N -0.04 3.13 -3.56 4.37 5.15 -1.26 -4.70 115.26 118.35 1i1e n ASN 514 Ca 0.07 1.02 -0.13 0.00 -0.60 0.00 0.00 54.58 54.94 1i1e n ASN 514 Cb 0.14 -1.36 -0.05 0.00 -0.53 0.00 0.00 39.78 37.98 1i1e n ASN 514 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1i1e s VAL 515 N 2.84 0.00 -0.15 3.44 0.11 -1.26 -4.47 120.40 120.90 1i1e s VAL 515 Ca 0.88 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.75 1i1e s VAL 515 Cb -0.74 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.07 1i1e s VAL 515 CO 0.48 0.00 0.49 -1.81 -3.33 0.00 0.00 175.10 170.93 1i1e s ASP 516 N -1.10 6.62 -0.26 3.54 1.01 0.55 -4.99 116.67 122.05 1i1e s ASP 516 Ca -0.05 0.74 -0.03 0.00 0.71 0.00 0.00 52.55 53.93 1i1e s ASP 516 Cb -0.00 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.66 1i1e s ASP 516 CO 0.04 -0.07 -0.03 -0.69 0.21 0.00 0.00 175.17 174.63 1i1e s VAL 517 N 1.05 3.14 0.50 -1.27 1.01 -1.26 -4.46 120.40 119.10 1i1e s VAL 517 Ca 0.25 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 1i1e s VAL 517 Cb -0.15 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 1i1e s VAL 517 CO 0.10 0.17 1.00 -2.65 0.00 0.00 0.00 175.10 173.72 1i1e n PRO 518 N 4.72 1.22 -4.11 2.72 -0.02 -1.26 -4.98 135.00 133.29 1i1e n PRO 518 Ca -0.16 0.45 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 1i1e n PRO 518 Cb 0.47 -2.12 -0.16 0.00 -0.02 0.00 0.00 33.50 31.67 1i1e n PRO 518 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i1e s VAL 519 N -1.38 2.10 0.19 -1.45 1.01 -1.26 -4.12 120.40 115.50 1i1e s VAL 519 Ca 0.68 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1i1e s VAL 519 Cb -0.49 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1i1e s VAL 519 CO 0.53 0.51 0.12 -0.31 0.00 0.00 0.00 175.10 175.95 1i1e s TYR 520 N 1.29 3.06 -0.27 5.22 1.51 -0.55 -5.07 117.35 122.53 1i1e s TYR 520 Ca 0.04 -0.07 -0.25 0.00 -1.01 0.00 0.00 57.07 55.78 1i1e s TYR 520 Cb -0.13 -1.44 0.10 0.00 -0.11 0.00 0.00 41.96 40.37 1i1e s TYR 520 CO -0.12 0.53 0.91 -1.83 -1.11 0.00 0.00 175.55 173.92 1i1e s GLU 521 N -3.29 0.65 0.84 -0.62 -1.05 -1.26 -4.72 118.70 109.24 1i1e s GLU 521 Ca 0.31 0.73 -0.11 0.00 -0.15 0.00 0.00 54.97 55.75 1i1e s GLU 521 Cb -0.09 0.31 0.10 0.00 -0.44 0.00 0.00 34.13 34.01 1i1e s GLU 521 CO 0.23 -0.09 1.13 0.15 0.95 0.00 0.00 175.26 177.64 1i1e s LYS 522 N 0.21 1.62 0.09 -4.83 1.02 -1.26 -4.84 119.74 111.74 1i1e s LYS 522 Ca 0.01 1.44 0.02 0.00 0.02 0.00 0.00 55.97 57.47 1i1e s LYS 522 Cb -0.05 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1i1e s LYS 522 CO -0.03 -2.17 -0.08 1.14 -0.92 0.00 0.00 175.35 173.30 1i1e s GLN 523 N -4.63 0.79 0.08 1.68 -2.07 -0.02 -4.86 119.66 110.63 1i1e s GLN 523 Ca 0.66 -1.19 -0.35 0.00 -1.82 0.00 0.00 55.36 52.66 1i1e s GLN 523 Cb -0.22 -0.32 -0.19 0.00 -1.09 0.00 0.00 33.01 31.20 1i1e s GLN 523 CO 0.55 0.02 0.90 -2.30 -1.32 0.00 0.00 175.29 173.15 1i1e n PRO 524 N 0.38 0.13 0.02 9.60 -0.02 -1.26 -1.26 135.00 142.58 1i1e n PRO 524 Ca -0.15 0.04 0.13 0.00 -2.02 0.00 0.00 63.50 61.51 1i1e n PRO 524 Cb 0.59 -1.38 0.44 0.00 -0.02 0.00 0.00 33.50 33.13 1i1e n PRO 524 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i1e n ALA 525 N 1.02 2.73 -3.60 3.55 0.00 -0.87 -4.64 120.51 118.69 1i1e n ALA 525 Ca 0.19 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1i1e n ALA 525 Cb 0.15 -1.34 -0.17 0.00 0.00 0.00 0.00 19.45 18.10 1i1e n ALA 525 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i1e s ILE 526 N -3.03 0.75 -0.20 0.00 1.01 -1.26 0.28 121.20 118.74 1i1e s ILE 526 Ca 0.12 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1i1e s ILE 526 Cb 0.17 -0.74 0.03 0.00 0.01 0.00 0.00 42.46 41.93 1i1e s ILE 526 CO 0.61 0.28 -0.17 -0.75 0.00 0.00 0.00 174.94 174.90 1i1e s LYS 527 N 0.94 2.76 -0.12 2.79 2.20 -0.53 -4.97 119.74 122.81 1i1e s LYS 527 Ca -0.10 -0.96 -0.21 0.00 -0.36 0.00 0.00 55.97 54.34 1i1e s LYS 527 Cb -0.15 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 1i1e s LYS 527 CO 0.00 -0.31 0.59 0.21 -0.36 0.00 0.00 175.35 175.49 1i1e s LYS 528 N 1.25 4.34 0.38 4.03 2.20 -1.26 -0.16 119.74 130.50 1i1e s LYS 528 Ca 0.01 0.64 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 1i1e s LYS 528 Cb -0.15 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.63 1i1e s LYS 528 CO -0.11 0.02 0.05 0.96 -0.36 0.00 0.00 175.35 175.91 1i1e s ILE 529 N 1.03 1.35 -0.08 5.43 -4.36 -0.27 -4.93 121.20 119.38 1i1e s ILE 529 Ca 0.31 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.73 1i1e s ILE 529 Cb -0.16 -2.75 0.01 0.00 1.25 0.00 0.00 42.46 40.81 1i1e s ILE 529 CO 0.13 0.00 -0.18 -0.36 0.24 0.00 0.00 174.94 174.77 1i1e s PHE 530 N -3.08 1.93 -0.28 1.37 0.40 -1.26 -1.56 117.98 115.49 1i1e s PHE 530 Ca 0.32 -0.73 -0.24 0.00 -0.60 0.00 0.00 56.93 55.68 1i1e s PHE 530 Cb 0.08 -1.33 0.12 0.00 0.51 0.00 0.00 43.02 42.39 1i1e s PHE 530 CO 0.15 -0.31 1.00 -0.08 0.70 0.00 0.00 175.22 176.67 1i1e s THR 531 N 0.44 0.00 -2.12 0.64 -1.32 0.05 -4.95 115.64 108.38 1i1e s THR 531 Ca -0.15 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.56 1i1e s THR 531 Cb -0.16 -1.00 0.55 0.00 -1.51 0.00 0.00 72.50 70.38 1i1e s THR 531 CO 0.06 0.00 1.47 0.47 -2.21 0.00 0.00 174.62 174.41 1i1e n ASP 532 N 2.35 3.73 -4.77 8.08 8.00 -1.26 -4.01 116.55 128.67 1i1e n ASP 532 Ca -0.13 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 52.97 1i1e n ASP 532 Cb 0.56 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 1i1e n ASP 532 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1i1e s GLU 533 N -1.18 4.32 -0.71 -1.24 0.41 -1.26 -4.97 118.70 114.06 1i1e s GLU 533 Ca 0.44 2.27 0.05 0.00 -0.41 0.00 0.00 54.97 57.31 1i1e s GLU 533 Cb 0.24 -3.07 0.17 0.00 -1.78 0.00 0.00 34.13 29.69 1i1e s GLU 533 CO 0.32 -0.26 0.50 -0.80 -0.49 0.00 0.00 175.26 174.53 1i1e s ASN 534 N -0.32 4.88 0.00 -0.19 0.01 -1.26 -4.88 114.94 113.19 1i1e s ASN 534 Ca 0.51 -3.84 0.00 0.00 -0.71 0.00 0.00 52.86 48.82 1i1e s ASN 534 Cb -0.41 -1.65 0.00 0.00 0.41 0.00 0.00 41.25 39.60 1i1e s ASN 534 CO 0.53 -0.09 0.00 1.07 -1.51 0.00 0.00 177.10 177.10 1i1e n THR 535 N 2.00 0.00 -0.30 1.60 5.66 -1.26 -4.77 114.28 117.21 1i1e n THR 535 Ca 0.20 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.30 1i1e n THR 535 Cb 0.35 -0.35 0.27 0.00 -1.55 0.00 0.00 70.33 69.05 1i1e n THR 535 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 1i1e h ILE 536 N 0.00 0.54 -0.09 1.09 2.10 -1.65 -1.30 117.51 118.20 1i1e h ILE 536 Ca 0.00 -0.15 -0.01 0.00 1.08 0.00 0.00 64.86 65.78 1i1e h ILE 536 Cb 0.00 0.06 -0.00 0.00 -1.09 0.00 0.00 36.82 35.79 1i1e h ILE 536 CO 0.00 0.08 0.02 -0.26 -1.08 0.00 0.00 178.15 176.91 1i1e h PHE 537 N 0.44 0.15 -0.48 2.19 -1.00 -1.94 -1.25 116.94 115.05 1i1e h PHE 537 Ca 0.52 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 61.24 1i1e h PHE 537 Cb 0.92 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.42 1i1e h PHE 537 CO -0.14 0.32 0.14 1.96 -1.61 0.00 0.00 178.31 178.98 1i1e h GLN 538 N -0.05 0.75 -0.82 1.51 7.50 -1.78 -1.67 115.11 120.54 1i1e h GLN 538 Ca 0.03 -0.17 -0.02 0.00 0.50 0.00 0.00 58.65 58.99 1i1e h GLN 538 Cb 0.24 -0.11 -0.04 0.00 0.05 0.00 0.00 27.48 27.63 1i1e h GLN 538 CO -0.00 0.72 0.42 1.88 -1.50 0.00 0.00 178.83 180.35 1i1e h TYR 539 N 0.64 1.16 -0.29 2.96 -1.99 -1.20 -0.37 116.97 117.87 1i1e h TYR 539 Ca 0.15 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.76 1i1e h TYR 539 Cb 0.29 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 38.64 1i1e h TYR 539 CO 0.02 0.82 -0.17 -0.07 -0.00 0.00 0.00 178.16 178.76 1i1e h LEU 540 N 1.15 0.51 -0.21 3.88 3.38 -1.09 -3.04 115.31 119.89 1i1e h LEU 540 Ca 0.29 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1i1e h LEU 540 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1i1e h LEU 540 CO -0.04 0.69 0.02 0.22 0.09 0.00 0.00 178.44 179.42 1i1e h TYR 541 N 0.47 0.38 0.00 1.13 3.20 -0.54 -2.70 116.97 118.91 1i1e h TYR 541 Ca 0.08 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1i1e h TYR 541 Cb 0.56 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1i1e h TYR 541 CO 0.02 0.52 0.21 0.66 -1.64 0.00 0.00 178.16 177.93 1i1e h SER 542 N 0.14 0.00 -0.61 -2.11 4.64 -0.97 0.15 113.55 114.78 1i1e h SER 542 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1i1e h SER 542 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1i1e h SER 542 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1i1e n GLN 543 N -2.30 2.72 -4.49 4.77 6.02 -1.02 -1.42 117.38 121.66 1i1e n GLN 543 Ca -0.01 -2.32 -0.29 0.00 -0.01 0.00 0.00 57.00 54.37 1i1e n GLN 543 Cb 0.25 -1.58 -0.08 0.00 1.02 0.00 0.00 30.24 29.84 1i1e n GLN 543 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1i1e s THR 544 N -1.35 1.76 -0.03 5.09 -4.23 0.52 -4.78 115.64 112.62 1i1e s THR 544 Ca 0.43 -1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 58.87 1i1e s THR 544 Cb 0.24 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1i1e s THR 544 CO 0.26 0.00 0.39 0.72 -0.54 0.00 0.00 174.62 175.45 1i1e s PHE 545 N -2.75 -0.29 0.76 3.99 -0.12 -1.26 -4.85 117.98 113.47 1i1e s PHE 545 Ca 0.27 0.50 -0.15 0.00 -0.05 0.00 0.00 56.93 57.49 1i1e s PHE 545 Cb 0.05 0.16 0.03 0.00 -0.63 0.00 0.00 43.02 42.63 1i1e s PHE 545 CO 0.14 -0.41 1.00 -2.30 -0.05 0.00 0.00 175.22 173.60 1i1e n PRO 546 N 1.35 0.36 0.23 1.99 -0.02 -1.26 -4.93 135.00 132.71 1i1e n PRO 546 Ca -0.20 0.18 0.10 0.00 -2.02 0.00 0.00 63.50 61.56 1i1e n PRO 546 Cb 0.56 -2.27 0.48 0.00 -0.02 0.00 0.00 33.50 32.26 1i1e n PRO 546 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1i1e h LEU 547 N -0.54 0.00 -0.90 2.45 3.38 -2.01 -2.98 115.31 114.71 1i1e h LEU 547 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1i1e h LEU 547 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1i1e h LEU 547 CO 0.46 0.22 0.00 -0.90 0.09 0.00 0.00 178.44 178.31 1i1e n ASP 548 N -3.41 1.32 -4.31 -0.43 5.68 -1.26 -4.79 116.55 109.34 1i1e n ASP 548 Ca -0.00 -1.95 -0.32 0.00 -0.50 0.00 0.00 54.79 52.02 1i1e n ASP 548 Cb 0.41 -0.15 -0.15 0.00 -1.14 0.00 0.00 41.12 40.08 1i1e n ASP 548 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1i1e s ILE 549 N -1.69 2.58 -0.01 2.12 -1.09 -1.13 -5.01 121.20 116.98 1i1e s ILE 549 Ca 0.19 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1i1e s ILE 549 Cb 0.10 -2.03 -0.01 0.00 -1.58 0.00 0.00 42.46 38.94 1i1e s ILE 549 CO 0.13 0.55 0.01 -2.11 -1.23 0.00 0.00 174.94 172.29 1i1e n ARG 550 N 3.35 1.94 -3.66 2.79 1.85 -1.26 -4.86 116.66 116.81 1i1e n ARG 550 Ca -0.18 -0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.27 1i1e n ARG 550 Cb 0.53 -0.87 -0.12 0.00 -1.05 0.00 0.00 32.46 30.95 1i1e n ARG 550 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1i1e s ASP 551 N -1.76 5.54 0.25 2.89 2.15 -1.26 -4.74 116.67 119.74 1i1e s ASP 551 Ca -0.00 -0.95 0.03 0.00 0.43 0.00 0.00 52.55 52.06 1i1e s ASP 551 Cb 0.00 -1.97 -0.05 0.00 -0.30 0.00 0.00 42.92 40.60 1i1e s ASP 551 CO 0.02 -0.33 0.02 0.27 -0.17 0.00 0.00 175.17 174.98 1i1e s ILE 552 N 1.52 0.95 0.00 4.11 -4.36 -1.26 -4.78 121.20 117.37 1i1e s ILE 552 Ca 0.01 -2.02 -0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1i1e s ILE 552 Cb -0.19 -2.45 -0.00 0.00 1.25 0.00 0.00 42.46 41.07 1i1e s ILE 552 CO 0.05 -0.23 0.01 -0.94 0.24 0.00 0.00 174.94 174.07 1i1e s SER 553 N -3.33 0.04 0.57 4.36 1.04 -0.66 -4.86 113.70 110.86 1i1e s SER 553 Ca 0.31 -0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.51 1i1e s SER 553 Cb 0.07 0.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 1i1e s SER 553 CO 0.10 -0.07 1.02 -0.76 0.98 0.00 0.00 173.24 174.51 1i1e s LEU 554 N -0.31 3.48 -0.08 2.42 1.43 -1.26 -1.73 118.68 122.63 1i1e s LEU 554 Ca -0.03 1.62 -0.14 0.00 -1.03 0.00 0.00 54.13 54.55 1i1e s LEU 554 Cb -0.02 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.72 1i1e s LEU 554 CO -0.00 -0.88 0.35 0.28 0.23 0.00 0.00 176.35 176.33 1i1e s THR 555 N -2.70 0.03 -1.33 5.49 -1.32 0.38 -4.82 115.64 111.37 1i1e s THR 555 Ca 0.60 -0.22 0.28 0.00 -1.21 0.00 0.00 61.69 61.14 1i1e s THR 555 Cb -0.12 -0.58 0.29 0.00 -1.51 0.00 0.00 72.50 70.58 1i1e s THR 555 CO 0.39 -0.12 1.77 -1.54 -2.21 0.00 0.00 174.62 172.91 1i1e n SER 556 N 2.08 0.36 -4.54 8.08 3.41 -1.26 -1.98 113.62 119.77 1i1e n SER 556 Ca -0.17 -0.22 -0.43 0.00 -0.26 0.00 0.00 58.87 57.79 1i1e n SER 556 Cb 0.57 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1i1e n SER 556 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1i1e s SER 557 N -2.73 6.40 0.23 4.04 0.15 -1.26 -4.87 113.70 115.65 1i1e s SER 557 Ca 0.21 -0.17 -0.08 0.00 0.70 0.00 0.00 55.95 56.61 1i1e s SER 557 Cb 0.19 -2.39 0.23 0.00 -1.71 0.00 0.00 66.02 62.34 1i1e s SER 557 CO 0.54 -0.96 1.88 0.15 1.20 0.00 0.00 173.24 176.04 1i1e h PHE 558 N 9.03 1.00 -0.30 3.44 3.57 -1.97 -1.83 116.94 129.88 1i1e h PHE 558 Ca -0.25 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.16 1i1e h PHE 558 Cb 1.08 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1i1e h PHE 558 CO 0.81 0.59 -0.31 -0.44 -2.23 0.00 0.00 178.31 176.73 1i1e h ASP 559 N 1.05 0.66 0.22 0.41 3.32 -1.99 -2.65 116.42 117.44 1i1e h ASP 559 Ca 0.32 -0.26 -0.18 0.00 0.02 0.00 0.00 57.03 56.94 1i1e h ASP 559 Cb -0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1i1e h ASP 559 CO -0.10 0.93 -0.68 0.44 -1.72 0.00 0.00 179.24 178.11 1i1e h ASP 560 N 0.55 0.49 -0.51 6.45 3.32 -1.94 -2.35 116.42 122.43 1i1e h ASP 560 Ca 0.07 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.82 1i1e h ASP 560 Cb 0.80 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 1i1e h ASP 560 CO 0.07 1.03 0.34 0.00 -1.72 0.00 0.00 179.24 178.95 1i1e h ALA 561 N 0.97 1.66 0.16 3.45 0.00 -1.10 0.95 119.26 125.34 1i1e h ALA 561 Ca -0.02 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1i1e h ALA 561 Cb 1.24 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 18.86 1i1e h ALA 561 CO 0.12 0.31 -1.31 -0.07 0.00 0.00 0.00 179.25 178.29 1i1e h LEU 562 N 0.67 0.85 -0.37 0.00 3.38 -1.36 -3.35 115.31 115.14 1i1e h LEU 562 Ca 0.19 -0.82 -0.06 0.00 0.09 0.00 0.00 57.88 57.28 1i1e h LEU 562 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1i1e h LEU 562 CO -0.04 1.63 -0.02 0.25 0.09 0.00 0.00 178.44 180.35 1i1e h LEU 563 N 0.24 0.66 -8.60 1.67 5.85 -0.88 -3.42 115.31 110.82 1i1e h LEU 563 Ca -0.20 -0.32 -0.65 0.00 0.84 0.00 0.00 57.88 57.55 1i1e h LEU 563 Cb 1.99 -0.18 -0.24 0.00 0.37 0.00 0.00 40.66 42.60 1i1e h LEU 563 CO 0.25 0.82 -0.66 -0.36 -0.34 0.00 0.00 178.44 178.14 1i1e s PHE 564 N -4.96 3.03 0.62 1.25 0.40 0.28 -4.98 117.98 113.62 1i1e s PHE 564 Ca -0.13 -0.57 0.34 0.00 -0.60 0.00 0.00 56.93 55.97 1i1e s PHE 564 Cb 0.10 -2.15 1.99 0.00 0.51 0.00 0.00 43.02 43.47 1i1e s PHE 564 CO 0.79 -0.36 2.27 0.66 0.70 0.00 0.00 175.22 179.27 1i1e h SER 565 N 7.92 0.00 -0.58 1.36 4.64 -1.83 -1.03 113.55 124.04 1i1e h SER 565 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1i1e h SER 565 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1i1e h SER 565 CO 0.60 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.10 1i1e n ASN 566 N -3.58 3.57 -4.27 4.97 6.94 -1.26 -4.65 115.26 116.98 1i1e n ASN 566 Ca -0.03 -2.15 -0.32 0.00 -0.02 0.00 0.00 54.58 52.06 1i1e n ASN 566 Cb 0.11 -0.46 -0.16 0.00 -2.36 0.00 0.00 39.78 36.91 1i1e n ASN 566 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1i1e s LYS 567 N -1.44 3.08 -0.03 -3.83 -0.14 -0.39 -1.65 119.74 115.35 1i1e s LYS 567 Ca 0.41 -0.83 0.07 0.00 -1.36 0.00 0.00 55.97 54.27 1i1e s LYS 567 Cb 0.24 -2.38 -0.02 0.00 -1.68 0.00 0.00 37.83 33.99 1i1e s LYS 567 CO 0.25 0.22 -0.23 0.08 -0.76 0.00 0.00 175.35 174.91 1i1e s VAL 568 N 0.27 1.84 0.25 3.17 1.01 -0.71 -4.61 120.40 121.62 1i1e s VAL 568 Ca -0.15 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 1i1e s VAL 568 Cb -0.17 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 1i1e s VAL 568 CO 0.07 0.52 1.00 -0.47 0.00 0.00 0.00 175.10 176.22 1i1e s TYR 569 N -0.43 3.84 -0.02 5.22 5.04 -0.51 -0.47 117.35 130.03 1i1e s TYR 569 Ca 0.06 1.84 0.00 0.00 -2.44 0.00 0.00 57.07 56.53 1i1e s TYR 569 Cb -0.10 -3.09 0.02 0.00 0.35 0.00 0.00 41.96 39.14 1i1e s TYR 569 CO 0.00 0.09 0.00 0.45 -1.34 0.00 0.00 175.55 174.76 1i1e s SER 570 N -1.04 0.29 0.00 4.32 0.15 -0.84 -4.60 113.70 111.98 1i1e s SER 570 Ca 0.42 -0.01 0.20 0.00 0.70 0.00 0.00 55.95 57.26 1i1e s SER 570 Cb -0.28 -0.14 0.57 0.00 -1.71 0.00 0.00 66.02 64.46 1i1e s SER 570 CO 0.35 -0.08 1.45 2.22 1.20 0.00 0.00 173.24 178.39 1i1e n PHE 571 N 3.88 0.40 -2.01 3.44 1.16 -1.26 -4.50 117.46 118.57 1i1e n PHE 571 Ca -0.24 -0.20 -0.28 0.00 -1.87 0.00 0.00 57.45 54.86 1i1e n PHE 571 Cb 0.52 0.00 0.12 0.00 -1.61 0.00 0.00 39.48 38.52 1i1e n PHE 571 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1i1e s PHE 572 N -1.60 2.35 0.72 2.97 2.99 -1.26 -4.88 117.98 119.27 1i1e s PHE 572 Ca 0.34 0.47 -0.16 0.00 0.00 0.00 0.00 56.93 57.58 1i1e s PHE 572 Cb 0.19 -3.64 -0.01 0.00 0.00 0.00 0.00 43.02 39.56 1i1e s PHE 572 CO 0.27 -2.03 0.84 -1.13 -0.00 0.00 0.00 175.22 173.17 1i1e n SER 573 N -3.38 -0.00 -0.28 1.36 3.41 -1.26 -4.80 113.62 108.67 1i1e n SER 573 Ca 0.11 0.65 0.04 0.00 -0.26 0.00 0.00 58.87 59.41 1i1e n SER 573 Cb 0.60 -1.35 0.26 0.00 -0.26 0.00 0.00 64.21 63.46 1i1e n SER 573 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1i1e h MET 574 N -0.29 0.95 -0.60 4.33 4.05 -1.97 -1.20 114.93 120.20 1i1e h MET 574 Ca -0.47 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 58.81 1i1e h MET 574 Cb 1.34 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.90 1i1e h MET 574 CO 0.46 0.63 0.04 0.22 0.23 0.00 0.00 176.91 178.49 1i1e h ASP 575 N 0.98 0.98 -0.75 1.39 -0.00 -2.00 -2.42 116.42 114.59 1i1e h ASP 575 Ca 0.37 -0.25 -0.06 0.00 -0.00 0.00 0.00 57.03 57.09 1i1e h ASP 575 Cb 0.19 -0.26 -0.03 0.00 -0.00 0.00 0.00 39.33 39.22 1i1e h ASP 575 CO -0.13 1.01 0.24 0.22 -0.00 0.00 0.00 179.24 180.58 1i1e h TYR 576 N 0.94 1.21 -0.20 0.28 3.20 -1.59 -2.37 116.97 118.44 1i1e h TYR 576 Ca 0.18 -0.12 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 1i1e h TYR 576 Cb 0.49 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1i1e h TYR 576 CO 0.03 0.95 -0.32 0.82 -1.64 0.00 0.00 178.16 178.00 1i1e h ILE 577 N 1.12 1.28 -0.08 1.81 2.04 -1.12 -1.00 117.51 121.57 1i1e h ILE 577 Ca 0.24 -1.37 -0.19 0.00 1.00 0.00 0.00 64.86 64.54 1i1e h ILE 577 Cb 0.31 1.48 0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1i1e h ILE 577 CO -0.01 0.43 -0.69 0.11 0.00 0.00 0.00 178.15 177.99 1i1e h LYS 578 N 0.35 0.60 -0.58 2.37 1.57 -1.30 -2.81 116.57 116.78 1i1e h LYS 578 Ca 0.04 -0.55 -0.11 0.00 -1.87 0.00 0.00 60.65 58.17 1i1e h LYS 578 Cb 0.74 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1i1e h LYS 578 CO 0.06 1.17 -0.05 1.15 -0.57 0.00 0.00 179.45 181.20 1i1e h THR 579 N 0.23 1.27 -0.38 -0.16 2.02 -1.39 -1.91 112.91 112.59 1i1e h THR 579 Ca -0.07 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 1i1e h THR 579 Cb 1.35 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1i1e h THR 579 CO 0.14 0.43 0.16 0.00 0.37 0.00 0.00 175.52 176.62 1i1e h ALA 580 N 0.98 1.58 -0.01 6.16 0.00 -1.20 -1.91 119.26 124.86 1i1e h ALA 580 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1i1e h ALA 580 Cb 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1i1e h ALA 580 CO 0.04 0.34 -0.18 0.09 0.00 0.00 0.00 179.25 179.53 1i1e n ASN 581 N -4.40 1.03 -4.74 0.00 3.02 -1.04 -4.93 115.26 104.20 1i1e n ASN 581 Ca 0.02 -0.97 -0.41 0.00 -0.03 0.00 0.00 54.58 53.19 1i1e n ASN 581 Cb 0.13 0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 1i1e n ASN 581 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1i1e s LYS 582 N -2.39 4.35 -0.16 3.52 2.20 -0.72 -5.03 119.74 121.51 1i1e s LYS 582 Ca 0.28 2.15 -0.03 0.00 -0.36 0.00 0.00 55.97 58.02 1i1e s LYS 582 Cb 0.20 -3.15 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 1i1e s LYS 582 CO 0.48 -0.30 -0.06 0.08 -0.36 0.00 0.00 175.35 175.19 1i1e s VAL 583 N -0.08 3.58 0.41 4.02 1.01 -1.26 -5.05 120.40 123.03 1i1e s VAL 583 Ca 0.57 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1i1e s VAL 583 Cb -0.39 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1i1e s VAL 583 CO 0.41 0.49 0.10 0.68 0.00 0.00 0.00 175.10 176.79 1i1e s VAL 584 N 0.52 0.78 0.54 2.92 -7.23 -1.26 -5.14 120.40 111.53 1i1e s VAL 584 Ca -0.05 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.93 1i1e s VAL 584 Cb -0.15 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 1i1e s VAL 584 CO 0.03 0.00 1.09 -1.61 -0.31 0.00 0.00 175.10 174.31 1i1e s GLU 585 N -3.76 3.42 0.35 4.82 0.41 -1.26 -4.82 118.70 117.86 1i1e s GLU 585 Ca 0.24 1.48 0.08 0.00 -0.41 0.00 0.00 54.97 56.35 1i1e s GLU 585 Cb 0.03 -2.03 0.78 0.00 -1.78 0.00 0.00 34.13 31.14 1i1e s GLU 585 CO 0.13 -0.77 1.88 0.00 -0.49 0.00 0.00 175.26 176.02 1i1e h ALA 586 N 1.10 1.79 0.00 5.21 0.00 -1.99 0.37 119.26 125.74 1i1e h ALA 586 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1i1e h ALA 586 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1i1e h ALA 586 CO 0.57 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1i1e n GLY 587 N -1.43 -0.87 0.00 0.00 0.00 -1.26 -2.09 105.19 99.54 1i1e n GLY 587 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1i1e n GLY 587 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i1e n LEU 588 N -1.52 1.14 0.00 0.99 4.77 0.12 -4.75 117.00 117.73 1i1e n LEU 588 Ca 0.03 -1.13 -0.11 0.00 -0.03 0.00 0.00 56.01 54.76 1i1e n LEU 588 Cb 0.13 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1i1e n LEU 588 CO 0.10 0.28 0.88 0.15 -1.33 0.00 0.00 177.39 177.47 1i1e h PHE 589 N 0.02 0.10 -0.25 -1.77 3.57 -0.60 -1.59 116.94 116.43 1i1e h PHE 589 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1i1e h PHE 589 Cb 0.07 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 1i1e h PHE 589 CO 0.00 0.11 -0.18 0.00 -2.23 0.00 0.00 178.31 176.02 1i1e h ALA 590 N 0.98 -0.00 -0.23 2.41 0.00 -1.86 0.98 119.26 121.54 1i1e h ALA 590 Ca 0.03 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1i1e h ALA 590 Cb 0.04 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1i1e h ALA 590 CO -0.01 -0.59 -0.11 0.78 0.00 0.00 0.00 179.25 179.33 1i1e h GLY 591 N -0.16 0.09 0.72 0.00 0.00 -1.84 -2.08 103.07 99.79 1i1e h GLY 591 Ca 0.14 0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.67 1i1e h GLY 591 CO -0.35 -0.13 0.53 -0.25 0.00 0.00 0.00 176.54 176.35 1i1e h TRP 592 N -0.08 0.99 0.22 5.60 7.01 -0.49 -1.34 115.95 127.86 1i1e h TRP 592 Ca 0.12 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1i1e h TRP 592 Cb 0.26 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1i1e h TRP 592 CO -0.28 0.50 -0.12 0.28 -2.79 0.00 0.00 178.44 176.03 1i1e h VAL 593 N 0.98 0.75 -0.81 2.65 2.07 -0.19 0.73 116.25 122.42 1i1e h VAL 593 Ca 0.38 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.98 1i1e h VAL 593 Cb 0.17 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1i1e h VAL 593 CO -0.17 0.00 0.47 0.50 0.02 0.00 0.00 177.57 178.39 1i1e h LYS 594 N -0.32 0.78 0.33 1.57 3.64 -1.13 -0.99 116.57 120.45 1i1e h LYS 594 Ca -0.02 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1i1e h LYS 594 Cb 0.26 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1i1e h LYS 594 CO 0.03 0.51 -0.16 0.37 -2.27 0.00 0.00 179.45 177.94 1i1e h GLN 595 N 0.80 -0.43 -0.09 1.90 4.15 -0.65 -0.02 115.11 120.78 1i1e h GLN 595 Ca 0.39 0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.70 1i1e h GLN 595 Cb 0.33 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1i1e h GLN 595 CO -0.23 -0.26 -0.55 0.97 -1.93 0.00 0.00 178.83 176.82 1i1e h ILE 596 N -0.47 1.36 -0.32 2.39 6.09 -0.65 -1.20 117.51 124.71 1i1e h ILE 596 Ca -0.05 -1.86 -0.09 0.00 -1.37 0.00 0.00 64.86 61.50 1i1e h ILE 596 Cb 0.36 1.91 -0.01 0.00 0.47 0.00 0.00 36.82 39.55 1i1e h ILE 596 CO 0.07 0.55 -0.16 0.58 -3.07 0.00 0.00 178.15 176.13 1i1e h VAL 597 N 0.20 1.29 -0.76 2.19 2.07 -1.15 -0.80 116.25 119.29 1i1e h VAL 597 Ca 0.00 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1i1e h VAL 597 Cb 1.03 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1i1e h VAL 597 CO 0.09 0.41 0.41 -1.13 0.02 0.00 0.00 177.57 177.37 1i1e h ASN 598 N 0.44 0.95 -0.50 0.57 -1.24 -0.84 -2.11 115.58 112.86 1i1e h ASN 598 Ca 0.07 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1i1e h ASN 598 Cb 0.69 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 1i1e h ASN 598 CO 0.05 0.77 0.12 0.44 -1.29 0.00 0.00 177.43 177.51 1i1e h ASP 599 N 1.07 0.76 -0.62 1.15 3.32 -0.88 -2.01 116.42 119.20 1i1e h ASP 599 Ca 0.27 -0.24 0.10 0.00 0.02 0.00 0.00 57.03 57.18 1i1e h ASP 599 Cb 0.04 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.31 1i1e h ASP 599 CO -0.04 0.80 0.24 0.15 -1.72 0.00 0.00 179.24 178.67 1i1e h PHE 600 N 0.69 0.42 -0.33 4.55 3.57 -0.49 0.22 116.94 125.57 1i1e h PHE 600 Ca 0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1i1e h PHE 600 Cb 0.34 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1i1e h PHE 600 CO 0.02 0.11 0.16 0.28 -2.23 0.00 0.00 178.31 176.65 1i1e h VAL 601 N 0.43 1.16 -0.35 1.41 2.07 -1.24 0.53 116.25 120.26 1i1e h VAL 601 Ca 0.32 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1i1e h VAL 601 Cb 0.39 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1i1e h VAL 601 CO -0.31 0.17 0.22 0.40 0.02 0.00 0.00 177.57 178.06 1i1e h ILE 602 N 0.39 1.11 -0.01 4.57 2.04 -0.56 0.36 117.51 125.41 1i1e h ILE 602 Ca 0.11 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1i1e h ILE 602 Cb 0.12 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1i1e h ILE 602 CO -0.01 0.11 -0.02 -0.33 0.00 0.00 0.00 178.15 177.90 1i1e h GLU 603 N 0.46 -0.02 -0.59 2.37 4.39 -0.35 -2.33 114.58 118.50 1i1e h GLU 603 Ca 0.13 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1i1e h GLU 603 Cb -0.01 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1i1e h GLU 603 CO -0.02 -0.02 0.27 0.00 -1.16 0.00 0.00 179.01 178.08 1i1e h ALA 604 N 0.98 1.37 0.00 3.43 0.00 -0.67 -1.92 119.26 122.46 1i1e h ALA 604 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1i1e h ALA 604 Cb 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1i1e h ALA 604 CO -0.02 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.80 1i1e n ASN 605 N -4.35 0.14 0.00 0.00 5.03 0.12 -2.33 115.26 113.87 1i1e n ASN 605 Ca 0.05 0.55 0.06 0.00 0.87 0.00 0.00 54.58 56.11 1i1e n ASN 605 Cb 0.14 -0.57 0.27 0.00 -1.02 0.00 0.00 39.78 38.60 1i1e n ASN 605 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1i1e n LYS 606 N -1.67 0.06 0.00 3.52 5.02 -0.72 -2.16 118.16 122.21 1i1e n LYS 606 Ca 0.02 0.25 0.03 0.00 -2.02 0.00 0.00 58.31 56.58 1i1e n LYS 606 Cb 0.10 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.74 1i1e n LYS 606 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1i1e n SER 607 N -1.42 0.00 -1.70 4.39 3.41 -0.98 -1.20 113.62 116.11 1i1e n SER 607 Ca 0.04 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.21 1i1e n SER 607 Cb 0.12 -0.49 0.38 0.00 -0.26 0.00 0.00 64.21 63.97 1i1e n SER 607 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1i1e n ASN 608 N -1.49 5.34 -4.73 4.04 0.23 -0.92 -4.46 115.26 113.27 1i1e n ASN 608 Ca 0.01 -2.88 -0.42 0.00 -0.53 0.00 0.00 54.58 50.77 1i1e n ASN 608 Cb 0.07 -0.65 -0.03 0.00 -2.08 0.00 0.00 39.78 37.09 1i1e n ASN 608 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1i1e s THR 609 N -2.66 2.49 0.23 5.53 2.01 -0.34 -4.89 115.64 118.02 1i1e s THR 609 Ca 0.52 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.95 1i1e s THR 609 Cb 0.39 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1i1e s THR 609 CO 0.16 0.04 0.36 -0.04 -0.69 0.00 0.00 174.62 174.45 1i1e s MET 610 N 0.45 3.44 -0.34 4.92 -1.94 -1.26 -1.40 119.30 123.17 1i1e s MET 610 Ca 0.66 -0.74 0.15 0.00 -1.71 0.00 0.00 55.69 54.05 1i1e s MET 610 Cb -0.44 -2.89 0.44 0.00 2.01 0.00 0.00 34.83 33.94 1i1e s MET 610 CO 0.37 0.43 1.20 -3.47 -0.01 0.00 0.00 175.02 173.54 1i1e n ASP 611 N -1.35 -0.06 -0.33 3.03 2.03 -0.51 -4.93 116.55 114.44 1i1e n ASP 611 Ca -0.09 -2.45 0.17 0.00 0.52 0.00 0.00 54.79 52.94 1i1e n ASP 611 Cb 0.57 0.16 0.40 0.00 -0.72 0.00 0.00 41.12 41.53 1i1e n ASP 611 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1i1e h LYS 612 N 2.33 0.58 0.00 -0.67 1.79 -1.82 -0.79 116.57 117.98 1i1e h LYS 612 Ca -0.22 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1i1e h LYS 612 Cb 1.25 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1i1e h LYS 612 CO 0.16 0.39 -0.02 0.97 -1.08 0.00 0.00 179.45 179.87 1i1e h ILE 613 N 0.60 0.99 -0.46 1.86 6.09 -1.87 0.13 117.51 124.85 1i1e h ILE 613 Ca 0.58 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 64.02 1i1e h ILE 613 Cb 1.13 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.45 1i1e h ILE 613 CO -0.35 0.01 0.00 0.00 -3.07 0.00 0.00 178.15 174.74 1i1e n ALA 614 N -2.53 2.62 -3.55 0.18 0.00 -0.33 -4.91 120.51 111.99 1i1e n ALA 614 Ca -0.03 -0.92 -0.21 0.00 0.00 0.00 0.00 53.44 52.27 1i1e n ALA 614 Cb 0.10 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.65 1i1e n ALA 614 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1i1e n ASP 615 N 0.81 -4.33 -3.66 0.00 8.00 0.46 -5.00 116.55 112.84 1i1e n ASP 615 Ca 0.17 -0.59 -0.26 0.00 0.71 0.00 0.00 54.79 54.81 1i1e n ASP 615 Cb 0.50 -4.99 -0.17 0.00 -0.02 0.00 0.00 41.12 36.44 1i1e n ASP 615 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i1e s ILE 616 N -3.35 0.11 0.18 0.53 1.01 -1.04 -4.97 121.20 113.68 1i1e s ILE 616 Ca 0.33 -0.26 0.11 0.00 0.00 0.00 0.00 60.65 60.83 1i1e s ILE 616 Cb -0.15 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1i1e s ILE 616 CO 0.74 -0.23 1.53 0.28 0.00 0.00 0.00 174.94 177.26 1i1e h SER 617 N 8.36 0.00 -3.55 3.58 0.02 -1.93 -1.28 113.55 118.76 1i1e h SER 617 Ca -0.15 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.47 1i1e h SER 617 Cb 1.14 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.35 1i1e h SER 617 CO 0.30 0.68 -0.74 -0.22 -1.14 0.00 0.00 176.83 175.70 1i1e s LEU 618 N -7.19 1.29 -0.14 5.07 2.96 -1.26 -4.24 118.68 115.16 1i1e s LEU 618 Ca -0.00 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.79 1i1e s LEU 618 Cb 0.11 -0.18 0.04 0.00 0.50 0.00 0.00 46.19 46.67 1i1e s LEU 618 CO 0.76 -0.08 0.36 -0.51 -1.32 0.00 0.00 176.35 175.56 1i1e s ILE 619 N 0.85 -0.02 -0.72 6.68 1.10 -0.49 -4.96 121.20 123.64 1i1e s ILE 619 Ca -0.08 0.06 -0.08 0.00 -0.51 0.00 0.00 60.65 60.04 1i1e s ILE 619 Cb -0.12 -0.52 0.19 0.00 0.15 0.00 0.00 42.46 42.16 1i1e s ILE 619 CO -0.02 0.02 0.59 -0.69 -2.11 0.00 0.00 174.94 172.74 1i1e s VAL 620 N 0.78 4.54 0.46 4.00 1.01 -1.26 -3.45 120.40 126.47 1i1e s VAL 620 Ca -0.05 -2.79 0.28 0.00 0.00 0.00 0.00 61.98 59.42 1i1e s VAL 620 Cb -0.06 -3.87 0.48 0.00 0.00 0.00 0.00 36.38 32.93 1i1e s VAL 620 CO -0.06 -0.95 1.73 1.55 0.00 0.00 0.00 175.10 177.38 1i1e h PRO 621 N 7.31 0.18 -0.01 2.72 0.13 -1.92 -2.56 132.00 137.86 1i1e h PRO 621 Ca 0.04 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1i1e h PRO 621 Cb 0.99 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1i1e h PRO 621 CO 0.73 0.12 -0.08 2.48 -0.23 0.00 0.00 178.00 181.02 1i1e n TYR 622 N -4.48 0.00 -0.36 1.56 0.18 -1.26 -4.20 117.16 108.59 1i1e n TYR 622 Ca 0.29 0.00 0.04 0.00 1.88 0.00 0.00 57.90 60.11 1i1e n TYR 622 Cb 1.18 -0.08 0.19 0.00 -0.38 0.00 0.00 39.34 40.26 1i1e n TYR 622 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 1i1e h ILE 623 N 1.27 1.05 -0.19 -3.48 2.04 -1.86 -0.71 117.51 115.64 1i1e h ILE 623 Ca 0.00 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1i1e h ILE 623 Cb 0.39 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1i1e h ILE 623 CO 0.00 0.21 0.12 1.23 0.00 0.00 0.00 178.15 179.70 1i1e h GLY 624 N 1.13 0.28 1.72 5.37 0.00 -1.74 -2.26 103.07 107.58 1i1e h GLY 624 Ca 0.44 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 1i1e h GLY 624 CO -0.19 0.11 -0.30 1.41 0.00 0.00 0.00 176.54 177.58 1i1e h LEU 625 N 0.23 0.33 -0.51 3.11 3.38 -1.60 0.13 115.31 120.38 1i1e h LEU 625 Ca 0.07 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1i1e h LEU 625 Cb 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1i1e h LEU 625 CO -0.01 0.62 -0.13 0.00 0.09 0.00 0.00 178.44 179.01 1i1e h ALA 626 N 1.40 0.71 0.00 1.53 0.00 -0.77 -3.40 119.26 118.73 1i1e h ALA 626 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1i1e h ALA 626 Cb 0.67 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1i1e h ALA 626 CO 0.05 0.64 -0.56 1.28 0.00 0.00 0.00 179.25 180.65 1i1e n LEU 627 N -4.17 0.00 -4.07 0.00 4.77 -0.88 -4.53 117.00 108.12 1i1e n LEU 627 Ca 0.01 -0.09 -0.32 0.00 -0.03 0.00 0.00 56.01 55.58 1i1e n LEU 627 Cb 0.41 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1i1e n LEU 627 CO 0.45 0.00 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.31 1i1e n ASN 628 N -1.02 -3.38 -4.85 -1.43 5.15 0.45 -2.50 115.26 107.69 1i1e n ASN 628 Ca 0.00 -0.93 -0.32 0.00 -0.60 0.00 0.00 54.58 52.73 1i1e n ASN 628 Cb 0.00 -3.22 -0.06 0.00 -0.53 0.00 0.00 39.78 35.98 1i1e n ASN 628 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1i1e s VAL 629 N -3.39 4.65 0.00 3.44 0.11 -1.26 -4.18 120.40 119.78 1i1e s VAL 629 Ca 0.60 0.97 0.00 0.00 -2.93 0.00 0.00 61.98 60.62 1i1e s VAL 629 Cb -0.32 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 30.90 1i1e s VAL 629 CO 0.89 -0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 1i1e n GLY 630 N -0.63 0.90 3.57 6.54 0.00 -1.26 -3.88 105.19 110.43 1i1e n GLY 630 Ca 0.04 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1i1e n GLY 630 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i1e s ASN 631 N -4.00 5.62 0.00 1.61 3.84 -0.97 -4.53 114.94 116.51 1i1e s ASN 631 Ca 0.00 -1.33 0.00 0.00 0.21 0.00 0.00 52.86 51.74 1i1e s ASN 631 Cb 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1i1e s ASN 631 CO 0.00 -2.37 0.00 -0.62 -2.79 0.00 0.00 177.10 171.32 1i1e n GLU 632 N 8.65 -0.51 0.00 0.43 1.02 -1.26 -4.77 120.64 124.21 1i1e n GLU 632 Ca 0.41 -0.25 0.10 0.00 -0.02 0.00 0.00 57.16 57.40 1i1e n GLU 632 Cb 0.48 0.45 0.58 0.00 -0.02 0.00 0.00 31.44 32.92 1i1e n GLU 632 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i1e n THR 633 N -0.69 0.00 0.42 2.62 -2.24 -1.25 -2.75 114.28 110.39 1i1e n THR 633 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1i1e n THR 633 Cb 0.00 -0.52 0.10 0.00 -2.10 0.00 0.00 70.33 67.81 1i1e n THR 633 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i1e h ALA 634 N 3.32 0.52 -2.67 6.98 0.00 -1.85 -3.35 119.26 122.20 1i1e h ALA 634 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1i1e h ALA 634 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1i1e h ALA 634 CO 0.00 0.00 -0.26 0.15 0.00 0.00 0.00 179.25 179.14 1i1e s LYS 635 N -3.23 3.70 2.82 0.00 1.02 -1.11 -4.72 119.74 118.21 1i1e s LYS 635 Ca 0.04 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1i1e s LYS 635 Cb 0.12 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1i1e s LYS 635 CO 0.75 0.49 0.00 0.41 -0.92 0.00 0.00 175.35 176.08 1i1e n GLY 636 N 0.41 -0.12 3.53 -3.33 0.00 -1.26 -4.63 105.19 99.80 1i1e n GLY 636 Ca -0.04 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 1i1e n GLY 636 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i1e s ASN 637 N -4.00 5.51 0.07 1.61 3.84 -1.26 -5.00 114.94 115.70 1i1e s ASN 637 Ca 0.00 -0.08 -0.28 0.00 0.21 0.00 0.00 52.86 52.71 1i1e s ASN 637 Cb 0.00 -1.99 -0.17 0.00 -0.55 0.00 0.00 41.25 38.54 1i1e s ASN 637 CO 0.00 0.01 1.60 0.15 -2.79 0.00 0.00 177.10 176.07 1i1e h PHE 638 N 7.92 -0.47 -0.73 0.43 3.57 -1.82 -2.07 116.94 123.77 1i1e h PHE 638 Ca -0.37 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.27 1i1e h PHE 638 Cb 1.18 0.15 -0.14 0.00 2.79 0.00 0.00 35.95 39.94 1i1e h PHE 638 CO 0.67 -0.25 -0.12 1.49 -2.23 0.00 0.00 178.31 177.87 1i1e h GLU 639 N -0.56 0.03 0.22 1.11 4.81 -1.94 0.64 114.58 118.88 1i1e h GLU 639 Ca -0.05 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1i1e h GLU 639 Cb 0.42 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1i1e h GLU 639 CO 0.08 0.02 -0.10 -0.97 -0.73 0.00 0.00 179.01 177.31 1i1e h ASN 640 N 0.03 -0.24 -0.09 1.04 -1.24 -1.96 0.01 115.58 113.13 1i1e h ASN 640 Ca 0.37 -0.06 0.02 0.00 0.71 0.00 0.00 56.30 57.35 1i1e h ASN 640 Cb 0.60 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.71 1i1e h ASN 640 CO -0.72 -0.10 0.07 0.00 -1.29 0.00 0.00 177.43 175.40 1i1e h ALA 641 N 0.39 1.87 0.06 1.57 0.00 -0.35 -1.20 119.26 121.61 1i1e h ALA 641 Ca -0.03 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1i1e h ALA 641 Cb 0.29 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.11 1i1e h ALA 641 CO 0.05 -0.12 -1.13 0.35 0.00 0.00 0.00 179.25 178.40 1i1e h PHE 642 N 0.00 0.94 -0.06 0.00 3.57 0.76 -2.24 116.94 119.92 1i1e h PHE 642 Ca 0.04 -0.56 -0.03 0.00 3.53 0.00 0.00 57.97 60.96 1i1e h PHE 642 Cb 0.19 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1i1e h PHE 642 CO 0.00 1.40 -0.10 0.93 -2.23 0.00 0.00 178.31 178.31 1i1e h GLU 643 N 0.30 0.08 0.03 1.11 5.08 0.16 0.33 114.58 121.68 1i1e h GLU 643 Ca -0.15 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1i1e h GLU 643 Cb 1.80 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1i1e h GLU 643 CO 0.21 0.19 -0.01 0.82 -1.00 0.00 0.00 179.01 179.22 1i1e h ILE 644 N 0.08 0.00 0.00 3.13 2.04 -1.31 -3.41 117.51 118.04 1i1e h ILE 644 Ca 0.02 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1i1e h ILE 644 Cb 0.23 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1i1e h ILE 644 CO 0.01 0.00 -1.07 0.00 0.00 0.00 0.00 178.15 177.09 1i1e n ALA 645 N -2.36 3.66 -0.44 1.87 0.00 -0.85 -4.91 120.51 117.49 1i1e n ALA 645 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1i1e n ALA 645 Cb 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1i1e n ALA 645 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1e n GLY 646 N 1.40 0.59 0.34 0.00 0.00 0.12 -3.83 105.19 103.81 1i1e n GLY 646 Ca 0.02 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.33 1i1e n GLY 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1e h ALA 647 N -0.44 2.08 -0.72 4.61 0.00 -1.89 -2.64 119.26 120.26 1i1e h ALA 647 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1i1e h ALA 647 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1i1e h ALA 647 CO 0.00 -0.19 0.50 0.77 0.00 0.00 0.00 179.25 180.33 1i1e h SER 648 N 0.27 0.17 0.67 0.00 0.02 -1.95 -0.70 113.55 112.03 1i1e h SER 648 Ca 0.21 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1i1e h SER 648 Cb 0.48 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1i1e h SER 648 CO -0.04 0.08 0.00 2.30 -1.14 0.00 0.00 176.83 178.03 1i1e n ILE 649 N -4.40 0.86 0.50 3.27 -5.35 -1.00 -2.69 119.36 110.55 1i1e n ILE 649 Ca 0.14 0.21 0.12 0.00 -0.27 0.00 0.00 62.75 62.94 1i1e n ILE 649 Cb 0.67 -1.04 0.08 0.00 -1.74 0.00 0.00 39.64 37.61 1i1e n ILE 649 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1i1e n LEU 650 N -1.88 0.67 -4.74 7.28 4.77 -0.27 -2.29 117.00 120.55 1i1e n LEU 650 Ca 0.03 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 1i1e n LEU 650 Cb 0.22 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1i1e n LEU 650 CO 0.18 -0.03 0.82 -0.76 -1.33 0.00 0.00 177.39 176.27 1i1e s LEU 651 N -4.26 4.47 0.40 2.23 1.43 -1.10 -3.98 118.68 117.87 1i1e s LEU 651 Ca 0.04 2.12 0.22 0.00 -1.03 0.00 0.00 54.13 55.48 1i1e s LEU 651 Cb 0.13 -3.60 0.65 0.00 0.03 0.00 0.00 46.19 43.40 1i1e s LEU 651 CO 0.77 -0.28 1.71 -0.08 0.23 0.00 0.00 176.35 178.70 1i1e h GLU 652 N 5.25 0.00 -2.84 1.70 4.57 -1.90 -3.36 114.58 117.99 1i1e h GLU 652 Ca -0.44 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.60 1i1e h GLU 652 Cb 1.21 0.00 -0.25 0.00 -0.16 0.00 0.00 28.75 29.55 1i1e h GLU 652 CO 0.73 0.28 -0.30 0.12 -1.18 0.00 0.00 179.01 178.67 1i1e s PHE 653 N -3.43 -0.42 -0.51 0.92 5.36 -1.26 -4.83 117.98 113.80 1i1e s PHE 653 Ca 0.02 1.00 -0.17 0.00 -0.96 0.00 0.00 56.93 56.82 1i1e s PHE 653 Cb 0.09 0.15 0.09 0.00 -0.34 0.00 0.00 43.02 43.01 1i1e s PHE 653 CO 0.67 -0.21 0.51 0.42 -1.46 0.00 0.00 175.22 175.14 1i1e s ILE 654 N 0.36 5.11 0.50 3.12 -1.09 -1.26 -5.02 121.20 122.91 1i1e s ILE 654 Ca -0.01 -1.08 -0.22 0.00 -2.23 0.00 0.00 60.65 57.11 1i1e s ILE 654 Cb -0.03 -4.27 -0.08 0.00 -1.58 0.00 0.00 42.46 36.50 1i1e s ILE 654 CO -0.01 -0.77 1.09 -2.65 -1.23 0.00 0.00 174.94 171.36 1i1e n PRO 655 N 5.54 1.36 -3.05 2.79 -0.02 -1.26 -4.95 135.00 135.41 1i1e n PRO 655 Ca -0.11 0.50 -0.43 0.00 -2.02 0.00 0.00 63.50 61.43 1i1e n PRO 655 Cb 0.43 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1i1e n PRO 655 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1i1e s GLU 656 N -2.40 3.24 0.53 -0.52 2.02 -1.26 -5.03 118.70 115.27 1i1e s GLU 656 Ca 0.68 -0.53 -0.18 0.00 0.02 0.00 0.00 54.97 54.96 1i1e s GLU 656 Cb -0.48 -4.03 -0.07 0.00 0.10 0.00 0.00 34.13 29.65 1i1e s GLU 656 CO 0.53 -1.21 1.04 -0.51 0.02 0.00 0.00 175.26 175.13 1i1e s LEU 657 N 3.05 3.69 -0.39 1.80 1.43 -1.26 -4.70 118.68 122.30 1i1e s LEU 657 Ca 0.22 1.85 -0.13 0.00 -1.03 0.00 0.00 54.13 55.04 1i1e s LEU 657 Cb -0.16 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.54 1i1e s LEU 657 CO 0.17 -0.91 0.25 -0.22 0.23 0.00 0.00 176.35 175.87 1i1e s LEU 658 N -3.92 4.89 -0.45 1.79 2.96 -1.26 -5.00 118.68 117.69 1i1e s LEU 658 Ca 0.65 -0.95 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1i1e s LEU 658 Cb -0.15 -2.08 0.15 0.00 0.50 0.00 0.00 46.19 44.60 1i1e s LEU 658 CO 0.27 -0.41 0.29 -0.63 -1.32 0.00 0.00 176.35 174.55 1i1e s ILE 659 N 1.61 1.08 0.64 6.68 1.01 -1.26 -4.91 121.20 126.04 1i1e s ILE 659 Ca 0.03 -2.64 -0.18 0.00 0.00 0.00 0.00 60.65 57.87 1i1e s ILE 659 Cb -0.19 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1i1e s ILE 659 CO 0.08 -1.02 1.21 -2.65 0.00 0.00 0.00 174.94 172.56 1i1e n PRO 660 N 3.26 1.04 -2.76 2.79 -0.02 -1.26 -4.95 135.00 133.10 1i1e n PRO 660 Ca 0.16 0.41 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 1i1e n PRO 660 Cb 0.38 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 1i1e n PRO 660 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i1e s VAL 661 N -1.42 4.23 -0.19 -1.45 1.01 -1.26 -4.89 120.40 116.43 1i1e s VAL 661 Ca 0.81 0.30 -0.40 0.00 0.00 0.00 0.00 61.98 62.69 1i1e s VAL 661 Cb -0.39 -4.64 -0.17 0.00 0.00 0.00 0.00 36.38 31.18 1i1e s VAL 661 CO 0.42 -1.30 1.54 0.52 0.00 0.00 0.00 175.10 176.27 1i1e n VAL 662 N 6.26 0.14 -0.95 2.92 0.31 -1.26 -4.24 118.33 121.50 1i1e n VAL 662 Ca 0.02 -0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1i1e n VAL 662 Cb 0.48 -0.86 0.10 0.00 -0.91 0.00 0.00 33.84 32.65 1i1e n VAL 662 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i1e n GLY 663 N 3.41 -2.08 3.84 2.92 0.00 0.15 -4.94 105.19 108.49 1i1e n GLY 663 Ca 0.24 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1i1e n GLY 663 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1e s ALA 664 N -2.22 2.88 -0.34 4.61 0.00 -1.26 -4.80 121.76 120.62 1i1e s ALA 664 Ca 0.58 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 1i1e s ALA 664 Cb -0.25 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1i1e s ALA 664 CO 0.66 -0.85 0.18 -0.06 0.00 0.00 0.00 175.76 175.69 1i1e s PHE 665 N -2.94 3.21 -0.46 0.00 0.40 -1.26 -2.15 117.98 114.78 1i1e s PHE 665 Ca 0.58 -0.71 -0.22 0.00 -0.60 0.00 0.00 56.93 55.97 1i1e s PHE 665 Cb -0.13 -2.40 0.03 0.00 0.51 0.00 0.00 43.02 41.03 1i1e s PHE 665 CO 0.49 -0.53 0.76 -0.51 0.70 0.00 0.00 175.22 176.12 1i1e s LEU 666 N 1.60 4.35 -0.00 -0.37 1.43 -0.74 -4.98 118.68 119.96 1i1e s LEU 666 Ca 0.04 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 1i1e s LEU 666 Cb -0.18 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 1i1e s LEU 666 CO 0.07 -0.92 0.59 -0.76 0.23 0.00 0.00 176.35 175.55 1i1e s LEU 667 N 3.21 4.42 -0.22 1.79 1.43 -1.26 -1.87 118.68 126.18 1i1e s LEU 667 Ca 0.27 1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 54.44 1i1e s LEU 667 Cb -0.13 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 1i1e s LEU 667 CO 0.21 0.11 0.10 -0.70 0.23 0.00 0.00 176.35 176.30 1i1e s GLU 668 N -0.23 3.90 0.09 1.70 2.12 -1.10 -4.96 118.70 120.22 1i1e s GLU 668 Ca 0.31 -0.36 -0.00 0.00 0.36 0.00 0.00 54.97 55.27 1i1e s GLU 668 Cb -0.18 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 1i1e s GLU 668 CO 0.17 0.05 0.25 0.45 -0.54 0.00 0.00 175.26 175.65 1i1e s SER 669 N 1.00 6.38 -0.33 -1.70 0.15 -1.26 -4.87 113.70 113.07 1i1e s SER 669 Ca 0.05 0.31 0.03 0.00 0.70 0.00 0.00 55.95 57.03 1i1e s SER 669 Cb -0.14 -1.97 0.10 0.00 -1.71 0.00 0.00 66.02 62.30 1i1e s SER 669 CO 0.03 0.12 0.06 -0.31 1.20 0.00 0.00 173.24 174.34 1i1e s TYR 670 N -1.58 3.12 0.21 3.44 1.51 -1.26 -5.06 117.35 117.73 1i1e s TYR 670 Ca 0.36 -2.59 -0.32 0.00 -1.01 0.00 0.00 57.07 53.51 1i1e s TYR 670 Cb -0.12 -2.51 -0.13 0.00 -0.11 0.00 0.00 41.96 39.08 1i1e s TYR 670 CO 0.28 -0.92 1.58 0.44 -1.11 0.00 0.00 175.55 175.81 1i1e n ILE 671 N 4.44 0.37 -0.76 2.71 -5.35 -1.26 -2.03 119.36 117.48 1i1e n ILE 671 Ca 0.01 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1i1e n ILE 671 Cb 0.42 -1.70 0.00 0.00 -1.74 0.00 0.00 39.64 36.62 1i1e n ILE 671 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1i1e n ASP 672 N 3.07 0.00 -4.51 7.28 10.43 -1.26 -4.98 116.55 126.59 1i1e n ASP 672 Ca 0.14 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.09 1i1e n ASP 672 Cb 0.32 -0.91 -0.10 0.00 1.84 0.00 0.00 41.12 42.27 1i1e n ASP 672 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1i1e s ASN 673 N -2.67 6.11 0.15 -2.24 3.84 -0.86 -4.92 114.94 114.35 1i1e s ASN 673 Ca 0.00 -0.53 0.04 0.00 0.21 0.00 0.00 52.86 52.58 1i1e s ASN 673 Cb 0.00 -2.16 -0.07 0.00 -0.55 0.00 0.00 41.25 38.46 1i1e s ASN 673 CO 0.00 -0.35 1.34 0.50 -2.79 0.00 0.00 177.10 175.80 1i1e h LYS 674 N 8.54 0.11 0.00 0.43 1.63 -1.86 -3.15 116.57 122.28 1i1e h LYS 674 Ca -0.29 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1i1e h LYS 674 Cb 1.14 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1i1e h LYS 674 CO 0.69 0.96 -0.00 -0.91 -3.45 0.00 0.00 179.45 176.74 1i1e h ASN 675 N 0.05 -0.01 0.42 4.20 2.35 -1.92 -3.23 115.58 117.45 1i1e h ASN 675 Ca -0.04 -0.67 -0.02 0.00 -0.55 0.00 0.00 56.30 55.02 1i1e h ASN 675 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.98 1i1e h ASN 675 CO 0.14 0.82 -0.22 0.11 -1.65 0.00 0.00 177.43 176.63 1i1e h LYS 676 N -0.99 -0.58 -0.77 0.81 1.57 -1.94 -0.27 116.57 114.41 1i1e h LYS 676 Ca -0.00 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 58.98 1i1e h LYS 676 Cb 0.67 0.13 -0.11 0.00 0.08 0.00 0.00 32.23 33.01 1i1e h LYS 676 CO 0.00 -0.38 0.26 0.82 -0.57 0.00 0.00 179.45 179.58 1i1e h ILE 677 N -0.60 0.57 0.51 1.86 2.04 -1.74 -1.29 117.51 118.86 1i1e h ILE 677 Ca -0.05 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1i1e h ILE 677 Cb 0.47 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1i1e h ILE 677 CO 0.08 0.07 -0.25 0.40 0.00 0.00 0.00 178.15 178.45 1i1e h ILE 678 N 0.37 0.00 -0.76 -0.67 2.04 -1.54 -3.14 117.51 113.80 1i1e h ILE 678 Ca 0.44 -0.26 0.29 0.00 1.00 0.00 0.00 64.86 66.33 1i1e h ILE 678 Cb 0.72 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.67 1i1e h ILE 678 CO -0.47 0.00 0.31 0.29 0.00 0.00 0.00 178.15 178.28 1i1e n LYS 679 N -4.56 -0.05 0.40 2.37 5.02 -0.12 0.24 118.16 121.46 1i1e n LYS 679 Ca -0.09 1.08 -0.17 0.00 -2.02 0.00 0.00 58.31 57.11 1i1e n LYS 679 Cb 0.27 -1.87 -0.09 0.00 -0.02 0.00 0.00 35.03 33.32 1i1e n LYS 679 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1i1e h THR 680 N 0.00 0.00 -0.63 -0.18 2.02 -1.21 -0.96 112.91 111.95 1i1e h THR 680 Ca 0.60 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.88 1i1e h THR 680 Cb 1.52 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.81 1i1e h THR 680 CO -0.62 0.00 -0.37 0.40 0.37 0.00 0.00 175.52 175.30 1i1e h ILE 681 N -1.09 0.13 -0.99 3.11 2.04 -0.17 0.24 117.51 120.78 1i1e h ILE 681 Ca -0.10 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.90 1i1e h ILE 681 Cb 0.86 0.13 -0.09 0.00 -0.74 0.00 0.00 36.82 36.98 1i1e h ILE 681 CO 0.13 0.00 0.61 0.44 0.00 0.00 0.00 178.15 179.33 1i1e h ASP 682 N -0.16 0.87 -0.45 1.72 3.32 -1.30 -0.79 116.42 119.61 1i1e h ASP 682 Ca 0.23 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 1i1e h ASP 682 Cb 0.56 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1i1e h ASP 682 CO -0.71 0.42 -0.27 0.78 -1.72 0.00 0.00 179.24 177.73 1i1e h ASN 683 N 0.91 1.03 0.29 6.45 -0.26 0.76 -1.63 115.58 123.13 1i1e h ASN 683 Ca 0.52 -0.42 -0.03 0.00 -0.56 0.00 0.00 56.30 55.81 1i1e h ASN 683 Cb 0.60 -0.29 -0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1i1e h ASN 683 CO -0.30 1.22 -0.12 0.00 -1.06 0.00 0.00 177.43 177.17 1i1e h ALA 684 N 0.84 1.39 0.08 -0.83 0.00 0.51 0.53 119.26 121.78 1i1e h ALA 684 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i1e h ALA 684 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1i1e h ALA 684 CO 0.08 0.15 -0.04 -0.07 0.00 0.00 0.00 179.25 179.38 1i1e h LEU 685 N 0.00 -0.09 -0.87 0.00 3.38 -0.64 -1.71 115.31 115.39 1i1e h LEU 685 Ca -0.00 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 1i1e h LEU 685 Cb 0.30 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1i1e h LEU 685 CO 0.02 0.53 0.21 0.71 0.09 0.00 0.00 178.44 180.00 1i1e h THR 686 N -0.77 1.25 -0.11 0.22 1.35 -0.87 -1.33 112.91 112.65 1i1e h THR 686 Ca -0.01 -0.86 -0.03 0.00 -0.55 0.00 0.00 66.41 64.95 1i1e h THR 686 Cb 0.60 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 1i1e h THR 686 CO 0.02 0.34 -0.09 0.50 -0.25 0.00 0.00 175.52 176.04 1i1e h LYS 687 N 1.01 0.17 -0.67 4.72 1.63 0.02 -1.26 116.57 122.18 1i1e h LYS 687 Ca 0.22 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.01 1i1e h LYS 687 Cb 0.29 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.85 1i1e h LYS 687 CO -0.01 0.27 0.43 -0.09 -3.45 0.00 0.00 179.45 176.60 1i1e h ARG 688 N 0.16 0.84 -0.66 1.90 1.12 -0.27 -1.89 114.38 115.59 1i1e h ARG 688 Ca 0.04 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.82 1i1e h ARG 688 Cb 0.26 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.01 1i1e h ARG 688 CO 0.01 0.56 0.27 -0.91 -3.11 0.00 0.00 179.97 176.79 1i1e h ASN 689 N 0.86 0.90 -0.13 -3.80 2.35 -1.01 -1.24 115.58 113.52 1i1e h ASN 689 Ca 0.26 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1i1e h ASN 689 Cb -0.04 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1i1e h ASN 689 CO -0.08 0.82 0.11 -0.08 -1.65 0.00 0.00 177.43 176.54 1i1e h GLU 690 N 0.92 0.00 -0.19 0.81 4.81 -0.82 -1.23 114.58 118.88 1i1e h GLU 690 Ca 0.22 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.29 1i1e h GLU 690 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1i1e h GLU 690 CO -0.02 0.00 -0.49 0.87 -0.73 0.00 0.00 179.01 178.64 1i1e h LYS 691 N 0.00 0.68 0.61 1.92 1.79 -0.48 -1.57 116.57 119.51 1i1e h LYS 691 Ca 0.06 -0.47 -0.03 0.00 -2.18 0.00 0.00 60.65 58.03 1i1e h LYS 691 Cb 0.27 0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1i1e h LYS 691 CO -0.00 1.09 -0.29 -1.49 -1.08 0.00 0.00 179.45 177.68 1i1e h TRP 692 N 0.37 -0.75 -0.40 -1.35 4.06 -0.82 -1.26 115.95 115.79 1i1e h TRP 692 Ca -0.01 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.01 1i1e h TRP 692 Cb 1.11 0.25 -0.08 0.00 -1.00 0.00 0.00 29.16 29.43 1i1e h TRP 692 CO 0.09 -0.42 -0.17 1.03 -3.56 0.00 0.00 178.44 175.42 1i1e h SER 693 N -1.02 -0.58 -0.35 -3.49 0.87 -1.37 0.69 113.55 108.31 1i1e h SER 693 Ca -0.08 0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1i1e h SER 693 Cb 0.68 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1i1e h SER 693 CO 0.14 -0.20 0.24 0.44 -0.53 0.00 0.00 176.83 176.91 1i1e h ASP 694 N -0.09 0.23 0.02 6.23 5.19 -1.26 0.13 116.42 126.86 1i1e h ASP 694 Ca 0.20 -0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.41 1i1e h ASP 694 Cb 0.39 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1i1e h ASP 694 CO -0.46 0.15 -0.72 -0.03 -3.12 0.00 0.00 179.24 175.06 1i1e h MET 695 N 0.26 0.63 -0.28 3.56 4.05 0.30 -1.77 114.93 121.67 1i1e h MET 695 Ca 0.15 -0.49 -0.04 0.00 -0.28 0.00 0.00 59.70 59.04 1i1e h MET 695 Cb 0.27 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1i1e h MET 695 CO -0.03 1.11 0.02 1.88 0.23 0.00 0.00 176.91 180.12 1i1e h TYR 696 N 0.44 0.52 -0.63 1.39 0.99 0.40 -1.74 116.97 118.33 1i1e h TYR 696 Ca -0.03 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.61 1i1e h TYR 696 Cb 1.32 -0.14 -0.03 0.00 1.00 0.00 0.00 36.73 38.88 1i1e h TYR 696 CO 0.07 0.61 0.36 0.78 -0.00 0.00 0.00 178.16 179.97 1i1e h GLY 697 N 0.28 0.92 1.02 3.88 0.00 -1.02 0.19 103.07 108.34 1i1e h GLY 697 Ca 0.08 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1i1e h GLY 697 CO 0.01 0.37 0.58 -2.00 0.00 0.00 0.00 176.54 175.50 1i1e h LEU 698 N 0.87 1.12 0.05 3.11 5.85 -0.92 -1.11 115.31 124.27 1i1e h LEU 698 Ca 0.23 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1i1e h LEU 698 Cb -0.00 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.75 1i1e h LEU 698 CO -0.04 0.85 -0.02 0.40 -0.34 0.00 0.00 178.44 179.28 1i1e h ILE 699 N 1.29 1.26 -0.55 4.05 1.08 -0.25 -2.83 117.51 121.56 1i1e h ILE 699 Ca 0.34 -1.05 0.10 0.00 -0.39 0.00 0.00 64.86 63.86 1i1e h ILE 699 Cb -0.08 1.95 -0.08 0.00 -3.07 0.00 0.00 36.82 35.54 1i1e h ILE 699 CO -0.07 0.26 0.07 0.58 -0.69 0.00 0.00 178.15 178.30 1i1e h VAL 700 N -0.53 0.63 -0.94 1.67 2.07 -0.50 0.13 116.25 118.79 1i1e h VAL 700 Ca -0.01 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1i1e h VAL 700 Cb 0.48 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1i1e h VAL 700 CO 0.01 0.03 0.59 0.00 0.02 0.00 0.00 177.57 178.23 1i1e h ALA 701 N 1.46 1.32 -0.18 1.67 0.00 -1.21 -0.37 119.26 121.95 1i1e h ALA 701 Ca 0.28 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1i1e h ALA 701 Cb 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1i1e h ALA 701 CO -0.41 0.33 -0.68 1.96 0.00 0.00 0.00 179.25 180.45 1i1e h GLN 702 N 1.05 0.72 -0.12 0.00 4.20 -0.90 -2.40 115.11 117.67 1i1e h GLN 702 Ca 0.42 -0.54 0.01 0.00 0.06 0.00 0.00 58.65 58.60 1i1e h GLN 702 Cb 0.23 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1i1e h GLN 702 CO -0.19 1.15 0.05 2.35 -0.67 0.00 0.00 178.83 181.53 1i1e h TRP 703 N 0.52 0.10 -0.69 2.96 7.01 -0.16 0.84 115.95 126.53 1i1e h TRP 703 Ca -0.02 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 1i1e h TRP 703 Cb 1.29 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 28.28 1i1e h TRP 703 CO 0.07 0.06 0.36 -0.07 -2.79 0.00 0.00 178.44 176.07 1i1e h LEU 704 N 0.12 0.87 -1.26 0.65 3.38 -1.08 0.33 115.31 118.32 1i1e h LEU 704 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1i1e h LEU 704 Cb 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1i1e h LEU 704 CO -0.03 0.72 -0.25 -1.54 0.09 0.00 0.00 178.44 177.42 1i1e n SER 705 N -4.35 2.16 0.00 -0.43 3.41 -0.91 -3.62 113.62 109.88 1i1e n SER 705 Ca 0.07 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 1i1e n SER 705 Cb 0.12 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1i1e n SER 705 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i1e n THR 706 N 0.39 0.00 -0.03 6.66 -2.24 0.27 -0.80 114.28 118.52 1i1e n THR 706 Ca 0.09 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1i1e n THR 706 Cb 0.44 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 67.96 1i1e n THR 706 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1i1e n VAL 707 N -1.58 1.08 -0.01 2.28 0.31 -0.60 -4.35 118.33 115.46 1i1e n VAL 707 Ca 0.00 0.25 0.23 0.00 -0.01 0.00 0.00 64.34 64.81 1i1e n VAL 707 Cb 0.35 -1.93 0.72 0.00 -0.91 0.00 0.00 33.84 32.08 1i1e n VAL 707 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1i1e h ASN 708 N -0.52 0.00 -0.32 4.52 -1.24 -0.57 0.25 115.58 117.70 1i1e h ASN 708 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 1i1e h ASN 708 Cb 0.52 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 1i1e h ASN 708 CO 0.00 0.00 -0.15 0.71 -1.29 0.00 0.00 177.43 176.70 1i1e h THR 709 N 0.00 1.29 -0.71 -3.57 1.35 -1.77 -1.47 112.91 108.03 1i1e h THR 709 Ca 0.28 -1.25 0.01 0.00 -0.55 0.00 0.00 66.41 64.90 1i1e h THR 709 Cb 1.28 1.41 -0.04 0.00 -1.73 0.00 0.00 68.15 69.08 1i1e h THR 709 CO -0.00 0.40 0.47 1.56 -0.25 0.00 0.00 175.52 177.70 1i1e h GLN 710 N 0.44 0.93 0.00 4.72 4.20 -0.73 -0.74 115.11 123.93 1i1e h GLN 710 Ca 0.07 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1i1e h GLN 710 Cb 0.67 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1i1e h GLN 710 CO 0.05 0.61 -0.17 0.74 -0.67 0.00 0.00 178.83 179.39 1i1e h PHE 711 N 0.95 0.00 0.01 2.96 0.05 -1.28 -1.83 116.94 117.80 1i1e h PHE 711 Ca 0.26 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 62.05 1i1e h PHE 711 Cb -0.09 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.86 1i1e h PHE 711 CO -0.03 0.17 -0.00 -0.92 -0.18 0.00 0.00 178.31 177.35 1i1e h TYR 712 N 0.00 -0.01 -0.51 -0.55 3.20 -0.08 -1.29 116.97 117.73 1i1e h TYR 712 Ca -0.00 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.99 1i1e h TYR 712 Cb 0.45 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1i1e h TYR 712 CO 0.00 0.36 0.35 1.15 -1.64 0.00 0.00 178.16 178.38 1i1e h THR 713 N -0.38 0.82 0.01 1.81 2.02 -0.64 -0.45 112.91 116.09 1i1e h THR 713 Ca -0.00 -0.05 -0.24 0.00 0.77 0.00 0.00 66.41 66.88 1i1e h THR 713 Cb 0.38 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1i1e h THR 713 CO 0.00 0.03 -1.00 0.40 0.37 0.00 0.00 175.52 175.32 1i1e h ILE 714 N 0.16 1.35 -0.73 3.11 2.04 -1.11 -1.13 117.51 121.21 1i1e h ILE 714 Ca 0.24 -2.39 -0.04 0.00 1.00 0.00 0.00 64.86 63.67 1i1e h ILE 714 Cb 0.73 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 1i1e h ILE 714 CO -0.03 0.72 0.29 0.11 0.00 0.00 0.00 178.15 179.23 1i1e h LYS 715 N 0.29 1.09 -0.49 2.37 1.57 0.07 -1.53 116.57 119.94 1i1e h LYS 715 Ca -0.10 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.36 1i1e h LYS 715 Cb 1.64 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 1i1e h LYS 715 CO 0.18 0.90 -0.14 0.93 -0.57 0.00 0.00 179.45 180.75 1i1e h GLU 716 N 1.05 0.94 -0.93 3.15 4.39 -1.22 -2.49 114.58 119.46 1i1e h GLU 716 Ca 0.24 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1i1e h GLU 716 Cb 0.22 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.76 1i1e h GLU 716 CO -0.02 1.02 0.61 0.78 -1.16 0.00 0.00 179.01 180.23 1i1e h GLY 717 N 0.94 1.36 1.26 -3.84 0.00 -0.72 -0.48 103.07 101.59 1i1e h GLY 717 Ca 0.13 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1i1e h GLY 717 CO 0.05 0.40 -0.41 -0.33 0.00 0.00 0.00 176.54 176.25 1i1e h MET 718 N 1.18 0.81 -0.47 4.80 2.86 -1.10 0.19 114.93 123.19 1i1e h MET 718 Ca 0.37 -0.43 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1i1e h MET 718 Cb -0.00 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1i1e h MET 718 CO -0.12 1.06 0.21 -0.92 1.06 0.00 0.00 176.91 178.20 1i1e h TYR 719 N 0.66 0.65 -0.04 -0.22 3.20 -0.96 0.72 116.97 120.98 1i1e h TYR 719 Ca 0.05 -0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.69 1i1e h TYR 719 Cb 0.97 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 39.05 1i1e h TYR 719 CO 0.05 0.50 -0.80 0.87 -1.64 0.00 0.00 178.16 177.14 1i1e h LYS 720 N 0.66 0.61 0.16 1.82 1.57 -0.83 -2.63 116.57 117.94 1i1e h LYS 720 Ca 0.16 -0.61 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1i1e h LYS 720 Cb 0.10 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1i1e h LYS 720 CO -0.02 1.22 -0.08 0.00 -0.57 0.00 0.00 179.45 180.00 1i1e h ALA 721 N 0.41 -0.21 -0.66 3.86 0.00 -0.47 0.04 119.26 122.24 1i1e h ALA 721 Ca -0.09 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1i1e h ALA 721 Cb 1.46 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1i1e h ALA 721 CO 0.16 -0.55 0.43 -0.07 0.00 0.00 0.00 179.25 179.22 1i1e h LEU 722 N -0.35 0.62 -0.51 0.00 3.38 -0.98 -1.54 115.31 115.94 1i1e h LEU 722 Ca -0.02 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1i1e h LEU 722 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1i1e h LEU 722 CO 0.04 0.42 -0.08 -1.13 0.09 0.00 0.00 178.44 177.77 1i1e h ASN 723 N 0.71 0.95 -0.43 -0.43 -0.73 -1.04 -2.06 115.58 112.56 1i1e h ASN 723 Ca 0.27 -0.34 -0.07 0.00 1.87 0.00 0.00 56.30 58.03 1i1e h ASN 723 Cb 0.18 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 1i1e h ASN 723 CO -0.08 1.07 0.01 1.88 -0.37 0.00 0.00 177.43 179.94 1i1e h TYR 724 N 0.81 0.87 -0.46 0.67 0.99 -0.20 -1.37 116.97 118.29 1i1e h TYR 724 Ca 0.13 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 1i1e h TYR 724 Cb 0.63 -0.24 -0.02 0.00 1.00 0.00 0.00 36.73 38.10 1i1e h TYR 724 CO 0.05 0.80 0.18 1.96 -0.00 0.00 0.00 178.16 181.14 1i1e h GLN 725 N 0.77 0.69 -0.52 4.88 1.08 -1.08 -0.06 115.11 120.87 1i1e h GLN 725 Ca 0.15 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1i1e h GLN 725 Cb 0.45 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1i1e h GLN 725 CO 0.02 0.63 0.18 0.00 -0.95 0.00 0.00 178.83 178.71 1i1e h ALA 726 N 1.02 0.67 -0.53 3.87 0.00 -1.06 -1.94 119.26 121.30 1i1e h ALA 726 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1i1e h ALA 726 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1i1e h ALA 726 CO -0.01 0.31 0.07 1.96 0.00 0.00 0.00 179.25 181.58 1i1e h GLN 727 N 0.70 0.84 -0.42 0.00 4.20 -1.02 0.29 115.11 119.70 1i1e h GLN 727 Ca 0.17 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1i1e h GLN 727 Cb 0.24 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1i1e h GLN 727 CO -0.01 0.79 0.06 0.00 -0.67 0.00 0.00 178.83 179.00 1i1e h ALA 728 N 1.28 0.56 -0.26 3.87 0.00 -0.78 0.30 119.26 124.24 1i1e h ALA 728 Ca 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1i1e h ALA 728 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1i1e h ALA 728 CO 0.01 0.29 -0.09 1.25 0.00 0.00 0.00 179.25 180.71 1i1e h LEU 729 N 0.56 0.40 -0.22 0.00 5.85 -1.10 -0.36 115.31 120.44 1i1e h LEU 729 Ca 0.13 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1i1e h LEU 729 Cb 0.40 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1i1e h LEU 729 CO 0.01 0.54 0.06 -0.08 -0.34 0.00 0.00 178.44 178.63 1i1e h GLU 730 N 0.40 0.35 0.35 1.25 4.57 -0.21 -1.47 114.58 119.81 1i1e h GLU 730 Ca 0.08 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1i1e h GLU 730 Cb 0.41 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1i1e h GLU 730 CO 0.02 0.44 -0.19 1.49 -1.18 0.00 0.00 179.01 179.60 1i1e h GLU 731 N 0.18 -0.48 -0.31 1.92 4.57 0.27 -1.20 114.58 119.53 1i1e h GLU 731 Ca 0.07 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 1i1e h GLU 731 Cb 0.25 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 28.88 1i1e h GLU 731 CO -0.00 -0.32 -0.12 0.82 -1.18 0.00 0.00 179.01 178.21 1i1e h ILE 732 N -0.50 0.59 -0.38 2.32 2.04 -1.03 0.08 117.51 120.64 1i1e h ILE 732 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1i1e h ILE 732 Cb 0.40 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1i1e h ILE 732 CO 0.06 0.00 0.10 0.40 0.00 0.00 0.00 178.15 178.71 1i1e h ILE 733 N -0.07 0.84 -0.59 -0.67 2.04 -1.13 0.49 117.51 118.43 1i1e h ILE 733 Ca 0.16 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1i1e h ILE 733 Cb 0.30 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1i1e h ILE 733 CO -0.35 0.04 0.34 0.11 0.00 0.00 0.00 178.15 178.29 1i1e h LYS 734 N 0.24 0.65 0.01 2.37 1.57 -0.50 -1.47 116.57 119.43 1i1e h LYS 734 Ca 0.18 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1i1e h LYS 734 Cb 0.19 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1i1e h LYS 734 CO -0.21 0.43 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.17 1i1e h TYR 735 N 0.67 -0.02 -0.56 -1.35 3.20 -0.17 -1.69 116.97 117.05 1i1e h TYR 735 Ca 0.25 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1i1e h TYR 735 Cb 0.08 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1i1e h TYR 735 CO -0.07 0.09 0.36 0.00 -1.64 0.00 0.00 178.16 176.90 1i1e h ARG 736 N -0.12 0.72 -0.80 1.82 2.47 -0.73 -2.51 114.38 115.22 1i1e h ARG 736 Ca -0.00 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1i1e h ARG 736 Cb 0.12 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.24 1i1e h ARG 736 CO 0.00 0.47 0.46 -0.92 0.56 0.00 0.00 179.97 180.55 1i1e h TYR 737 N 0.74 1.08 0.00 3.04 3.20 -1.20 -2.45 116.97 121.38 1i1e h TYR 737 Ca 0.21 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1i1e h TYR 737 Cb -0.06 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.86 1i1e h TYR 737 CO -0.04 0.74 0.00 0.09 -1.64 0.00 0.00 178.16 177.31 1i1e n ASN 738 N -4.44 0.00 0.09 -2.11 3.02 -0.64 -2.60 115.26 108.57 1i1e n ASN 738 Ca 0.08 -0.58 -0.05 0.00 -0.03 0.00 0.00 54.58 54.01 1i1e n ASN 738 Cb 0.08 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 1i1e n ASN 738 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1i1e h ILE 739 N 0.00 1.58 -4.24 2.41 1.08 -1.01 -3.45 117.51 113.87 1i1e h ILE 739 Ca 0.00 -2.95 -0.50 0.00 -0.39 0.00 0.00 64.86 61.01 1i1e h ILE 739 Cb 0.11 2.61 0.14 0.00 -3.07 0.00 0.00 36.82 36.60 1i1e h ILE 739 CO 0.00 0.83 0.30 -0.31 -0.69 0.00 0.00 178.15 178.28 1i1e s TYR 740 N -2.99 2.50 0.61 1.37 4.12 -1.07 -5.04 117.35 116.83 1i1e s TYR 740 Ca 0.01 1.46 -0.08 0.00 0.02 0.00 0.00 57.07 58.47 1i1e s TYR 740 Cb 0.11 -3.08 -0.00 0.00 -1.52 0.00 0.00 41.96 37.46 1i1e s TYR 740 CO 0.80 -1.99 0.95 -1.54 0.02 0.00 0.00 175.55 173.79 1i1e s SER 741 N -3.41 5.76 0.38 2.29 1.04 -1.26 -4.87 113.70 113.64 1i1e s SER 741 Ca 0.62 0.96 0.05 0.00 0.48 0.00 0.00 55.95 58.06 1i1e s SER 741 Cb -0.17 -1.97 0.75 0.00 0.10 0.00 0.00 66.02 64.72 1i1e s SER 741 CO 0.56 -1.03 2.02 -0.33 0.98 0.00 0.00 173.24 175.45 1i1e h GLU 742 N -0.26 0.66 -0.55 4.02 4.39 -1.97 0.41 114.58 121.28 1i1e h GLU 742 Ca -0.45 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1i1e h GLU 742 Cb 1.24 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 1i1e h GLU 742 CO 0.62 0.45 0.35 -0.22 -1.16 0.00 0.00 179.01 179.05 1i1e h LYS 743 N 0.67 0.74 -0.13 2.33 3.11 -2.01 -1.82 116.57 119.46 1i1e h LYS 743 Ca 0.18 -0.06 -0.21 0.00 -2.81 0.00 0.00 60.65 57.75 1i1e h LYS 743 Cb -0.04 -0.16 0.01 0.00 -1.00 0.00 0.00 32.23 31.04 1i1e h LYS 743 CO -0.04 0.51 -0.75 0.93 -2.81 0.00 0.00 179.45 177.30 1i1e h GLU 744 N 0.74 0.75 -0.71 1.90 5.08 -1.76 -3.19 114.58 117.40 1i1e h GLU 744 Ca 0.20 -0.62 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1i1e h GLU 744 Cb -0.05 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1i1e h GLU 744 CO -0.04 1.23 0.47 0.87 -1.00 0.00 0.00 179.01 180.54 1i1e h LYS 745 N 0.46 0.70 -0.40 2.33 1.57 -0.75 -0.75 116.57 119.74 1i1e h LYS 745 Ca -0.06 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1i1e h LYS 745 Cb 1.39 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1i1e h LYS 745 CO 0.15 0.46 0.11 0.77 -0.57 0.00 0.00 179.45 180.38 1i1e h SER 746 N 0.72 0.53 0.08 0.86 0.02 -1.32 -2.16 113.55 112.28 1i1e h SER 746 Ca 0.31 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1i1e h SER 746 Cb 0.28 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1i1e h SER 746 CO -0.10 0.52 -0.14 0.59 -1.14 0.00 0.00 176.83 176.56 1i1e n ASN 747 N -4.34 1.52 -4.72 3.07 3.02 -0.40 -4.84 115.26 108.57 1i1e n ASN 747 Ca 0.02 -1.32 -0.39 0.00 -0.03 0.00 0.00 54.58 52.86 1i1e n ASN 747 Cb 0.18 0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 1i1e n ASN 747 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i1e s ILE 748 N -2.23 5.07 -0.60 2.41 1.01 -0.55 -5.02 121.20 121.29 1i1e s ILE 748 Ca 0.30 1.29 -0.16 0.00 0.00 0.00 0.00 60.65 62.08 1i1e s ILE 748 Cb 0.20 -3.97 0.15 0.00 0.01 0.00 0.00 42.46 38.85 1i1e s ILE 748 CO 0.42 0.29 0.57 0.21 0.00 0.00 0.00 174.94 176.43 1i1e s ASN 749 N 0.65 6.30 0.00 3.58 2.47 -1.26 -4.95 114.94 121.73 1i1e s ASN 749 Ca 0.34 -1.94 0.02 0.00 0.42 0.00 0.00 52.86 51.69 1i1e s ASN 749 Cb -0.17 -2.22 -0.01 0.00 -1.45 0.00 0.00 41.25 37.41 1i1e s ASN 749 CO 0.16 -0.82 -0.05 -0.63 -3.72 0.00 0.00 177.10 172.04 1i1e s ILE 750 N 1.40 0.39 -0.44 -5.21 -1.09 -1.26 -4.77 121.20 110.22 1i1e s ILE 750 Ca 0.07 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.21 1i1e s ILE 750 Cb -0.26 -0.35 0.12 0.00 -1.58 0.00 0.00 42.46 40.40 1i1e s ILE 750 CO 0.01 0.04 0.20 -0.62 -1.23 0.00 0.00 174.94 173.35 1i1e s ASP 751 N -0.29 4.08 0.62 3.58 -1.08 -1.26 -4.98 116.67 117.34 1i1e s ASP 751 Ca 0.00 -2.60 0.32 0.00 -0.52 0.00 0.00 52.55 49.76 1i1e s ASP 751 Cb -0.03 -1.31 1.81 0.00 -1.46 0.00 0.00 42.92 41.93 1i1e s ASP 751 CO -0.00 -0.29 2.12 -0.26 0.52 0.00 0.00 175.17 177.26 1i1e h PHE 752 N 6.91 0.00 0.00 -5.34 -1.00 -1.99 0.57 116.94 116.09 1i1e h PHE 752 Ca -0.05 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.64 1i1e h PHE 752 Cb 0.94 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.48 1i1e h PHE 752 CO 0.48 0.00 -0.42 -0.91 -1.61 0.00 0.00 178.31 175.84 1i1e h ASN 753 N 0.00 0.00 0.64 2.17 2.35 -1.99 -2.47 115.58 116.29 1i1e h ASN 753 Ca 0.05 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.53 1i1e h ASN 753 Cb 0.44 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1i1e h ASN 753 CO -0.00 0.40 -1.28 -0.78 -1.65 0.00 0.00 177.43 174.13 1i1e h ASP 754 N 0.00 0.36 -0.22 5.81 1.82 -1.34 -1.77 116.42 121.08 1i1e h ASP 754 Ca -0.01 -0.40 -0.03 0.00 -0.39 0.00 0.00 57.03 56.20 1i1e h ASP 754 Cb 1.31 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 1i1e h ASP 754 CO 0.05 1.32 0.03 0.40 -1.61 0.00 0.00 179.24 179.44 1i1e h ILE 755 N 0.06 1.23 -0.39 2.25 2.04 -1.36 -1.46 117.51 119.88 1i1e h ILE 755 Ca -0.14 -0.75 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 1i1e h ILE 755 Cb 1.96 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 1i1e h ILE 755 CO 0.18 0.24 -0.12 0.78 0.00 0.00 0.00 178.15 179.23 1i1e h ASN 756 N 0.16 0.68 -0.54 1.72 2.35 -1.51 -0.90 115.58 117.54 1i1e h ASN 756 Ca 0.07 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 1i1e h ASN 756 Cb 0.32 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1i1e h ASN 756 CO 0.00 0.82 0.13 -1.28 -1.65 0.00 0.00 177.43 175.46 1i1e h SER 757 N 0.63 0.83 -0.02 5.81 0.87 -1.14 -0.65 113.55 119.88 1i1e h SER 757 Ca 0.11 -0.23 -0.18 0.00 -1.23 0.00 0.00 61.79 60.25 1i1e h SER 757 Cb 0.57 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1i1e h SER 757 CO 0.04 0.85 -0.64 0.11 -0.53 0.00 0.00 176.83 176.66 1i1e h LYS 758 N 0.77 0.64 -0.19 2.24 1.57 -1.04 -1.74 116.57 118.82 1i1e h LYS 758 Ca 0.17 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 1i1e h LYS 758 Cb 0.34 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1i1e h LYS 758 CO 0.00 1.07 0.00 -0.07 -0.57 0.00 0.00 179.45 179.89 1i1e h LEU 759 N 0.47 0.32 -1.47 2.94 3.38 -1.08 -1.92 115.31 117.95 1i1e h LEU 759 Ca -0.01 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1i1e h LEU 759 Cb 1.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1i1e h LEU 759 CO 0.12 0.54 0.05 -1.13 0.09 0.00 0.00 178.44 178.12 1i1e h ASN 760 N 0.08 0.36 -0.07 -0.43 -0.73 -1.11 -2.26 115.58 111.42 1i1e h ASN 760 Ca 0.05 -0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 1i1e h ASN 760 Cb 0.38 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.87 1i1e h ASN 760 CO 0.01 0.38 -0.04 -0.08 -0.37 0.00 0.00 177.43 177.34 1i1e h GLU 761 N 0.39 0.14 -0.78 6.67 4.57 -1.11 -1.74 114.58 122.74 1i1e h GLU 761 Ca 0.09 -0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.32 1i1e h GLU 761 Cb 0.18 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 1i1e h GLU 761 CO -0.00 0.53 0.51 0.78 -1.18 0.00 0.00 179.01 179.65 1i1e h GLY 762 N -0.25 0.95 0.64 1.92 0.00 -1.08 -1.44 103.07 103.81 1i1e h GLY 762 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1i1e h GLY 762 CO 0.01 0.13 -0.07 -2.22 0.00 0.00 0.00 176.54 174.40 1i1e h ILE 763 N 0.63 1.01 -0.88 2.60 2.04 -1.23 -2.16 117.51 119.52 1i1e h ILE 763 Ca 0.37 -0.75 0.10 0.00 1.00 0.00 0.00 64.86 65.58 1i1e h ILE 763 Cb 0.57 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 1i1e h ILE 763 CO -0.14 0.17 0.57 0.78 0.00 0.00 0.00 178.15 179.53 1i1e h ASN 764 N -0.55 0.77 -0.54 1.72 2.35 -0.71 0.44 115.58 119.06 1i1e h ASN 764 Ca -0.02 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1i1e h ASN 764 Cb 0.43 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1i1e h ASN 764 CO 0.03 0.45 0.10 1.56 -1.65 0.00 0.00 177.43 177.92 1i1e h GLN 765 N 0.85 0.93 -0.09 0.81 4.20 -1.22 -2.07 115.11 118.53 1i1e h GLN 765 Ca 0.41 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.77 1i1e h GLN 765 Cb 0.43 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.09 1i1e h GLN 765 CO -0.17 0.86 -0.41 0.00 -0.67 0.00 0.00 178.83 178.44 1i1e h ALA 766 N 1.22 0.16 -0.84 3.87 0.00 -0.24 -3.06 119.26 120.38 1i1e h ALA 766 Ca 0.18 -0.47 0.12 0.00 0.00 0.00 0.00 54.91 54.74 1i1e h ALA 766 Cb 0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1i1e h ALA 766 CO 0.01 0.29 0.45 0.82 0.00 0.00 0.00 179.25 180.82 1i1e h ILE 767 N -0.02 0.81 -0.72 0.00 1.08 -0.10 0.15 117.51 118.71 1i1e h ILE 767 Ca -0.03 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1i1e h ILE 767 Cb 1.06 0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 1i1e h ILE 767 CO 0.09 0.13 0.40 0.44 -0.69 0.00 0.00 178.15 178.52 1i1e h ASP 768 N 0.70 0.90 -0.02 1.72 3.32 -1.38 -0.07 116.42 121.59 1i1e h ASP 768 Ca 0.43 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1i1e h ASP 768 Cb 0.52 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1i1e h ASP 768 CO -0.31 0.73 -0.00 0.78 -1.72 0.00 0.00 179.24 178.72 1i1e h ASN 769 N 0.99 0.04 -0.99 6.45 2.35 -1.07 -1.71 115.58 121.64 1i1e h ASN 769 Ca 0.26 -0.33 0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1i1e h ASN 769 Cb 0.02 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.32 1i1e h ASN 769 CO -0.04 0.36 0.64 0.40 -1.65 0.00 0.00 177.43 177.13 1i1e h ILE 770 N -0.29 1.07 -0.07 2.81 2.04 -0.62 0.27 117.51 122.71 1i1e h ILE 770 Ca 0.01 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1i1e h ILE 770 Cb 0.34 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1i1e h ILE 770 CO 0.00 0.21 0.01 0.78 0.00 0.00 0.00 178.15 179.15 1i1e h ASN 771 N 1.14 0.11 -0.50 1.72 4.21 -0.90 0.24 115.58 121.61 1i1e h ASN 771 Ca 0.44 -0.25 0.02 0.00 1.21 0.00 0.00 56.30 57.72 1i1e h ASN 771 Cb 0.20 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.34 1i1e h ASN 771 CO -0.18 0.33 0.30 0.78 -1.29 0.00 0.00 177.43 177.37 1i1e h ASN 772 N -0.12 0.48 0.50 5.81 2.35 -0.68 0.26 115.58 124.19 1i1e h ASN 772 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1i1e h ASN 772 Cb 0.27 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1i1e h ASN 772 CO 0.00 0.34 -0.30 0.15 -1.65 0.00 0.00 177.43 175.98 1i1e h PHE 773 N 0.59 -0.79 -0.56 1.19 3.57 -0.27 -1.38 116.94 119.29 1i1e h PHE 773 Ca 0.20 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1i1e h PHE 773 Cb 0.01 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1i1e h PHE 773 CO -0.06 -0.46 0.36 0.82 -2.23 0.00 0.00 178.31 176.74 1i1e h ILE 774 N -0.76 1.15 -0.48 1.41 1.08 -0.35 -0.93 117.51 118.64 1i1e h ILE 774 Ca -0.06 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.09 1i1e h ILE 774 Cb 0.61 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 1i1e h ILE 774 CO 0.07 0.15 0.20 0.78 -0.69 0.00 0.00 178.15 178.65 1i1e h ASN 775 N 0.76 0.61 -0.39 1.72 2.35 -0.92 -0.78 115.58 118.93 1i1e h ASN 775 Ca 0.20 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1i1e h ASN 775 Cb -0.07 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1i1e h ASN 775 CO -0.04 0.55 0.23 1.23 -1.65 0.00 0.00 177.43 177.75 1i1e h GLY 776 N 0.81 0.58 0.97 2.83 0.00 -0.36 -1.46 103.07 106.44 1i1e h GLY 776 Ca 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1i1e h GLY 776 CO -0.02 0.24 0.04 0.00 0.00 0.00 0.00 176.54 176.80 1i1e h SER 778 N 0.06 0.51 0.03 0.00 0.87 -0.96 0.19 113.55 114.26 1i1e h SER 778 Ca 0.02 0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.51 1i1e h SER 778 Cb 0.02 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1i1e h SER 778 CO -0.00 0.30 -0.43 0.58 -0.53 0.00 0.00 176.83 176.75 1i1e h VAL 779 N 0.65 1.31 -0.10 2.23 2.07 -1.07 -2.14 116.25 119.20 1i1e h VAL 779 Ca 0.35 -1.60 0.02 0.00 0.82 0.00 0.00 66.70 66.29 1i1e h VAL 779 Cb 0.33 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1i1e h VAL 779 CO -0.25 0.50 -0.05 -1.28 0.02 0.00 0.00 177.57 176.51 1i1e h SER 780 N 0.40 -0.15 -0.37 0.57 0.87 0.52 -1.19 113.55 114.20 1i1e h SER 780 Ca 0.03 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1i1e h SER 780 Cb 0.92 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1i1e h SER 780 CO 0.08 -0.06 0.18 0.22 -0.53 0.00 0.00 176.83 176.72 1i1e h TYR 781 N -0.04 0.57 0.62 2.24 3.20 -0.49 -0.53 116.97 122.54 1i1e h TYR 781 Ca 0.06 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1i1e h TYR 781 Cb 0.12 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.21 1i1e h TYR 781 CO -0.17 0.44 -0.30 1.25 -1.64 0.00 0.00 178.16 177.75 1i1e h LEU 782 N 0.58 -0.70 -1.21 2.82 5.85 -0.69 -1.34 115.31 120.62 1i1e h LEU 782 Ca 0.15 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1i1e h LEU 782 Cb 0.09 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1i1e h LEU 782 CO -0.02 -0.41 -0.31 0.24 -0.34 0.00 0.00 178.44 177.60 1i1e h MET 783 N -0.97 0.13 0.00 1.25 2.86 -1.04 -0.56 114.93 116.59 1i1e h MET 783 Ca -0.08 -0.05 -0.21 0.00 -2.06 0.00 0.00 59.70 57.29 1i1e h MET 783 Cb 0.68 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 1i1e h MET 783 CO 0.14 0.44 -1.93 1.63 1.06 0.00 0.00 176.91 178.25 1i1e n LYS 784 N -4.13 1.44 -0.00 1.72 5.02 -0.22 -4.24 118.16 117.74 1i1e n LYS 784 Ca -0.01 -0.03 0.07 0.00 -2.02 0.00 0.00 58.31 56.31 1i1e n LYS 784 Cb 0.39 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 33.94 1i1e n LYS 784 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1i1e n LYS 785 N -2.44 1.94 0.01 1.97 4.76 -0.53 -4.63 118.16 119.25 1i1e n LYS 785 Ca -0.19 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 1i1e n LYS 785 Cb 0.86 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.83 1i1e n LYS 785 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1i1e n MET 786 N -1.39 0.00 -0.19 1.97 2.81 -0.96 -4.66 117.12 114.70 1i1e n MET 786 Ca 0.03 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.89 1i1e n MET 786 Cb 0.24 -0.46 0.08 0.00 -0.71 0.00 0.00 33.22 32.37 1i1e n MET 786 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1i1e h ILE 787 N 0.00 0.90 -0.58 2.02 1.08 -1.31 -2.76 117.51 116.87 1i1e h ILE 787 Ca 0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1i1e h ILE 787 Cb 0.80 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 1i1e h ILE 787 CO 0.00 0.09 0.36 -0.65 -0.69 0.00 0.00 178.15 177.27 1i1e h PRO 788 N 0.52 0.78 0.00 2.37 0.11 -1.80 0.14 132.00 134.11 1i1e h PRO 788 Ca 0.27 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1i1e h PRO 788 Cb 0.22 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 1i1e h PRO 788 CO -0.21 0.54 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.06 1i1e h LEU 789 N 0.78 0.00 0.11 2.35 3.38 -1.76 -0.34 115.31 119.83 1i1e h LEU 789 Ca 0.21 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.87 1i1e h LEU 789 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1i1e h LEU 789 CO -0.04 0.00 -1.65 0.00 0.09 0.00 0.00 178.44 176.84 1i1e h ALA 790 N 2.00 0.28 -1.00 1.53 0.00 -1.03 -3.32 119.26 117.72 1i1e h ALA 790 Ca -0.00 -1.23 0.10 0.00 0.00 0.00 0.00 54.91 53.78 1i1e h ALA 790 Cb 0.00 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1i1e h ALA 790 CO 0.00 1.01 0.64 0.28 0.00 0.00 0.00 179.25 181.18 1i1e h VAL 791 N -0.22 1.00 -0.01 0.00 2.07 -0.06 -1.11 116.25 117.92 1i1e h VAL 791 Ca -0.36 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1i1e h VAL 791 Cb 1.84 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1i1e h VAL 791 CO 0.05 0.20 -0.27 -0.08 0.02 0.00 0.00 177.57 177.48 1i1e h GLU 792 N 1.07 -0.39 -0.10 1.57 4.81 -1.21 0.44 114.58 120.77 1i1e h GLU 792 Ca 0.47 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1i1e h GLU 792 Cb 0.35 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1i1e h GLU 792 CO -0.22 -0.26 0.05 0.87 -0.73 0.00 0.00 179.01 178.72 1i1e h LYS 793 N -0.41 0.14 -0.86 1.92 1.79 -1.48 -1.91 116.57 115.75 1i1e h LYS 793 Ca 0.07 -0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.61 1i1e h LYS 793 Cb 0.50 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.06 1i1e h LYS 793 CO -0.24 0.21 0.56 -0.07 -1.08 0.00 0.00 179.45 178.83 1i1e h LEU 794 N 0.03 0.77 -0.53 2.94 3.38 -1.03 0.23 115.31 121.09 1i1e h LEU 794 Ca 0.03 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1i1e h LEU 794 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1i1e h LEU 794 CO -0.00 0.45 -0.37 -0.07 0.09 0.00 0.00 178.44 178.54 1i1e h LEU 795 N 0.85 0.83 -0.74 1.67 3.38 -0.67 -0.45 115.31 120.18 1i1e h LEU 795 Ca 0.40 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1i1e h LEU 795 Cb 0.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1i1e h LEU 795 CO -0.16 1.11 0.02 -0.78 0.09 0.00 0.00 178.44 178.71 1i1e h ASP 796 N 0.64 0.96 -0.63 -0.43 -0.00 -0.33 -2.12 116.42 114.51 1i1e h ASP 796 Ca 0.06 -0.25 -0.03 0.00 -0.00 0.00 0.00 57.03 56.81 1i1e h ASP 796 Cb 0.92 -0.26 -0.03 0.00 -0.00 0.00 0.00 39.33 39.97 1i1e h ASP 796 CO 0.08 1.00 0.27 0.15 -0.00 0.00 0.00 179.24 180.75 1i1e h PHE 797 N 0.91 0.94 0.20 0.28 3.57 -0.32 -2.13 116.94 120.39 1i1e h PHE 797 Ca 0.17 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1i1e h PHE 797 Cb 0.50 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1i1e h PHE 797 CO 0.03 0.73 -0.30 -0.44 -2.23 0.00 0.00 178.31 176.10 1i1e h ASP 798 N 0.87 -0.83 -0.01 0.41 5.19 -0.64 0.73 116.42 122.14 1i1e h ASP 798 Ca 0.21 0.09 0.03 0.00 -0.62 0.00 0.00 57.03 56.74 1i1e h ASP 798 Cb 0.17 0.30 -0.05 0.00 0.18 0.00 0.00 39.33 39.93 1i1e h ASP 798 CO -0.02 -0.40 -0.34 -1.13 -3.12 0.00 0.00 179.24 174.23 1i1e h ASN 799 N -0.56 -1.01 -0.84 6.45 -0.00 -1.27 0.58 115.58 118.92 1i1e h ASN 799 Ca 0.01 0.13 0.18 0.00 -0.00 0.00 0.00 56.30 56.62 1i1e h ASN 799 Cb 0.56 0.41 -0.06 0.00 -0.00 0.00 0.00 38.32 39.23 1i1e h ASN 799 CO -0.12 -0.39 0.56 0.74 -0.00 0.00 0.00 177.43 178.21 1i1e h THR 800 N -0.48 0.73 0.02 -3.57 2.02 -1.16 0.21 112.91 110.67 1i1e h THR 800 Ca 0.06 -0.14 -0.21 0.00 0.77 0.00 0.00 66.41 66.89 1i1e h THR 800 Cb 0.57 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1i1e h THR 800 CO -0.28 0.08 -0.95 0.25 0.37 0.00 0.00 175.52 174.98 1i1e h LEU 801 N 0.41 0.18 0.41 2.58 5.85 0.12 -2.95 115.31 121.91 1i1e h LEU 801 Ca 0.43 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1i1e h LEU 801 Cb 1.03 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1i1e h LEU 801 CO -0.15 1.02 -0.25 0.50 -0.34 0.00 0.00 178.44 179.23 1i1e h LYS 802 N 0.06 -0.60 -0.26 1.25 3.64 0.33 0.20 116.57 121.20 1i1e h LYS 802 Ca -0.04 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1i1e h LYS 802 Cb 1.62 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.56 1i1e h LYS 802 CO 0.14 -0.40 0.11 1.57 -2.27 0.00 0.00 179.45 178.60 1i1e h LYS 803 N -0.62 0.38 -1.00 1.90 2.10 -1.55 -0.89 116.57 116.88 1i1e h LYS 803 Ca -0.05 -0.06 0.22 0.00 -2.00 0.00 0.00 60.65 58.76 1i1e h LYS 803 Cb 0.51 -0.06 -0.12 0.00 -0.90 0.00 0.00 32.23 31.66 1i1e h LYS 803 CO 0.05 0.40 0.59 -0.97 -2.00 0.00 0.00 179.45 177.52 1i1e h ASN 804 N 0.27 0.71 0.59 7.07 -0.73 -1.33 0.61 115.58 122.77 1i1e h ASN 804 Ca 0.09 0.12 -0.28 0.00 1.87 0.00 0.00 56.30 58.10 1i1e h ASN 804 Cb 0.16 0.01 0.01 0.00 0.27 0.00 0.00 38.32 38.76 1i1e h ASN 804 CO -0.01 0.17 -1.26 -0.07 -0.37 0.00 0.00 177.43 175.89 1i1e h LEU 805 N 0.65 0.47 0.27 0.34 3.38 -0.56 -2.57 115.31 117.28 1i1e h LEU 805 Ca 0.62 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1i1e h LEU 805 Cb 1.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1i1e h LEU 805 CO -0.44 1.39 -0.13 -0.07 0.09 0.00 0.00 178.44 179.28 1i1e h LEU 806 N 0.09 -0.31 -1.86 1.67 3.38 -0.01 -0.00 115.31 118.27 1i1e h LEU 806 Ca -0.14 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.67 1i1e h LEU 806 Cb 1.98 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.80 1i1e h LEU 806 CO 0.21 0.15 0.45 -1.13 0.09 0.00 0.00 178.44 178.21 1i1e h ASN 807 N -0.85 0.00 0.05 -0.43 -0.73 0.06 0.46 115.58 114.13 1i1e h ASN 807 Ca -0.04 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.02 1i1e h ASN 807 Cb 0.51 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.10 1i1e h ASN 807 CO 0.06 0.00 -0.56 0.22 -0.37 0.00 0.00 177.43 176.78 1i1e h TYR 808 N 0.00 0.18 0.00 0.67 3.20 -1.17 -2.45 116.97 117.40 1i1e h TYR 808 Ca 0.12 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1i1e h TYR 808 Cb 1.02 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1i1e h TYR 808 CO 0.00 1.22 0.00 0.82 -1.64 0.00 0.00 178.16 178.56 1i1e h ILE 809 N -0.77 0.00 0.00 1.81 2.04 0.14 -2.84 117.51 117.89 1i1e h ILE 809 Ca -0.13 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1i1e h ILE 809 Cb 1.29 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1i1e h ILE 809 CO 0.01 0.00 -0.00 -0.78 0.00 0.00 0.00 178.15 177.38 1i1e h ASP 810 N 0.00 -0.00 -0.00 1.72 1.82 -0.23 -2.89 116.42 116.83 1i1e h ASP 810 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1i1e h ASP 810 Cb 0.13 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 1i1e h ASP 810 CO 0.00 0.56 0.14 -0.33 -1.61 0.00 0.00 179.24 178.01 1i1e h GLU 811 N -1.00 0.00 -0.26 0.28 5.08 -1.20 0.20 114.58 117.67 1i1e h GLU 811 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i1e h GLU 811 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1i1e h GLU 811 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 1i1e n ASN 812 N -3.02 3.05 -0.37 1.42 3.02 -1.11 -4.67 115.26 113.57 1i1e n ASN 812 Ca -0.02 -2.34 0.37 0.00 -0.03 0.00 0.00 54.58 52.55 1i1e n ASN 812 Cb 0.21 -0.30 0.69 0.00 -0.61 0.00 0.00 39.78 39.76 1i1e n ASN 812 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1i1e h LYS 813 N 1.60 0.00 0.28 3.52 2.10 -0.72 -0.64 116.57 122.71 1i1e h LYS 813 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1i1e h LYS 813 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1i1e h LYS 813 CO 0.06 0.00 -0.14 -0.07 -2.00 0.00 0.00 179.45 177.31 1i1e h LEU 814 N 0.00 -0.32 -0.16 7.07 3.38 -1.83 -2.74 115.31 120.71 1i1e h LEU 814 Ca 0.62 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1i1e h LEU 814 Cb 2.80 0.08 0.00 0.00 0.09 0.00 0.00 40.66 43.63 1i1e h LEU 814 CO -0.01 -0.12 0.00 -1.22 0.09 0.00 0.00 178.44 177.19 1i1e n TYR 815 N -3.65 0.00 0.00 1.13 4.02 -0.27 -0.63 117.16 117.76 1i1e n TYR 815 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1i1e n TYR 815 Cb 0.15 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1i1e n TYR 815 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1i1e n LEU 816 N -0.36 0.00 0.00 7.72 4.77 -1.04 -4.30 117.00 123.79 1i1e n LEU 816 Ca 0.00 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1i1e n LEU 816 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1i1e n LEU 816 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.68 1i1e n ILE 817 N -1.24 0.00 -1.34 -0.08 5.41 0.20 -2.19 119.36 120.11 1i1e n ILE 817 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 1i1e n ILE 817 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 1i1e n ILE 817 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1i1e n GLY 818 N 0.00 4.13 0.00 7.39 0.00 -1.26 -2.90 105.19 112.56 1i1e n GLY 818 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1i1e n GLY 818 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i1e n SER 819 N 4.30 0.00 0.00 1.61 3.41 -0.93 -4.87 113.62 117.14 1i1e n SER 819 Ca 0.69 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 1i1e n SER 819 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1i1e n SER 819 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i1e n ALA 820 N 0.00 1.04 -0.07 7.33 0.00 -1.14 -1.09 120.51 126.57 1i1e n ALA 820 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1i1e n ALA 820 Cb 0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 1i1e n ALA 820 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1i1e n GLU 821 N -1.05 0.34 0.12 0.00 4.07 -1.26 -3.62 120.64 119.23 1i1e n GLU 821 Ca 0.00 0.15 0.18 0.00 -0.06 0.00 0.00 57.16 57.43 1i1e n GLU 821 Cb 0.04 -1.07 0.57 0.00 -0.06 0.00 0.00 31.44 30.92 1i1e n GLU 821 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1i1e h TYR 822 N -0.58 0.00 0.00 4.31 3.20 -1.45 0.41 116.97 122.86 1i1e h TYR 822 Ca -0.35 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.41 1i1e h TYR 822 Cb 1.24 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 1i1e h TYR 822 CO -0.08 0.00 -1.83 0.39 -1.64 0.00 0.00 178.16 174.99 1i1e n GLU 823 N -3.20 0.98 -0.31 1.82 1.02 -0.97 -3.54 120.64 116.42 1i1e n GLU 823 Ca 0.08 -0.08 0.09 0.00 -0.02 0.00 0.00 57.16 57.22 1i1e n GLU 823 Cb 0.84 -1.37 0.30 0.00 -0.02 0.00 0.00 31.44 31.19 1i1e n GLU 823 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1i1e h LYS 824 N 0.00 0.85 0.06 3.49 1.63 -0.26 0.11 116.57 122.45 1i1e h LYS 824 Ca -0.17 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.50 1i1e h LYS 824 Cb 1.22 -0.19 0.01 0.00 -0.60 0.00 0.00 32.23 32.67 1i1e h LYS 824 CO 0.01 0.56 -0.36 0.66 -3.45 0.00 0.00 179.45 176.87 1i1e h SER 825 N 0.87 0.21 -1.35 4.20 4.64 -1.64 -3.20 113.55 117.28 1i1e h SER 825 Ca 0.46 -0.97 0.44 0.00 -0.47 0.00 0.00 61.79 61.25 1i1e h SER 825 Cb 0.54 -0.07 -0.12 0.00 -0.31 0.00 0.00 62.40 62.44 1i1e h SER 825 CO -0.22 1.16 0.88 0.50 -0.87 0.00 0.00 176.83 178.28 1i1e h LYS 826 N -0.71 0.08 -0.06 4.77 3.64 -1.29 1.33 116.57 124.34 1i1e h LYS 826 Ca -0.06 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.07 1i1e h LYS 826 Cb 1.27 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1i1e h LYS 826 CO 0.07 0.05 -0.92 0.28 -2.27 0.00 0.00 179.45 176.66 1i1e h VAL 827 N 0.08 1.31 -0.03 2.00 2.07 -0.88 -2.73 116.25 118.07 1i1e h VAL 827 Ca 0.82 -2.19 -0.12 0.00 0.82 0.00 0.00 66.70 66.04 1i1e h VAL 827 Cb 2.63 2.24 0.01 0.00 -1.52 0.00 0.00 31.29 34.64 1i1e h VAL 827 CO -0.39 0.68 -0.45 0.78 0.02 0.00 0.00 177.57 178.20 1i1e h ASN 828 N 0.40 0.45 0.44 0.57 2.35 0.15 -2.31 115.58 117.64 1i1e h ASN 828 Ca -0.09 -0.72 -0.04 0.00 -0.55 0.00 0.00 56.30 54.90 1i1e h ASN 828 Cb 1.55 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.78 1i1e h ASN 828 CO 0.18 1.11 -0.19 0.07 -1.65 0.00 0.00 177.43 176.94 1i1e h LYS 829 N -0.17 0.00 0.10 0.81 2.10 -0.50 -1.93 116.57 116.99 1i1e h LYS 829 Ca -0.05 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.47 1i1e h LYS 829 Cb 1.15 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.49 1i1e h LYS 829 CO 0.09 0.19 -0.59 -0.92 -2.00 0.00 0.00 179.45 176.22 1i1e h TYR 830 N 0.00 0.37 0.00 0.07 3.20 -1.52 -3.18 116.97 115.91 1i1e h TYR 830 Ca -0.00 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.60 1i1e h TYR 830 Cb 0.46 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1i1e h TYR 830 CO 0.00 1.23 0.00 1.28 -1.64 0.00 0.00 178.16 179.03 1i1e n LEU 831 N -4.27 0.00 -0.03 2.82 4.77 -0.87 -3.00 117.00 116.42 1i1e n LEU 831 Ca -0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.63 1i1e n LEU 831 Cb 0.72 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.68 1i1e n LEU 831 CO 0.44 0.00 -0.69 0.50 -1.33 0.00 0.00 177.39 176.30 1i1e h LYS 832 N 0.00 0.17 -5.97 3.23 1.63 -1.33 -3.45 116.57 110.85 1i1e h LYS 832 Ca 0.00 -0.29 -0.57 0.00 -0.85 0.00 0.00 60.65 58.94 1i1e h LYS 832 Cb 0.00 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 1i1e h LYS 832 CO 0.00 1.14 0.21 0.95 -3.45 0.00 0.00 179.45 178.30 1i1e s THR 833 N -2.48 4.98 0.18 1.00 -4.23 -1.16 -5.06 115.64 108.86 1i1e s THR 833 Ca -0.25 1.50 0.06 0.00 -1.18 0.00 0.00 61.69 61.82 1i1e s THR 833 Cb 0.06 -4.07 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 1i1e s THR 833 CO 0.70 0.15 0.08 0.27 -0.54 0.00 0.00 174.62 175.29 1i1e s ILE 834 N 1.43 4.16 -0.23 2.99 -4.36 -1.26 -4.97 121.20 118.96 1i1e s ILE 834 Ca 0.37 -1.26 -0.29 0.00 -0.26 0.00 0.00 60.65 59.21 1i1e s ILE 834 Cb -0.17 -3.13 -0.00 0.00 1.25 0.00 0.00 42.46 40.41 1i1e s ILE 834 CO 0.15 -0.13 1.22 -0.32 0.24 0.00 0.00 174.94 176.11 1i1e s MET 835 N -3.11 4.13 0.04 0.37 -2.45 -1.26 -5.00 119.30 112.02 1i1e s MET 835 Ca 0.30 1.44 -0.30 0.00 -1.25 0.00 0.00 55.69 55.88 1i1e s MET 835 Cb -0.09 -3.78 -0.05 0.00 1.25 0.00 0.00 34.83 32.16 1i1e s MET 835 CO 0.22 -0.83 1.11 -2.14 1.05 0.00 0.00 175.02 174.42 1i1e s PRO 836 N 3.66 4.49 0.38 4.11 0.02 -1.26 -4.98 135.00 141.42 1i1e s PRO 836 Ca 0.53 1.63 -0.27 0.00 0.02 0.00 0.00 61.00 62.91 1i1e s PRO 836 Cb -0.18 -3.39 -0.11 0.00 0.02 0.00 0.00 34.50 30.84 1i1e s PRO 836 CO 0.16 -0.17 1.33 0.34 -0.33 0.00 0.00 177.00 178.34 1i1e n PHE 837 N 3.86 2.41 -3.38 6.54 7.35 -1.26 -4.99 117.46 127.99 1i1e n PHE 837 Ca 0.08 0.51 -0.17 0.00 -0.76 0.00 0.00 57.45 57.11 1i1e n PHE 837 Cb 0.48 -2.43 -0.09 0.00 0.35 0.00 0.00 39.48 37.79 1i1e n PHE 837 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1i1e s ASP 838 N -0.34 1.45 0.42 -2.13 -1.08 -1.26 -5.03 116.67 108.70 1i1e s ASP 838 Ca 0.57 -1.11 0.24 0.00 -0.52 0.00 0.00 52.55 51.72 1i1e s ASP 838 Cb -0.53 0.53 1.25 0.00 -1.46 0.00 0.00 42.92 42.71 1i1e s ASP 838 CO 0.61 -0.33 1.71 0.25 0.52 0.00 0.00 175.17 177.93 1i1e h LEU 839 N 7.75 0.35 -0.41 -1.34 5.85 -1.96 0.80 115.31 126.34 1i1e h LEU 839 Ca -0.05 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1i1e h LEU 839 Cb 1.07 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1i1e h LEU 839 CO 0.28 -0.03 0.00 -1.54 -0.34 0.00 0.00 178.44 176.80 1i1e n SER 840 N -4.65 0.19 0.12 1.25 3.41 -1.26 -1.22 113.62 111.45 1i1e n SER 840 Ca 0.30 0.58 -0.00 0.00 -0.26 0.00 0.00 58.87 59.49 1i1e n SER 840 Cb 1.12 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 1i1e n SER 840 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1i1e h ILE 841 N 0.00 1.13 -0.31 -1.33 1.08 -1.27 -3.30 117.51 113.50 1i1e h ILE 841 Ca 0.00 -2.59 0.00 0.00 -0.39 0.00 0.00 64.86 61.88 1i1e h ILE 841 Cb 0.07 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 1i1e h ILE 841 CO 0.00 0.64 0.00 -1.22 -0.69 0.00 0.00 178.15 176.88 1i1e n TYR 842 N -3.26 0.40 -3.58 1.37 4.01 -0.35 -4.99 117.16 110.75 1i1e n TYR 842 Ca 0.01 -0.26 -0.07 0.00 -0.16 0.00 0.00 57.90 57.43 1i1e n TYR 842 Cb 0.80 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.79 1i1e n TYR 842 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1i1e s THR 843 N -1.26 0.00 -0.04 -0.72 -1.32 -1.14 -4.55 115.64 106.60 1i1e s THR 843 Ca 0.30 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.85 1i1e s THR 843 Cb 0.18 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.27 1i1e s THR 843 CO 0.25 0.00 0.99 -0.46 -2.21 0.00 0.00 174.62 173.19 1i1e n ASN 844 N 0.30 1.70 -4.65 8.08 0.23 -1.26 -4.33 115.26 115.32 1i1e n ASN 844 Ca -0.05 -2.25 -0.42 0.00 -0.53 0.00 0.00 54.58 51.32 1i1e n ASN 844 Cb 0.59 -0.17 -0.03 0.00 -2.08 0.00 0.00 39.78 38.10 1i1e n ASN 844 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1i1e s ASP 845 N -1.52 6.59 0.22 0.53 -1.08 -1.26 -4.89 116.67 115.25 1i1e s ASP 845 Ca 0.11 2.14 -0.08 0.00 -0.52 0.00 0.00 52.55 54.20 1i1e s ASP 845 Cb 0.10 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.38 1i1e s ASP 845 CO 0.01 -1.01 1.69 0.74 0.52 0.00 0.00 175.17 177.13 1i1e h THR 846 N 5.71 0.58 -0.49 1.71 2.02 -1.99 -1.34 112.91 119.10 1i1e h THR 846 Ca -0.39 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1i1e h THR 846 Cb 1.18 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1i1e h THR 846 CO 0.96 0.05 0.32 0.40 0.37 0.00 0.00 175.52 177.61 1i1e h ILE 847 N 0.25 1.14 -0.11 3.11 1.08 -1.99 -0.28 117.51 120.70 1i1e h ILE 847 Ca 0.35 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.47 1i1e h ILE 847 Cb 0.56 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1i1e h ILE 847 CO -0.46 0.13 -0.31 -0.07 -0.69 0.00 0.00 178.15 176.76 1i1e h LEU 848 N 0.66 0.21 -0.06 1.44 3.38 -1.82 -1.64 115.31 117.48 1i1e h LEU 848 Ca 0.18 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 1i1e h LEU 848 Cb -0.05 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1i1e h LEU 848 CO -0.04 0.52 -0.70 0.40 0.09 0.00 0.00 178.44 178.71 1i1e h ILE 849 N 0.19 1.35 -0.68 1.22 1.08 -0.86 -2.84 117.51 116.97 1i1e h ILE 849 Ca 0.03 -2.02 -0.03 0.00 -0.39 0.00 0.00 64.86 62.44 1i1e h ILE 849 Cb 0.64 2.33 -0.03 0.00 -3.07 0.00 0.00 36.82 36.69 1i1e h ILE 849 CO 0.05 0.61 0.30 -0.33 -0.69 0.00 0.00 178.15 178.09 1i1e h GLU 850 N 0.18 0.98 -0.37 2.37 5.08 -0.87 0.50 114.58 122.45 1i1e h GLU 850 Ca -0.07 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1i1e h GLU 850 Cb 1.36 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1i1e h GLU 850 CO 0.14 0.78 0.23 0.52 -1.00 0.00 0.00 179.01 179.68 1i1e h MET 851 N 0.97 0.45 -0.36 2.33 2.86 -1.31 0.14 114.93 120.01 1i1e h MET 851 Ca 0.23 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.80 1i1e h MET 851 Cb 0.14 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1i1e h MET 851 CO -0.03 0.30 0.04 0.35 1.06 0.00 0.00 176.91 178.63 1i1e h PHE 852 N 0.46 0.66 -0.26 -0.22 3.57 -1.14 -1.76 116.94 118.25 1i1e h PHE 852 Ca 0.14 -0.10 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 1i1e h PHE 852 Cb -0.02 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1i1e h PHE 852 CO -0.06 0.69 -0.47 -0.91 -2.23 0.00 0.00 178.31 175.32 1i1e h ASN 853 N 0.44 0.75 -0.94 0.41 2.35 -0.76 -1.88 115.58 115.95 1i1e h ASN 853 Ca 0.11 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1i1e h ASN 853 Cb 0.40 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 1i1e h ASN 853 CO 0.01 1.10 0.58 0.50 -1.65 0.00 0.00 177.43 177.97 1i1e h LYS 854 N 0.55 1.28 -0.08 0.81 3.64 -0.62 -1.63 116.57 120.52 1i1e h LYS 854 Ca 0.03 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1i1e h LYS 854 Cb 1.02 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1i1e h LYS 854 CO 0.10 0.89 0.02 -0.92 -2.27 0.00 0.00 179.45 177.27 1i1e h TYR 855 N 1.30 0.13 0.00 1.91 3.20 -1.06 -2.96 116.97 119.49 1i1e h TYR 855 Ca 0.34 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.19 1i1e h TYR 855 Cb -0.07 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1i1e h TYR 855 CO 0.00 0.30 0.00 0.09 -1.64 0.00 0.00 178.16 176.91 1i1e n ASN 856 N -4.91 0.00 -0.19 -2.11 3.02 -0.73 -2.28 115.26 108.07 1i1e n ASN 856 Ca -0.06 0.22 0.11 0.00 -0.03 0.00 0.00 54.58 54.82 1i1e n ASN 856 Cb 0.14 -0.37 0.04 0.00 -0.61 0.00 0.00 39.78 38.98 1i1e n ASN 856 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1i1e n SER 857 N -1.37 1.26 -4.46 6.41 3.41 -0.64 -4.79 113.62 113.44 1i1e n SER 857 Ca 0.07 -1.04 -0.44 0.00 -0.26 0.00 0.00 58.87 57.21 1i1e n SER 857 Cb 0.17 0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 64.67 1i1e n SER 857 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1i1e s GLU 858 N -2.77 3.17 0.42 4.33 2.02 -0.96 -4.94 118.70 119.97 1i1e s GLU 858 Ca 0.14 -0.76 0.24 0.00 0.02 0.00 0.00 54.97 54.60 1i1e s GLU 858 Cb 0.17 -4.11 1.24 0.00 0.10 0.00 0.00 34.13 31.54 1i1e s GLU 858 CO 0.70 -1.34 1.72 0.97 0.02 0.00 0.00 175.26 177.34 1i1e h ILE 859 N 5.91 0.38 0.00 -1.63 6.09 -1.86 0.73 117.51 127.13 1i1e h ILE 859 Ca -0.27 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1i1e h ILE 859 Cb 1.09 0.09 0.00 0.00 0.47 0.00 0.00 36.82 38.47 1i1e h ILE 859 CO 1.02 0.05 0.00 -0.07 -3.07 0.00 0.00 178.15 176.07 1i1e h LEU 860 N 0.26 0.00 -0.35 2.19 3.38 -1.93 -0.96 115.31 117.91 1i1e h LEU 860 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 1i1e h LEU 860 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1i1e h LEU 860 CO -0.32 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.80 1i1e n ASN 861 N -2.80 0.54 -0.81 -0.43 3.02 0.25 -3.08 115.26 111.94 1i1e n ASN 861 Ca -0.02 -1.22 0.12 0.00 -0.03 0.00 0.00 54.58 53.43 1i1e n ASN 861 Cb 0.11 -0.01 0.30 0.00 -0.61 0.00 0.00 39.78 39.57 1i1e n ASN 861 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1i1e n ASN 862 N -0.56 2.45 -4.63 6.41 3.02 -0.37 -4.88 115.26 116.70 1i1e n ASN 862 Ca 0.21 -1.83 -0.43 0.00 -0.03 0.00 0.00 54.58 52.51 1i1e n ASN 862 Cb 0.19 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 1i1e n ASN 862 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i1e s ILE 863 N -1.75 4.37 -1.50 2.41 1.01 -1.18 -0.82 121.20 123.74 1i1e s ILE 863 Ca 0.34 1.56 0.16 0.00 0.00 0.00 0.00 60.65 62.71 1i1e s ILE 863 Cb 0.20 -4.33 0.41 0.00 0.01 0.00 0.00 42.46 38.75 1i1e s ILE 863 CO 0.29 -0.50 1.33 2.30 0.00 0.00 0.00 174.94 178.36 1i1e n ILE 864 N 6.02 0.86 -3.65 2.92 -5.35 0.45 -4.83 119.36 115.79 1i1e n ILE 864 Ca 0.13 -0.93 -0.01 0.00 -0.27 0.00 0.00 62.75 61.67 1i1e n ILE 864 Cb 0.47 0.62 -0.06 0.00 -1.74 0.00 0.00 39.64 38.93 1i1e n ILE 864 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1i1e s LEU 865 N -1.06 -0.35 -0.36 7.28 2.96 -1.20 -4.86 118.68 121.08 1i1e s LEU 865 Ca 0.33 0.57 0.04 0.00 -0.22 0.00 0.00 54.13 54.84 1i1e s LEU 865 Cb 0.18 1.52 0.16 0.00 0.50 0.00 0.00 46.19 48.55 1i1e s LEU 865 CO 0.23 -0.09 0.42 0.21 -1.32 0.00 0.00 176.35 175.81 1i1e s ASN 866 N 1.22 0.59 -0.23 3.68 3.84 -1.26 -0.12 114.94 122.65 1i1e s ASN 866 Ca -0.08 -1.24 -0.29 0.00 0.21 0.00 0.00 52.86 51.45 1i1e s ASN 866 Cb -0.03 0.89 -0.01 0.00 -0.55 0.00 0.00 41.25 41.55 1i1e s ASN 866 CO -0.13 -0.26 1.27 -0.76 -2.79 0.00 0.00 177.10 174.43 1i1e s LEU 867 N 1.69 4.03 0.15 3.21 1.43 -0.47 -1.57 118.68 127.17 1i1e s LEU 867 Ca 0.15 1.45 0.06 0.00 -1.03 0.00 0.00 54.13 54.76 1i1e s LEU 867 Cb -0.13 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1i1e s LEU 867 CO -0.09 -0.91 -0.13 -0.13 0.23 0.00 0.00 176.35 175.33 1i1e s ARG 868 N 3.80 1.13 0.08 1.70 1.81 -0.45 -4.15 118.95 122.87 1i1e s ARG 868 Ca 0.55 -1.42 -0.25 0.00 -1.72 0.00 0.00 55.73 52.89 1i1e s ARG 868 Cb -0.19 -0.87 -0.06 0.00 -0.45 0.00 0.00 34.95 33.38 1i1e s ARG 868 CO 0.18 0.14 0.76 -0.47 -0.68 0.00 0.00 175.30 175.24 1i1e s TYR 869 N -2.81 3.79 -0.28 -0.53 5.04 -1.26 -0.84 117.35 120.46 1i1e s TYR 869 Ca 0.16 1.52 -0.06 0.00 -2.44 0.00 0.00 57.07 56.24 1i1e s TYR 869 Cb -0.01 -2.80 0.14 0.00 0.35 0.00 0.00 41.96 39.64 1i1e s TYR 869 CO 0.03 0.35 0.58 0.15 -1.34 0.00 0.00 175.55 175.32 1i1e s LYS 870 N -0.40 0.52 -0.94 4.97 -0.14 0.46 -4.96 119.74 119.25 1i1e s LYS 870 Ca 0.38 1.19 -0.08 0.00 -1.36 0.00 0.00 55.97 56.10 1i1e s LYS 870 Cb -0.21 0.59 -0.02 0.00 -1.68 0.00 0.00 37.83 36.52 1i1e s LYS 870 CO 0.24 -0.37 0.75 -0.25 -0.76 0.00 0.00 175.35 174.97 1i1e n ASP 871 N 5.43 -6.33 -4.13 2.83 8.00 -1.26 -2.91 116.55 118.19 1i1e n ASP 871 Ca -0.08 -0.64 -0.35 0.00 0.71 0.00 0.00 54.79 54.44 1i1e n ASP 871 Cb 0.50 -4.07 -0.04 0.00 -0.02 0.00 0.00 41.12 37.49 1i1e n ASP 871 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1i1e n ASN 872 N -2.46 -1.43 -3.55 -2.24 2.85 -1.26 -4.94 115.26 102.22 1i1e n ASN 872 Ca -0.10 -1.22 -0.07 0.00 -0.11 0.00 0.00 54.58 53.08 1i1e n ASN 872 Cb 0.58 -2.02 -0.03 0.00 1.24 0.00 0.00 39.78 39.56 1i1e n ASN 872 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1i1e s ASN 873 N -4.03 -0.28 -0.22 1.20 3.04 -1.14 -5.08 114.94 108.43 1i1e s ASN 873 Ca 0.20 0.07 -0.09 0.00 0.04 0.00 0.00 52.86 53.08 1i1e s ASN 873 Cb -0.10 0.28 -0.05 0.00 -1.54 0.00 0.00 41.25 39.84 1i1e s ASN 873 CO 0.96 -0.42 0.12 -0.76 -3.04 0.00 0.00 177.10 173.96 1i1e s LEU 874 N -2.09 3.99 0.08 3.21 1.43 -1.26 -0.41 118.68 123.63 1i1e s LEU 874 Ca 0.05 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 1i1e s LEU 874 Cb -0.01 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1i1e s LEU 874 CO -0.06 0.10 -0.10 0.27 0.23 0.00 0.00 176.35 176.80 1i1e s ILE 875 N 0.81 0.84 -0.17 -0.59 -4.36 -0.02 -4.80 121.20 112.91 1i1e s ILE 875 Ca 0.06 -1.42 -0.27 0.00 -0.26 0.00 0.00 60.65 58.76 1i1e s ILE 875 Cb -0.13 -1.09 -0.01 0.00 1.25 0.00 0.00 42.46 42.48 1i1e s ILE 875 CO 0.02 -0.46 0.91 -0.62 0.24 0.00 0.00 174.94 175.03 1i1e s ASP 876 N -2.08 7.04 -0.15 4.36 2.15 -1.26 -1.33 116.67 125.40 1i1e s ASP 876 Ca -0.00 1.28 0.16 0.00 0.43 0.00 0.00 52.55 54.41 1i1e s ASP 876 Cb -0.06 -2.49 0.48 0.00 -0.30 0.00 0.00 42.92 40.55 1i1e s ASP 876 CO 0.00 -0.47 1.38 0.18 -0.17 0.00 0.00 175.17 176.10 1i1e n LEU 877 N 5.45 3.66 0.24 -1.34 4.77 -0.61 -4.52 117.00 124.65 1i1e n LEU 877 Ca 0.07 -2.84 0.11 0.00 -0.03 0.00 0.00 56.01 53.32 1i1e n LEU 877 Cb 0.48 -0.48 0.56 0.00 -2.33 0.00 0.00 43.42 41.65 1i1e n LEU 877 CO 0.50 0.68 0.86 0.77 -1.33 0.00 0.00 177.39 178.87 1i1e h SER 878 N 1.77 0.00 0.00 -1.43 4.64 -1.88 -3.47 113.55 113.18 1i1e h SER 878 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i1e h SER 878 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1i1e h SER 878 CO 0.18 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1i1e n GLY 879 N -0.17 0.16 0.58 -0.77 0.00 -1.26 -4.94 105.19 98.80 1i1e n GLY 879 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1i1e n GLY 879 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i1e n TYR 880 N -1.94 0.19 -3.18 1.61 4.02 -1.26 -4.82 117.16 111.79 1i1e n TYR 880 Ca 0.00 -0.10 -0.21 0.00 -0.01 0.00 0.00 57.90 57.58 1i1e n TYR 880 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1i1e n TYR 880 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i1e n GLY 881 N 1.16 -0.44 3.77 2.72 0.00 -1.26 -4.74 105.19 106.40 1i1e n GLY 881 Ca 0.17 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1i1e n GLY 881 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1e s ALA 882 N -3.20 3.57 -0.08 4.61 0.00 -1.26 -4.93 121.76 120.47 1i1e s ALA 882 Ca 0.38 1.51 -0.27 0.00 0.00 0.00 0.00 51.96 53.58 1i1e s ALA 882 Cb -0.17 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 1i1e s ALA 882 CO 0.47 -0.96 0.88 0.15 0.00 0.00 0.00 175.76 176.30 1i1e s LYS 883 N -1.90 4.44 -0.27 0.00 -0.14 -1.13 -4.53 119.74 116.22 1i1e s LYS 883 Ca 0.53 1.18 -0.01 0.00 -1.36 0.00 0.00 55.97 56.31 1i1e s LYS 883 Cb -0.45 -3.50 0.04 0.00 -1.68 0.00 0.00 37.83 32.24 1i1e s LYS 883 CO 0.60 -0.14 -0.06 0.08 -0.76 0.00 0.00 175.35 175.07 1i1e s VAL 884 N 1.42 2.74 -0.37 3.17 1.01 -1.26 -1.86 120.40 125.25 1i1e s VAL 884 Ca 0.44 -1.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1i1e s VAL 884 Cb -0.19 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1i1e s VAL 884 CO 0.20 0.07 0.25 -1.61 0.00 0.00 0.00 175.10 174.01 1i1e s GLU 885 N 1.26 3.17 -0.37 2.72 0.41 0.13 -4.97 118.70 121.03 1i1e s GLU 885 Ca -0.03 -0.87 -0.09 0.00 -0.41 0.00 0.00 54.97 53.56 1i1e s GLU 885 Cb -0.18 -3.85 0.04 0.00 -1.78 0.00 0.00 34.13 28.36 1i1e s GLU 885 CO -0.04 -0.61 0.19 0.08 -0.49 0.00 0.00 175.26 174.40 1i1e s VAL 886 N 1.67 4.31 0.71 2.63 1.01 -1.26 -0.48 120.40 128.98 1i1e s VAL 886 Ca 0.05 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1i1e s VAL 886 Cb -0.18 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1i1e s VAL 886 CO 0.09 -0.28 1.06 -0.31 0.00 0.00 0.00 175.10 175.67 1i1e s TYR 887 N 1.49 3.05 0.52 5.22 1.51 -0.77 -4.95 117.35 123.41 1i1e s TYR 887 Ca 0.01 1.43 0.28 0.00 -1.01 0.00 0.00 57.07 57.79 1i1e s TYR 887 Cb -0.20 -2.90 1.40 0.00 -0.11 0.00 0.00 41.96 40.15 1i1e s TYR 887 CO 0.05 -1.31 1.90 0.22 -1.11 0.00 0.00 175.55 175.30 1i1e h ASP 888 N -0.77 0.07 -0.03 2.29 3.58 -1.88 -2.34 116.42 117.35 1i1e h ASP 888 Ca -0.44 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1i1e h ASP 888 Cb 1.21 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1i1e h ASP 888 CO 0.56 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.56 1i1e n GLY 889 N -1.67 -0.87 3.67 -0.78 0.00 0.19 -4.79 105.19 100.94 1i1e n GLY 889 Ca 0.17 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1i1e n GLY 889 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1e s VAL 890 N -1.97 5.02 -0.12 1.61 1.01 -0.88 -4.28 120.40 120.79 1i1e s VAL 890 Ca 0.06 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 1i1e s VAL 890 Cb 0.03 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1i1e s VAL 890 CO 0.05 0.45 0.34 -0.70 0.00 0.00 0.00 175.10 175.24 1i1e s GLU 891 N 0.38 4.18 -0.06 2.72 2.12 -1.16 -4.93 118.70 121.96 1i1e s GLU 891 Ca 0.05 0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.61 1i1e s GLU 891 Cb -0.12 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.89 1i1e s GLU 891 CO -0.01 0.32 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.38 1i1e s LEU 892 N 0.18 1.79 0.22 2.70 1.43 -1.26 -1.24 118.68 122.50 1i1e s LEU 892 Ca 0.19 -0.33 0.10 0.00 -1.03 0.00 0.00 54.13 53.06 1i1e s LEU 892 Cb -0.14 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 1i1e s LEU 892 CO 0.07 0.09 -0.18 0.54 0.23 0.00 0.00 176.35 177.10 1i1e s ASN 893 N 0.36 2.99 0.00 2.29 2.20 -0.99 -5.02 114.94 116.77 1i1e s ASN 893 Ca -0.10 -0.97 0.00 0.00 -0.94 0.00 0.00 52.86 50.85 1i1e s ASN 893 Cb -0.14 -0.20 0.00 0.00 -2.00 0.00 0.00 41.25 38.91 1i1e s ASN 893 CO 0.03 -0.05 0.42 -0.90 -2.94 0.00 0.00 177.10 173.66 1i1e n ASP 894 N -0.25 0.56 -1.01 3.54 5.75 -1.26 -2.12 116.55 121.77 1i1e n ASP 894 Ca -0.09 -1.40 0.08 0.00 -0.01 0.00 0.00 54.79 53.37 1i1e n ASP 894 Cb 0.59 -0.28 0.26 0.00 -1.03 0.00 0.00 41.12 40.66 1i1e n ASP 894 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1i1e n LYS 895 N 0.02 3.20 -2.18 0.11 5.02 -1.26 -4.94 118.16 118.13 1i1e n LYS 895 Ca 0.00 -2.70 -0.20 0.00 -2.02 0.00 0.00 58.31 53.40 1i1e n LYS 895 Cb 0.14 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.36 1i1e n LYS 895 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1i1e n ASN 896 N 0.02 -5.59 -4.81 4.39 3.02 -0.90 -4.99 115.26 106.39 1i1e n ASN 896 Ca 0.20 0.11 -0.36 0.00 -0.03 0.00 0.00 54.58 54.50 1i1e n ASN 896 Cb 0.81 -4.67 -0.07 0.00 -0.61 0.00 0.00 39.78 35.24 1i1e n ASN 896 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1i1e s GLN 897 N -4.66 3.72 -0.01 3.52 -0.21 -1.24 -4.04 119.66 116.74 1i1e s GLN 897 Ca 0.00 -0.18 0.02 0.00 0.02 0.00 0.00 55.36 55.23 1i1e s GLN 897 Cb 0.00 -3.27 -0.00 0.00 1.00 0.00 0.00 33.01 30.74 1i1e s GLN 897 CO 0.00 0.59 -0.08 -0.59 -2.12 0.00 0.00 175.29 173.09 1i1e s PHE 898 N -0.48 0.78 -0.18 0.91 -0.12 -0.38 -2.35 117.98 116.16 1i1e s PHE 898 Ca 0.12 -0.16 -0.04 0.00 -0.05 0.00 0.00 56.93 56.79 1i1e s PHE 898 Cb -0.12 -0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 1i1e s PHE 898 CO 0.02 -0.05 -0.02 0.21 -0.05 0.00 0.00 175.22 175.33 1i1e s LYS 899 N -0.00 3.66 -0.25 1.99 2.20 -0.37 -0.67 119.74 126.29 1i1e s LYS 899 Ca 0.00 -0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 55.02 1i1e s LYS 899 Cb -0.05 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.24 1i1e s LYS 899 CO -0.00 0.14 0.08 -0.51 -0.36 0.00 0.00 175.35 174.70 1i1e s LEU 900 N 0.64 3.51 0.00 5.43 1.43 0.17 -2.96 118.68 126.90 1i1e s LEU 900 Ca -0.01 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1i1e s LEU 900 Cb -0.14 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1i1e s LEU 900 CO 0.02 -0.05 0.10 0.35 0.23 0.00 0.00 176.35 177.00 1i1e n THR 901 N 4.93 0.00 0.66 5.49 -2.24 -1.26 -0.56 114.28 121.30 1i1e n THR 901 Ca -0.16 -0.34 0.13 0.00 -2.27 0.00 0.00 64.05 61.41 1i1e n THR 901 Cb 0.51 -0.65 0.42 0.00 -2.10 0.00 0.00 70.33 68.51 1i1e n THR 901 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1i1e n SER 902 N -2.39 0.74 -4.77 3.42 3.41 -1.19 -4.48 113.62 108.36 1i1e n SER 902 Ca 0.01 0.56 -0.38 0.00 -0.26 0.00 0.00 58.87 58.80 1i1e n SER 902 Cb 0.10 -0.75 -0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1i1e n SER 902 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1i1e s SER 903 N -4.38 6.12 0.44 4.04 0.01 -1.26 -4.93 113.70 113.74 1i1e s SER 903 Ca 0.11 2.51 0.11 0.00 1.31 0.00 0.00 55.95 59.98 1i1e s SER 903 Cb 0.13 -2.62 0.96 0.00 0.21 0.00 0.00 66.02 64.70 1i1e s SER 903 CO 0.59 -0.97 2.03 0.00 0.41 0.00 0.00 173.24 175.31 1i1e h ALA 904 N 2.26 1.72 -0.15 1.44 0.00 -1.96 -2.14 119.26 120.42 1i1e h ALA 904 Ca -0.50 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1i1e h ALA 904 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1i1e h ALA 904 CO 0.61 0.22 0.00 0.27 0.00 0.00 0.00 179.25 180.35 1i1e n ASN 905 N -4.42 1.00 -4.35 0.00 6.94 -1.26 -4.49 115.26 108.69 1i1e n ASN 905 Ca -0.00 -2.03 -0.45 0.00 -0.02 0.00 0.00 54.58 52.08 1i1e n ASN 905 Cb 0.15 -0.17 -0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1i1e n ASN 905 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1i1e s SER 906 N -0.88 7.26 0.18 0.53 0.15 -0.81 0.56 113.70 120.70 1i1e s SER 906 Ca 0.11 -3.48 -0.20 0.00 0.70 0.00 0.00 55.95 53.08 1i1e s SER 906 Cb 0.06 -2.22 0.04 0.00 -1.71 0.00 0.00 66.02 62.19 1i1e s SER 906 CO 0.07 -0.34 0.55 -1.59 1.20 0.00 0.00 173.24 173.13 1i1e s LYS 907 N -0.95 1.35 -0.07 5.44 -2.85 -1.26 -4.48 119.74 116.92 1i1e s LYS 907 Ca 0.30 -0.73 0.01 0.00 -1.00 0.00 0.00 55.97 54.56 1i1e s LYS 907 Cb -0.10 0.55 0.02 0.00 -2.06 0.00 0.00 37.83 36.24 1i1e s LYS 907 CO -0.08 -0.58 -0.08 0.42 0.10 0.00 0.00 175.35 175.14 1i1e s ILE 908 N -3.83 0.84 -0.22 3.79 1.01 -0.42 -1.84 121.20 120.53 1i1e s ILE 908 Ca 0.06 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.36 1i1e s ILE 908 Cb -0.01 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1i1e s ILE 908 CO -0.06 0.31 0.09 -0.60 0.00 0.00 0.00 174.94 174.68 1i1e s ARG 909 N 1.09 3.89 -0.15 2.79 3.52 0.37 -1.21 118.95 129.24 1i1e s ARG 909 Ca -0.07 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 1i1e s ARG 909 Cb -0.14 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1i1e s ARG 909 CO -0.01 0.05 -0.18 0.08 -0.81 0.00 0.00 175.30 174.43 1i1e s VAL 910 N 1.01 1.85 -0.48 7.11 1.01 0.01 -0.70 120.40 130.21 1i1e s VAL 910 Ca 0.05 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1i1e s VAL 910 Cb -0.14 -1.68 0.09 0.00 0.00 0.00 0.00 36.38 34.65 1i1e s VAL 910 CO 0.03 0.51 0.41 -0.89 0.00 0.00 0.00 175.10 175.16 1i1e s THR 911 N 1.22 5.12 0.95 3.92 2.01 -0.78 -0.50 115.64 127.58 1i1e s THR 911 Ca 0.01 -1.21 -0.11 0.00 0.31 0.00 0.00 61.69 60.69 1i1e s THR 911 Cb -0.14 -4.12 0.16 0.00 0.01 0.00 0.00 72.50 68.42 1i1e s THR 911 CO -0.09 -0.65 1.11 -1.10 -0.69 0.00 0.00 174.62 173.20 1i1e s GLN 912 N 1.61 0.76 -0.20 4.92 -0.21 -1.26 -2.82 119.66 122.46 1i1e s GLN 912 Ca 0.04 1.28 -0.29 0.00 0.02 0.00 0.00 55.36 56.41 1i1e s GLN 912 Cb -0.26 -1.72 0.00 0.00 1.00 0.00 0.00 33.01 32.04 1i1e s GLN 912 CO 0.05 -2.72 1.04 1.21 -2.12 0.00 0.00 175.29 172.75 1i1e s ASN 913 N -2.80 7.13 0.10 5.90 3.84 -1.26 -4.91 114.94 122.93 1i1e s ASN 913 Ca 0.66 1.43 0.24 0.00 0.21 0.00 0.00 52.86 55.40 1i1e s ASN 913 Cb -0.22 -2.54 0.93 0.00 -0.55 0.00 0.00 41.25 38.87 1i1e s ASN 913 CO 0.59 -0.62 1.73 0.00 -2.79 0.00 0.00 177.10 176.02 1i1e n GLN 914 N 6.01 0.10 -1.22 0.43 1.13 -1.26 -3.80 117.38 118.76 1i1e n GLN 914 Ca 0.11 0.19 -0.24 0.00 -1.94 0.00 0.00 57.00 55.13 1i1e n GLN 914 Cb 0.47 -1.64 0.18 0.00 0.11 0.00 0.00 30.24 29.36 1i1e n GLN 914 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1i1e n ASN 915 N -1.81 3.77 -4.42 1.08 3.02 -1.26 -4.91 115.26 110.73 1i1e n ASN 915 Ca 0.05 -3.59 -0.34 0.00 -0.03 0.00 0.00 54.58 50.66 1i1e n ASN 915 Cb 0.30 -0.84 -0.13 0.00 -0.61 0.00 0.00 39.78 38.50 1i1e n ASN 915 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i1e s ILE 916 N -3.28 3.64 -0.77 2.41 1.01 -1.25 -4.53 121.20 118.44 1i1e s ILE 916 Ca 0.57 -0.43 -0.25 0.00 0.00 0.00 0.00 60.65 60.53 1i1e s ILE 916 Cb 0.48 -2.62 -0.14 0.00 0.01 0.00 0.00 42.46 40.19 1i1e s ILE 916 CO 0.11 0.46 2.41 -0.38 0.00 0.00 0.00 174.94 177.54 1i1e n ILE 917 N 4.05 -0.01 -0.09 2.92 5.41 -1.26 -4.48 119.36 125.89 1i1e n ILE 917 Ca -0.18 -0.53 -0.15 0.00 1.00 0.00 0.00 62.75 62.90 1i1e n ILE 917 Cb 0.52 -2.00 -0.08 0.00 -0.71 0.00 0.00 39.64 37.36 1i1e n ILE 917 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1i1e n PHE 918 N 17.94 0.00 -1.92 1.39 -0.00 -1.26 -4.73 117.46 128.88 1i1e n PHE 918 Ca 0.47 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.52 1i1e n PHE 918 Cb 0.43 -0.70 -0.03 0.00 -0.00 0.00 0.00 39.48 39.18 1i1e n PHE 918 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1i1e n ASN 919 N -3.24 3.69 0.00 -2.13 6.94 -1.26 -4.70 115.26 114.55 1i1e n ASN 919 Ca -0.34 -2.79 0.09 0.00 -0.02 0.00 0.00 54.58 51.52 1i1e n ASN 919 Cb 0.82 -1.58 0.50 0.00 -2.36 0.00 0.00 39.78 37.16 1i1e n ASN 919 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1i1e n SER 920 N 9.00 0.00 0.00 0.53 3.41 -1.26 -4.86 113.62 120.44 1i1e n SER 920 Ca 0.49 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1i1e n SER 920 Cb 0.43 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1i1e n SER 920 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1i1e n VAL 921 N -1.10 0.00 -1.23 -3.33 0.31 -1.26 -4.81 118.33 106.90 1i1e n VAL 921 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1i1e n VAL 921 Cb 0.09 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1i1e n VAL 921 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1i1e n PHE 922 N -2.75 0.00 -1.18 3.52 -1.74 -1.26 -5.05 117.46 108.99 1i1e n PHE 922 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1i1e n PHE 922 Cb 0.00 0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.02 1i1e n PHE 922 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 1i1e n LEU 923 N 0.00 -1.94 -3.28 5.98 7.94 -1.26 -4.03 117.00 120.42 1i1e n LEU 923 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.74 1i1e n LEU 923 Cb 0.11 -0.97 -0.06 0.00 0.53 0.00 0.00 43.42 43.03 1i1e n LEU 923 CO 0.00 0.00 -0.13 -0.62 -1.11 0.00 0.00 177.39 175.53 1i1e s ASP 924 N 0.00 0.67 0.16 1.96 2.15 -1.25 -3.61 116.67 116.75 1i1e s ASP 924 Ca 0.00 -1.78 -0.20 0.00 0.43 0.00 0.00 52.55 50.99 1i1e s ASP 924 Cb 0.00 0.68 0.05 0.00 -0.30 0.00 0.00 42.92 43.35 1i1e s ASP 924 CO 0.00 -0.21 0.54 0.72 -0.17 0.00 0.00 175.17 176.05 1i1e s PHE 925 N 1.16 -0.38 0.20 -5.34 -0.00 -1.02 -1.77 117.98 110.83 1i1e s PHE 925 Ca 0.21 0.11 0.07 0.00 -0.00 0.00 0.00 56.93 57.32 1i1e s PHE 925 Cb -0.10 0.46 -0.05 0.00 -0.00 0.00 0.00 43.02 43.34 1i1e s PHE 925 CO -0.05 -0.84 -0.14 -1.12 -0.00 0.00 0.00 175.22 173.07 1i1e s SER 926 N -2.79 2.48 -0.02 1.98 0.01 0.81 -1.38 113.70 114.79 1i1e s SER 926 Ca 0.03 -1.03 -0.00 0.00 1.31 0.00 0.00 55.95 56.26 1i1e s SER 926 Cb -0.00 -0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.13 1i1e s SER 926 CO -0.10 -0.20 0.02 -0.69 0.41 0.00 0.00 173.24 172.68 1i1e s VAL 927 N -3.02 0.00 0.04 3.43 1.01 0.05 -1.06 120.40 120.86 1i1e s VAL 927 Ca 0.22 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.44 1i1e s VAL 927 Cb -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1i1e s VAL 927 CO 0.06 0.11 -0.13 -0.94 0.00 0.00 0.00 175.10 174.20 1i1e s SER 928 N 1.14 1.52 -0.17 3.32 1.04 -0.81 -0.60 113.70 119.16 1i1e s SER 928 Ca -0.08 -0.48 -0.32 0.00 0.48 0.00 0.00 55.95 55.55 1i1e s SER 928 Cb -0.13 -0.08 0.14 0.00 0.10 0.00 0.00 66.02 66.05 1i1e s SER 928 CO -0.03 -0.01 1.12 0.72 0.98 0.00 0.00 173.24 176.03 1i1e s PHE 929 N -0.94 -0.21 0.03 5.02 -0.12 -0.73 -1.64 117.98 119.38 1i1e s PHE 929 Ca -0.00 0.24 -0.01 0.00 -0.05 0.00 0.00 56.93 57.10 1i1e s PHE 929 Cb -0.08 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 1i1e s PHE 929 CO 0.01 -0.27 0.17 -1.58 -0.05 0.00 0.00 175.22 173.51 1i1e s TRP 930 N -1.99 3.48 -0.01 3.49 0.52 0.22 -0.48 118.94 124.17 1i1e s TRP 930 Ca 0.06 0.28 -0.11 0.00 0.02 0.00 0.00 56.10 56.35 1i1e s TRP 930 Cb -0.01 -1.78 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 1i1e s TRP 930 CO -0.04 0.61 0.23 -1.50 0.02 0.00 0.00 176.95 176.26 1i1e s ILE 931 N -1.39 0.07 -0.18 2.03 2.07 -0.76 -1.00 121.20 122.04 1i1e s ILE 931 Ca 0.30 -0.56 -0.01 0.00 -1.41 0.00 0.00 60.65 58.97 1i1e s ILE 931 Cb -0.13 -0.52 0.05 0.00 0.13 0.00 0.00 42.46 41.99 1i1e s ILE 931 CO 0.22 -0.31 -0.03 -0.60 -1.91 0.00 0.00 174.94 172.31 1i1e s ARG 932 N -1.31 1.23 -0.34 3.50 3.52 -0.34 -2.19 118.95 123.02 1i1e s ARG 932 Ca -0.14 -0.55 -0.08 0.00 -0.13 0.00 0.00 55.73 54.83 1i1e s ARG 932 Cb -0.06 -2.09 0.03 0.00 -1.56 0.00 0.00 34.95 31.26 1i1e s ARG 932 CO 0.03 -0.51 0.14 0.42 -0.81 0.00 0.00 175.30 174.57 1i1e s ILE 933 N 1.66 4.16 0.74 4.11 1.01 -1.26 -2.16 121.20 129.47 1i1e s ILE 933 Ca -0.01 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 1i1e s ILE 933 Cb -0.16 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1i1e s ILE 933 CO -0.07 -0.13 0.70 -0.81 0.00 0.00 0.00 174.94 174.63 1i1e n PRO 934 N 4.90 0.32 -1.60 2.79 -0.04 -1.26 -1.12 135.00 138.99 1i1e n PRO 934 Ca -0.13 0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.16 1i1e n PRO 934 Cb 0.46 -1.99 0.07 0.00 -0.04 0.00 0.00 33.50 32.00 1i1e n PRO 934 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1i1e s LYS 935 N -3.07 2.52 0.57 0.54 2.20 0.76 -4.66 119.74 118.60 1i1e s LYS 935 Ca 0.68 1.49 -0.18 0.00 -0.36 0.00 0.00 55.97 57.60 1i1e s LYS 935 Cb -0.34 -1.91 -0.05 0.00 -1.51 0.00 0.00 37.83 34.03 1i1e s LYS 935 CO 0.56 -1.49 1.08 1.52 -0.36 0.00 0.00 175.35 176.66 1i1e s TYR 936 N -2.28 2.82 -0.00 4.03 -0.85 -1.26 -4.88 117.35 114.93 1i1e s TYR 936 Ca 0.69 1.54 -0.28 0.00 -0.52 0.00 0.00 57.07 58.50 1i1e s TYR 936 Cb -0.23 -3.13 -0.04 0.00 0.38 0.00 0.00 41.96 38.94 1i1e s TYR 936 CO 0.44 -1.30 0.90 0.15 -1.52 0.00 0.00 175.55 174.22 1i1e s LYS 937 N -3.68 4.54 0.30 -3.49 -0.14 -1.26 -4.85 119.74 111.16 1i1e s LYS 937 Ca 0.68 1.28 0.01 0.00 -1.36 0.00 0.00 55.97 56.58 1i1e s LYS 937 Cb -0.19 -3.44 0.56 0.00 -1.68 0.00 0.00 37.83 33.08 1i1e s LYS 937 CO 0.31 0.03 1.90 -0.91 -0.76 0.00 0.00 175.35 175.92 1i1e h ASN 938 N 6.58 0.88 -0.02 2.83 2.35 -1.95 -0.71 115.58 125.55 1i1e h ASN 938 Ca -0.41 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1i1e h ASN 938 Cb 1.21 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1i1e h ASN 938 CO 0.74 0.55 0.00 -0.90 -1.65 0.00 0.00 177.43 176.17 1i1e n ASP 939 N -4.51 0.18 -1.06 5.81 5.75 -1.26 -3.51 116.55 117.95 1i1e n ASP 939 Ca 0.14 -1.39 0.04 0.00 -0.01 0.00 0.00 54.79 53.58 1i1e n ASP 939 Cb 0.24 -0.01 0.07 0.00 -1.03 0.00 0.00 41.12 40.38 1i1e n ASP 939 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i1e n GLY 940 N 0.86 2.12 0.30 6.12 0.00 -0.31 -4.89 105.19 109.40 1i1e n GLY 940 Ca 0.16 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 1i1e n GLY 940 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i1e h ILE 941 N 5.19 1.06 -0.39 -0.61 6.09 -1.50 -2.64 117.51 124.71 1i1e h ILE 941 Ca -0.13 -0.32 0.08 0.00 -1.37 0.00 0.00 64.86 63.12 1i1e h ILE 941 Cb 1.57 0.05 -0.07 0.00 0.47 0.00 0.00 36.82 38.84 1i1e h ILE 941 CO 0.06 0.17 -0.06 1.56 -3.07 0.00 0.00 178.15 176.81 1i1e h GLN 942 N 0.92 0.04 -0.51 2.19 1.08 -1.90 -1.77 115.11 115.16 1i1e h GLN 942 Ca 0.34 -0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.43 1i1e h GLN 942 Cb 0.12 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 1i1e h GLN 942 CO -0.15 0.02 -0.13 -0.91 -0.95 0.00 0.00 178.83 176.72 1i1e h ASN 943 N 0.04 0.97 -0.44 1.46 2.35 -1.93 -2.43 115.58 115.61 1i1e h ASN 943 Ca 0.19 -0.32 0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1i1e h ASN 943 Cb 0.28 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1i1e h ASN 943 CO -0.37 1.10 0.12 0.22 -1.65 0.00 0.00 177.43 176.84 1i1e h TYR 944 N 0.86 0.20 0.00 1.19 3.20 -1.05 0.14 116.97 121.51 1i1e h TYR 944 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1i1e h TYR 944 Cb 0.68 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1i1e h TYR 944 CO 0.04 0.05 -0.26 0.44 -1.64 0.00 0.00 178.16 176.79 1i1e n ILE 945 N -5.06 0.13 -0.13 1.81 -5.35 -0.72 -1.33 119.36 108.71 1i1e n ILE 945 Ca 0.04 -0.08 -0.18 0.00 -0.27 0.00 0.00 62.75 62.26 1i1e n ILE 945 Cb 0.19 -0.20 -0.12 0.00 -1.74 0.00 0.00 39.64 37.76 1i1e n ILE 945 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1i1e n HIS 946 N -1.70 0.00 -2.97 4.28 -0.00 -0.89 -4.75 115.22 109.20 1i1e n HIS 946 Ca 0.06 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.82 1i1e n HIS 946 Cb 0.37 -1.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.18 1i1e n HIS 946 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1i1e s ASN 947 N -6.47 6.56 0.07 0.26 0.01 0.45 -5.02 114.94 110.79 1i1e s ASN 947 Ca -0.34 0.40 -0.20 0.00 -0.71 0.00 0.00 52.86 52.02 1i1e s ASN 947 Cb 0.09 -2.39 -0.07 0.00 0.41 0.00 0.00 41.25 39.29 1i1e s ASN 947 CO 0.61 -0.69 0.58 -0.70 -1.51 0.00 0.00 177.10 175.39 1i1e s GLU 948 N 3.02 4.23 -0.00 -0.60 2.12 -1.26 -4.27 118.70 121.93 1i1e s GLU 948 Ca 0.31 0.75 0.00 0.00 0.36 0.00 0.00 54.97 56.39 1i1e s GLU 948 Cb -0.14 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.00 1i1e s GLU 948 CO 0.16 0.60 -0.01 1.52 -0.54 0.00 0.00 175.26 176.99 1i1e s TYR 949 N -0.99 0.12 0.51 5.30 -0.85 0.13 -4.33 117.35 117.24 1i1e s TYR 949 Ca 0.29 -0.01 -0.19 0.00 -0.52 0.00 0.00 57.07 56.64 1i1e s TYR 949 Cb -0.19 -0.09 -0.08 0.00 0.38 0.00 0.00 41.96 41.98 1i1e s TYR 949 CO 0.19 -0.01 1.03 0.99 -1.52 0.00 0.00 175.55 176.23 1i1e s THR 950 N 0.06 3.90 0.00 -3.49 2.01 -0.06 0.17 115.64 118.22 1i1e s THR 950 Ca -0.00 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1i1e s THR 950 Cb -0.02 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1i1e s THR 950 CO -0.00 -0.34 0.00 2.30 -0.69 0.00 0.00 174.62 175.89 1i1e n ILE 951 N -1.23 0.00 -3.77 1.82 -5.35 -0.63 -0.85 119.36 109.35 1i1e n ILE 951 Ca 0.09 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.37 1i1e n ILE 951 Cb 0.53 -0.56 -0.17 0.00 -1.74 0.00 0.00 39.64 37.69 1i1e n ILE 951 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1i1e s ILE 952 N -1.59 0.13 -0.07 7.28 1.01 -1.00 -0.22 121.20 126.74 1i1e s ILE 952 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.91 1i1e s ILE 952 Cb 0.00 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.17 1i1e s ILE 952 CO 0.00 0.20 -0.12 0.21 0.00 0.00 0.00 174.94 175.23 1i1e s ASN 953 N 1.80 1.76 -0.36 3.58 3.04 0.42 -1.12 114.94 124.06 1i1e s ASN 953 Ca 0.01 -0.30 0.01 0.00 0.04 0.00 0.00 52.86 52.62 1i1e s ASN 953 Cb -0.12 -0.82 0.12 0.00 -1.54 0.00 0.00 41.25 38.88 1i1e s ASN 953 CO -0.03 0.03 0.16 0.00 -3.04 0.00 0.00 177.10 174.21 1i1e s MET 955 N 1.06 0.92 -0.23 0.00 -1.94 -1.23 -1.02 119.30 116.86 1i1e s MET 955 Ca 0.13 -0.75 -0.03 0.00 -1.71 0.00 0.00 55.69 53.33 1i1e s MET 955 Cb -0.21 -0.92 0.12 0.00 2.01 0.00 0.00 34.83 35.84 1i1e s MET 955 CO -0.13 0.23 0.36 0.21 -0.01 0.00 0.00 175.02 175.67 1i1e s LYS 956 N -1.14 0.32 -0.72 2.03 2.20 0.51 -4.20 119.74 118.74 1i1e s LYS 956 Ca 0.01 0.53 -0.00 0.00 -0.36 0.00 0.00 55.97 56.15 1i1e s LYS 956 Cb -0.08 -0.50 -0.00 0.00 -1.51 0.00 0.00 37.83 35.74 1i1e s LYS 956 CO 0.01 -0.60 0.60 0.09 -0.36 0.00 0.00 175.35 175.09 1i1e n ASN 957 N 5.36 -2.30 -1.72 1.43 3.02 -1.26 -3.11 115.26 116.68 1i1e n ASN 957 Ca -0.04 -0.38 -0.14 0.00 -0.03 0.00 0.00 54.58 53.99 1i1e n ASN 957 Cb 0.50 -3.30 -0.04 0.00 -0.61 0.00 0.00 39.78 36.32 1i1e n ASN 957 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1i1e n ASN 958 N -2.31 -3.83 -4.20 6.41 3.02 -1.26 -4.93 115.26 108.16 1i1e n ASN 958 Ca -0.16 0.28 -0.13 0.00 -0.03 0.00 0.00 54.58 54.54 1i1e n ASN 958 Cb 0.60 -3.45 -0.10 0.00 -0.61 0.00 0.00 39.78 36.22 1i1e n ASN 958 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i1e s SER 959 N -2.13 1.46 0.00 6.41 0.15 -1.18 -4.75 113.70 113.66 1i1e s SER 959 Ca 0.00 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1i1e s SER 959 Cb 0.00 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1i1e s SER 959 CO 0.00 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1i1e n GLY 960 N 0.12 0.88 3.41 9.45 0.00 -0.56 -0.36 105.19 118.13 1i1e n GLY 960 Ca -0.13 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 1i1e n GLY 960 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1i1e s TRP 961 N -3.08 1.90 -0.11 1.61 1.48 -0.18 -1.50 118.94 119.06 1i1e s TRP 961 Ca 0.00 -0.69 -0.15 0.00 -1.06 0.00 0.00 56.10 54.20 1i1e s TRP 961 Cb 0.00 -1.05 0.04 0.00 -1.16 0.00 0.00 33.47 31.29 1i1e s TRP 961 CO 0.00 0.28 0.39 0.21 -4.06 0.00 0.00 176.95 173.77 1i1e s LYS 962 N -3.72 0.54 -0.14 3.25 2.20 -0.17 -1.12 119.74 120.58 1i1e s LYS 962 Ca 0.28 0.34 0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1i1e s LYS 962 Cb 0.03 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.61 1i1e s LYS 962 CO 0.11 -0.10 -0.20 0.42 -0.36 0.00 0.00 175.35 175.22 1i1e s ILE 963 N -0.26 2.25 0.24 5.43 1.01 -0.27 -0.30 121.20 129.29 1i1e s ILE 963 Ca -0.04 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1i1e s ILE 963 Cb -0.03 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1i1e s ILE 963 CO 0.02 0.54 0.16 -0.94 0.00 0.00 0.00 174.94 174.72 1i1e s SER 964 N 0.81 0.72 -0.00 3.58 1.04 0.21 -1.61 113.70 118.46 1i1e s SER 964 Ca -0.07 -1.48 0.01 0.00 0.48 0.00 0.00 55.95 54.89 1i1e s SER 964 Cb -0.15 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 1i1e s SER 964 CO -0.01 -0.88 -0.02 -0.63 0.98 0.00 0.00 173.24 172.68 1i1e s ILE 965 N -3.91 0.16 -0.28 -1.02 1.01 0.13 0.07 121.20 117.36 1i1e s ILE 965 Ca 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.89 1i1e s ILE 965 Cb 0.06 -0.15 0.09 0.00 0.01 0.00 0.00 42.46 42.47 1i1e s ILE 965 CO 0.16 0.02 0.10 -0.60 0.00 0.00 0.00 174.94 174.62 1i1e s ARG 966 N -0.11 0.52 6.68 2.79 3.52 0.23 0.18 118.95 132.75 1i1e s ARG 966 Ca 0.00 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 1i1e s ARG 966 Cb -0.01 -1.75 0.00 0.00 -1.56 0.00 0.00 34.95 31.63 1i1e s ARG 966 CO -0.00 -0.92 0.00 0.41 -0.81 0.00 0.00 175.30 173.98 1i1e n GLY 967 N 5.03 3.48 1.64 8.12 0.00 -0.45 -1.19 105.19 121.82 1i1e n GLY 967 Ca -0.05 0.24 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 1i1e n GLY 967 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i1e n ASN 968 N 8.92 3.80 -3.98 1.61 6.94 -1.26 -4.86 115.26 126.43 1i1e n ASN 968 Ca 0.00 -2.86 -0.22 0.00 -0.02 0.00 0.00 54.58 51.48 1i1e n ASN 968 Cb 0.00 -0.68 -0.16 0.00 -2.36 0.00 0.00 39.78 36.58 1i1e n ASN 968 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1i1e s ARG 969 N -2.18 1.27 -0.13 -3.83 3.52 -0.33 -1.86 118.95 115.41 1i1e s ARG 969 Ca 0.37 -0.30 -0.03 0.00 -0.13 0.00 0.00 55.73 55.64 1i1e s ARG 969 Cb 0.30 -1.12 -0.03 0.00 -1.56 0.00 0.00 34.95 32.54 1i1e s ARG 969 CO 0.09 0.03 -0.03 -1.50 -0.81 0.00 0.00 175.30 173.08 1i1e s ILE 970 N 0.60 4.01 -0.02 4.11 2.07 -0.30 -0.60 121.20 131.07 1i1e s ILE 970 Ca -0.11 -0.33 0.07 0.00 -1.41 0.00 0.00 60.65 58.87 1i1e s ILE 970 Cb -0.14 -2.73 -0.02 0.00 0.13 0.00 0.00 42.46 39.71 1i1e s ILE 970 CO 0.02 0.53 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.72 1i1e s ILE 971 N -0.11 1.84 -0.19 2.00 1.01 0.11 -1.33 121.20 124.53 1i1e s ILE 971 Ca 0.03 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1i1e s ILE 971 Cb -0.13 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1i1e s ILE 971 CO 0.02 0.51 -0.04 0.86 0.00 0.00 0.00 174.94 176.30 1i1e s TRP 972 N -0.55 2.99 -0.05 3.97 -0.11 -0.20 -0.62 118.94 124.36 1i1e s TRP 972 Ca 0.09 -0.56 0.03 0.00 1.22 0.00 0.00 56.10 56.88 1i1e s TRP 972 Cb -0.09 -2.03 0.01 0.00 -1.50 0.00 0.00 33.47 29.86 1i1e s TRP 972 CO -0.01 -0.27 -0.13 0.99 -4.62 0.00 0.00 176.95 172.92 1i1e s THR 973 N 0.89 1.15 -0.04 5.86 2.01 0.59 -2.02 115.64 124.09 1i1e s THR 973 Ca -0.00 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.51 1i1e s THR 973 Cb -0.15 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 1i1e s THR 973 CO 0.01 0.35 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.40 1i1e s LEU 974 N 0.38 2.79 -0.19 4.42 1.43 -0.30 -1.00 118.68 126.21 1i1e s LEU 974 Ca -0.09 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1i1e s LEU 974 Cb -0.13 -1.58 0.06 0.00 0.03 0.00 0.00 46.19 44.57 1i1e s LEU 974 CO 0.03 0.33 0.04 -0.63 0.23 0.00 0.00 176.35 176.35 1i1e s ILE 975 N -0.78 0.43 1.05 -0.59 1.01 -0.56 -2.04 121.20 119.71 1i1e s ILE 975 Ca 0.12 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 60.10 1i1e s ILE 975 Cb -0.11 -0.96 0.23 0.00 0.01 0.00 0.00 42.46 41.63 1i1e s ILE 975 CO 0.02 -0.23 1.25 1.51 0.00 0.00 0.00 174.94 177.49 1i1e s ASP 976 N 1.90 2.33 0.55 3.58 1.47 -0.71 -1.49 116.67 124.30 1i1e s ASP 976 Ca -0.00 0.38 0.24 0.00 1.18 0.00 0.00 52.55 54.35 1i1e s ASP 976 Cb -0.17 -0.48 1.48 0.00 -0.34 0.00 0.00 42.92 43.41 1i1e s ASP 976 CO -0.08 -3.23 2.08 0.16 0.68 0.00 0.00 175.17 174.78 1i1e h ILE 977 N -1.98 0.69 -0.02 2.11 3.07 -1.10 -0.60 117.51 119.67 1i1e h ILE 977 Ca -0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.97 1i1e h ILE 977 Cb 1.25 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1i1e h ILE 977 CO 0.36 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 178.05 1i1e n ASN 978 N -4.17 0.51 0.00 2.16 3.02 -1.26 -4.88 115.26 110.64 1i1e n ASN 978 Ca 0.03 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1i1e n ASN 978 Cb 0.35 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1i1e n ASN 978 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1e n GLY 979 N 1.00 0.50 3.75 7.41 0.00 -0.23 -5.01 105.19 112.60 1i1e n GLY 979 Ca 0.20 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1i1e n GLY 979 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i1e s LYS 980 N -0.24 4.70 0.02 1.61 2.20 -1.26 -4.84 119.74 121.93 1i1e s LYS 980 Ca 0.00 1.65 0.08 0.00 -0.36 0.00 0.00 55.97 57.34 1i1e s LYS 980 Cb 0.00 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1i1e s LYS 980 CO 0.00 0.26 -0.25 0.99 -0.36 0.00 0.00 175.35 175.99 1i1e s THR 981 N -0.76 2.01 -0.00 3.43 2.01 -1.26 -1.74 115.64 119.33 1i1e s THR 981 Ca 0.45 -1.22 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 1i1e s THR 981 Cb -0.29 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1i1e s THR 981 CO 0.35 0.44 0.01 -0.54 -0.69 0.00 0.00 174.62 174.19 1i1e s LYS 982 N -0.93 0.01 0.10 4.92 -0.14 -0.87 -5.01 119.74 117.82 1i1e s LYS 982 Ca 0.10 0.02 0.02 0.00 -1.36 0.00 0.00 55.97 54.75 1i1e s LYS 982 Cb -0.10 0.00 -0.04 0.00 -1.68 0.00 0.00 37.83 36.01 1i1e s LYS 982 CO 0.01 -0.00 -0.08 -1.12 -0.76 0.00 0.00 175.35 173.40 1i1e s SER 983 N 0.02 1.26 0.00 2.83 0.01 -1.26 -1.15 113.70 115.42 1i1e s SER 983 Ca -0.00 -0.95 -0.07 0.00 1.31 0.00 0.00 55.95 56.24 1i1e s SER 983 Cb -0.00 0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.29 1i1e s SER 983 CO -0.00 -0.40 0.12 0.54 0.41 0.00 0.00 173.24 173.92 1i1e s VAL 984 N -3.25 0.09 0.14 3.43 0.11 -0.86 -4.85 120.40 115.21 1i1e s VAL 984 Ca 0.10 -0.71 -0.16 0.00 -2.93 0.00 0.00 61.98 58.28 1i1e s VAL 984 Cb 0.03 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1i1e s VAL 984 CO -0.03 -0.39 0.42 0.72 -3.33 0.00 0.00 175.10 172.49 1i1e s PHE 985 N -1.40 -0.14 -0.12 1.54 -0.12 -1.26 -1.04 117.98 115.44 1i1e s PHE 985 Ca -0.15 -0.18 0.01 0.00 -0.05 0.00 0.00 56.93 56.56 1i1e s PHE 985 Cb -0.08 0.26 0.02 0.00 -0.63 0.00 0.00 43.02 42.59 1i1e s PHE 985 CO 0.01 -0.75 -0.13 0.12 -0.05 0.00 0.00 175.22 174.43 1i1e s PHE 986 N -3.83 1.87 -0.09 3.49 5.36 -0.45 -4.72 117.98 119.62 1i1e s PHE 986 Ca 0.05 -0.93 0.03 0.00 -0.96 0.00 0.00 56.93 55.12 1i1e s PHE 986 Cb 0.01 -1.40 0.01 0.00 -0.34 0.00 0.00 43.02 41.30 1i1e s PHE 986 CO -0.09 -0.52 -0.19 -2.00 -1.46 0.00 0.00 175.22 170.96 1i1e s GLU 987 N 1.24 2.52 0.11 10.12 2.12 -1.26 -1.15 118.70 132.40 1i1e s GLU 987 Ca -0.02 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 54.64 1i1e s GLU 987 Cb -0.14 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 1i1e s GLU 987 CO -0.05 0.08 0.24 1.52 -0.54 0.00 0.00 175.26 176.51 1i1e s TYR 988 N 0.58 3.47 0.29 5.30 -0.85 -0.78 -5.01 117.35 120.36 1i1e s TYR 988 Ca -0.15 0.16 -0.29 0.00 -0.52 0.00 0.00 57.07 56.27 1i1e s TYR 988 Cb -0.17 -1.69 -0.10 0.00 0.38 0.00 0.00 41.96 40.38 1i1e s TYR 988 CO 0.05 0.54 1.30 1.21 -1.52 0.00 0.00 175.55 177.14 1i1e s ASN 989 N -2.92 6.83 -0.22 -0.18 2.47 -1.26 -4.86 114.94 114.79 1i1e s ASN 989 Ca 0.34 2.59 0.13 0.00 0.42 0.00 0.00 52.86 56.34 1i1e s ASN 989 Cb -0.12 -2.64 0.45 0.00 -1.45 0.00 0.00 41.25 37.50 1i1e s ASN 989 CO 0.28 -0.52 1.34 2.30 -3.72 0.00 0.00 177.10 176.78 1i1e n ILE 990 N 1.39 2.30 -0.80 -5.21 -5.35 -1.26 -4.47 119.36 105.95 1i1e n ILE 990 Ca 0.02 -2.61 0.05 0.00 -0.27 0.00 0.00 62.75 59.93 1i1e n ILE 990 Cb 0.42 -0.27 0.07 0.00 -1.74 0.00 0.00 39.64 38.11 1i1e n ILE 990 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1i1e n ARG 991 N -1.07 1.64 -2.96 6.28 1.74 -1.25 -2.60 116.66 118.43 1i1e n ARG 991 Ca 0.24 -1.91 -0.37 0.00 -0.77 0.00 0.00 57.85 55.04 1i1e n ARG 991 Cb 0.85 -1.16 -0.06 0.00 -1.02 0.00 0.00 32.46 31.07 1i1e n ARG 991 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i1e s GLU 992 N -1.75 4.46 0.27 5.56 0.41 -1.16 -4.58 118.70 121.92 1i1e s GLU 992 Ca 0.16 1.10 -0.03 0.00 -0.41 0.00 0.00 54.97 55.79 1i1e s GLU 992 Cb 0.14 -2.99 0.38 0.00 -1.78 0.00 0.00 34.13 29.88 1i1e s GLU 992 CO 0.01 0.42 1.90 -0.44 -0.49 0.00 0.00 175.26 176.67 1i1e h ASP 993 N 3.65 1.06 -2.60 -0.19 3.32 -1.91 -3.34 116.42 116.40 1i1e h ASP 993 Ca -0.47 -0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.21 1i1e h ASP 993 Cb 1.20 -0.23 -0.37 0.00 0.22 0.00 0.00 39.33 40.15 1i1e h ASP 993 CO 0.65 0.70 -0.67 -0.63 -1.72 0.00 0.00 179.24 177.58 1i1e s ILE 994 N -6.04 -0.26 0.22 0.35 -1.09 -1.26 -1.75 121.20 111.36 1i1e s ILE 994 Ca -0.12 -0.25 -0.19 0.00 -2.23 0.00 0.00 60.65 57.85 1i1e s ILE 994 Cb 0.19 -0.74 -0.08 0.00 -1.58 0.00 0.00 42.46 40.26 1i1e s ILE 994 CO 0.81 -0.32 0.71 -0.55 -1.23 0.00 0.00 174.94 174.37 1i1e s SER 995 N 2.27 7.04 0.00 3.58 0.15 -1.26 -4.96 113.70 120.52 1i1e s SER 995 Ca 0.07 1.39 0.19 0.00 0.70 0.00 0.00 55.95 58.29 1i1e s SER 995 Cb -0.16 -2.41 0.54 0.00 -1.71 0.00 0.00 66.02 62.29 1i1e s SER 995 CO -0.17 0.03 1.43 -0.62 1.20 0.00 0.00 173.24 175.12 1i1e n GLU 996 N 0.71 2.04 0.00 5.44 1.02 -1.26 -4.44 120.64 124.15 1i1e n GLU 996 Ca -0.02 -1.59 0.00 0.00 -0.02 0.00 0.00 57.16 55.52 1i1e n GLU 996 Cb 0.51 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1i1e n GLU 996 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1i1e n TYR 997 N 0.80 0.00 -1.52 -0.32 4.02 -1.26 -4.83 117.16 114.04 1i1e n TYR 997 Ca 0.17 0.00 -0.49 0.00 -0.01 0.00 0.00 57.90 57.57 1i1e n TYR 997 Cb 0.42 0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.69 1i1e n TYR 997 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1i1e n ILE 998 N -2.71 0.28 -1.22 -0.72 5.41 -1.26 -1.00 119.36 118.14 1i1e n ILE 998 Ca 0.00 -0.28 -0.08 0.00 1.00 0.00 0.00 62.75 63.40 1i1e n ILE 998 Cb 0.47 -1.87 -0.03 0.00 -0.71 0.00 0.00 39.64 37.50 1i1e n ILE 998 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1i1e n ASN 999 N 9.67 -4.52 -4.34 4.38 4.05 -0.27 -4.84 115.26 119.39 1i1e n ASN 999 Ca 0.36 0.19 -0.31 0.00 0.45 0.00 0.00 54.58 55.26 1i1e n ASN 999 Cb 0.28 -2.69 -0.15 0.00 1.23 0.00 0.00 39.78 38.45 1i1e n ASN 999 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1i1e s ARG 1000N -2.33 2.22 0.27 1.20 0.52 -0.17 -4.78 118.95 115.87 1i1e s ARG 1000Ca 0.00 -0.88 -0.31 0.00 -0.52 0.00 0.00 55.73 54.02 1i1e s ARG 1000Cb 0.00 -2.12 -0.12 0.00 0.52 0.00 0.00 34.95 33.23 1i1e s ARG 1000CO 0.00 0.56 1.57 0.91 0.02 0.00 0.00 175.30 178.35 1i1e n TRP 1001N 2.46 2.66 -3.72 -0.53 7.02 -0.38 -4.63 117.44 120.31 1i1e n TRP 1001Ca -0.16 0.27 -0.13 0.00 -1.02 0.00 0.00 57.50 56.46 1i1e n TRP 1001Cb 0.51 -2.57 -0.07 0.00 -2.42 0.00 0.00 31.31 26.76 1i1e n TRP 1001CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 1i1e s PHE 1002N 0.15 -0.20 -0.08 -5.99 -0.12 -0.93 -4.92 117.98 105.89 1i1e s PHE 1002Ca 0.67 0.19 -0.20 0.00 -0.05 0.00 0.00 56.93 57.54 1i1e s PHE 1002Cb -0.54 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 1i1e s PHE 1002CO 0.46 -0.48 0.56 0.12 -0.05 0.00 0.00 175.22 175.83 1i1e s PHE 1003N -2.03 3.56 0.07 3.49 5.36 -1.26 -1.83 117.98 125.33 1i1e s PHE 1003Ca -0.08 1.05 0.07 0.00 -0.96 0.00 0.00 56.93 57.01 1i1e s PHE 1003Cb -0.02 -2.63 -0.03 0.00 -0.34 0.00 0.00 43.02 39.99 1i1e s PHE 1003CO 0.00 0.18 -0.17 0.08 -1.46 0.00 0.00 175.22 173.85 1i1e s VAL 1004N 0.52 2.86 -0.20 3.12 1.01 0.36 0.06 120.40 128.15 1i1e s VAL 1004Ca 0.30 -1.27 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 1i1e s VAL 1004Cb -0.16 -2.25 0.08 0.00 0.00 0.00 0.00 36.38 34.05 1i1e s VAL 1004CO 0.14 0.26 0.44 -0.89 0.00 0.00 0.00 175.10 175.04 1i1e s THR 1005N -1.01 -0.42 -0.11 3.92 2.01 -0.59 -1.77 115.64 117.67 1i1e s THR 1005Ca 0.16 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.31 1i1e s THR 1005Cb -0.11 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1i1e s THR 1005CO 0.07 0.05 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.23 1i1e s ILE 1006N 2.17 2.50 0.10 1.82 1.01 0.23 0.87 121.20 129.91 1i1e s ILE 1006Ca -0.05 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.83 1i1e s ILE 1006Cb -0.10 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1i1e s ILE 1006CO -0.13 0.54 -0.23 0.42 0.00 0.00 0.00 174.94 175.54 1i1e s THR 1007N 0.35 1.92 -0.06 2.92 -4.23 -0.20 -0.77 115.64 115.57 1i1e s THR 1007Ca -0.15 -1.55 -0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1i1e s THR 1007Cb -0.17 -1.71 0.03 0.00 1.34 0.00 0.00 72.50 71.99 1i1e s THR 1007CO 0.07 0.07 -0.02 0.20 -0.54 0.00 0.00 174.62 174.40 1i1e s ASN 1008N -1.79 1.36 0.40 3.99 0.01 -0.48 -1.30 114.94 117.13 1i1e s ASN 1008Ca 0.09 -0.12 0.04 0.00 -0.71 0.00 0.00 52.86 52.16 1i1e s ASN 1008Cb -0.10 -0.48 -0.03 0.00 0.41 0.00 0.00 41.25 41.06 1i1e s ASN 1008CO 0.04 -0.13 0.14 0.54 -1.51 0.00 0.00 177.10 176.18 1i1e s ASN 1009N 1.50 2.66 0.47 -1.22 2.20 -0.58 -2.45 114.94 117.52 1i1e s ASN 1009Ca -0.02 -1.66 0.24 0.00 -0.94 0.00 0.00 52.86 50.48 1i1e s ASN 1009Cb -0.13 0.48 1.27 0.00 -2.00 0.00 0.00 41.25 40.87 1i1e s ASN 1009CO -0.03 -0.92 1.86 0.17 -2.94 0.00 0.00 177.10 175.23 1i1e h LEU 1010N 1.84 0.22 0.00 3.54 8.10 -1.70 -3.19 115.31 124.12 1i1e h LEU 1010Ca -0.35 0.03 -0.41 0.00 0.11 0.00 0.00 57.88 57.26 1i1e h LEU 1010Cb 1.27 -0.01 -0.07 0.00 -0.44 0.00 0.00 40.66 41.41 1i1e h LEU 1010CO 0.56 0.08 -2.48 0.59 -4.11 0.00 0.00 178.44 173.08 1i1e n ASN 1011N -4.41 1.99 -4.43 0.17 3.02 -1.26 -4.17 115.26 106.16 1i1e n ASN 1011Ca 0.20 -0.01 -0.22 0.00 -0.03 0.00 0.00 54.58 54.52 1i1e n ASN 1011Cb 0.84 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 39.40 1i1e n ASN 1011CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1i1e s ASN 1012N -6.75 3.11 -0.20 6.41 0.01 -1.21 0.14 114.94 116.45 1i1e s ASN 1012Ca -0.36 -1.08 0.01 0.00 -0.71 0.00 0.00 52.86 50.72 1i1e s ASN 1012Cb 0.10 -0.23 0.04 0.00 0.41 0.00 0.00 41.25 41.58 1i1e s ASN 1012CO 0.56 -0.14 -0.10 0.00 -1.51 0.00 0.00 177.10 175.91 1i1e s ALA 1013N -2.78 2.02 0.03 0.60 0.00 -0.49 -1.52 121.76 119.62 1i1e s ALA 1013Ca 0.28 -1.23 0.09 0.00 0.00 0.00 0.00 51.96 51.10 1i1e s ALA 1013Cb -0.01 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 1i1e s ALA 1013CO 0.12 -0.84 -0.25 0.15 0.00 0.00 0.00 175.76 174.94 1i1e s LYS 1014N 1.39 1.92 -0.12 0.00 1.02 -0.42 -1.42 119.74 122.10 1i1e s LYS 1014Ca -0.02 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 54.95 1i1e s LYS 1014Cb -0.16 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1i1e s LYS 1014CO -0.08 0.53 -0.19 0.42 -0.92 0.00 0.00 175.35 175.11 1i1e s ILE 1015N -0.76 2.51 -0.01 2.17 1.01 -0.78 -1.03 121.20 124.31 1i1e s ILE 1015Ca 0.12 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1i1e s ILE 1015Cb -0.10 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1i1e s ILE 1015CO 0.01 0.54 -0.12 -0.31 0.00 0.00 0.00 174.94 175.07 1i1e s TYR 1016N 0.39 2.76 -0.12 3.97 1.51 0.25 -1.03 117.35 125.07 1i1e s TYR 1016Ca -0.14 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1i1e s TYR 1016Cb -0.17 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1i1e s TYR 1016CO 0.07 0.29 -0.13 0.42 -1.11 0.00 0.00 175.55 175.09 1i1e s ILE 1017N -0.89 1.39 -1.54 2.71 -1.09 -0.22 -1.54 121.20 120.02 1i1e s ILE 1017Ca 0.15 -0.54 -0.14 0.00 -2.23 0.00 0.00 60.65 57.89 1i1e s ILE 1017Cb -0.11 -1.32 0.09 0.00 -1.58 0.00 0.00 42.46 39.55 1i1e s ILE 1017CO 0.05 0.43 0.95 0.59 -1.23 0.00 0.00 174.94 175.72 1i1e n ASN 1018N 4.61 -4.46 0.00 3.58 3.02 0.11 -1.58 115.26 120.55 1i1e n ASN 1018Ca -0.17 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1i1e n ASN 1018Cb 0.50 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1i1e n ASN 1018CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1e n GLY 1019N -1.66 2.95 3.79 7.41 0.00 -1.26 -4.99 105.19 111.42 1i1e n GLY 1019Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1i1e n GLY 1019CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i1e s LYS 1020N -0.26 3.94 0.17 1.61 2.20 -0.61 -4.49 119.74 122.30 1i1e s LYS 1020Ca 0.00 -0.08 -0.32 0.00 -0.36 0.00 0.00 55.97 55.22 1i1e s LYS 1020Cb 0.00 -3.33 -0.10 0.00 -1.51 0.00 0.00 37.83 32.89 1i1e s LYS 1020CO 0.00 0.47 1.60 -1.17 -0.36 0.00 0.00 175.35 175.89 1i1e s LEU 1021N -0.18 4.37 -0.05 5.43 2.96 -1.26 -1.05 118.68 128.90 1i1e s LEU 1021Ca 0.13 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.71 1i1e s LEU 1021Cb -0.12 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1i1e s LEU 1021CO 0.02 -0.85 -0.04 -0.62 -1.32 0.00 0.00 176.35 173.54 1i1e n GLU 1022N 3.95 0.22 -4.06 1.98 -0.58 -0.20 -4.90 120.64 117.04 1i1e n GLU 1022Ca 0.14 0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.82 1i1e n GLU 1022Cb 0.38 -1.09 -0.10 0.00 -0.57 0.00 0.00 31.44 30.05 1i1e n GLU 1022CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1i1e s SER 1023N -4.41 0.49 0.00 1.62 0.01 -1.09 -5.01 113.70 105.31 1i1e s SER 1023Ca -0.06 -0.83 -0.05 0.00 1.31 0.00 0.00 55.95 56.32 1i1e s SER 1023Cb 0.02 0.15 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 1i1e s SER 1023CO 0.11 -0.48 0.08 0.21 0.41 0.00 0.00 173.24 173.57 1i1e s ASN 1024N -2.43 0.07 -0.10 2.44 3.84 -1.26 -1.87 114.94 115.63 1i1e s ASN 1024Ca -0.00 -0.23 -0.05 0.00 0.21 0.00 0.00 52.86 52.78 1i1e s ASN 1024Cb 0.01 0.18 0.04 0.00 -0.55 0.00 0.00 41.25 40.94 1i1e s ASN 1024CO -0.06 -0.30 0.24 -0.89 -2.79 0.00 0.00 177.10 173.29 1i1e s THR 1025N -1.20 -0.04 -0.15 -5.21 2.01 -0.51 -4.98 115.64 105.56 1i1e s THR 1025Ca -0.13 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 1i1e s THR 1025Cb -0.07 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1i1e s THR 1025CO 0.01 0.06 1.22 -0.62 -0.69 0.00 0.00 174.62 174.59 1i1e s ASP 1026N 1.18 6.99 -0.28 3.53 -1.08 -1.26 -1.39 116.67 124.36 1i1e s ASP 1026Ca -0.09 1.67 0.08 0.00 -0.52 0.00 0.00 52.55 53.69 1i1e s ASP 1026Cb -0.10 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.27 1i1e s ASP 1026CO -0.08 -0.71 1.26 2.30 0.52 0.00 0.00 175.17 178.46 1i1e n ILE 1027N 5.22 2.46 -0.10 4.11 -5.35 0.38 -4.82 119.36 121.27 1i1e n ILE 1027Ca 0.13 -3.68 -0.09 0.00 -0.27 0.00 0.00 62.75 58.84 1i1e n ILE 1027Cb 0.45 -0.74 -0.02 0.00 -1.74 0.00 0.00 39.64 37.60 1i1e n ILE 1027CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1i1e h LYS 1028N 1.63 0.45 -0.63 6.28 1.57 -1.72 -3.15 116.57 121.01 1i1e h LYS 1028Ca 0.23 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1i1e h LYS 1028Cb 1.33 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1i1e h LYS 1028CO 0.48 0.38 0.27 -0.44 -0.57 0.00 0.00 179.45 179.58 1i1e h ASP 1029N 0.40 0.85 -1.24 0.86 3.32 -1.91 -3.44 116.42 115.26 1i1e h ASP 1029Ca 0.11 -0.16 -0.77 0.00 0.02 0.00 0.00 57.03 56.23 1i1e h ASP 1029Cb 0.07 -0.22 0.04 0.00 0.22 0.00 0.00 39.33 39.44 1i1e h ASP 1029CO -0.02 0.78 0.39 -0.38 -1.72 0.00 0.00 179.24 178.29 1i1e n ILE 1030N -4.46 0.04 0.00 0.35 2.08 -1.19 -4.95 119.36 111.23 1i1e n ILE 1030Ca 0.04 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1i1e n ILE 1030Cb 0.16 -0.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.59 1i1e n ILE 1030CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1i1e n ARG 1031N 2.74 0.00 -2.55 0.38 5.12 -1.26 -5.01 116.66 116.08 1i1e n ARG 1031Ca 0.23 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.73 1i1e n ARG 1031Cb 0.09 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.35 1i1e n ARG 1031CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1i1e s GLU 1032N 2.02 4.59 -0.16 5.56 2.12 -1.26 -4.90 118.70 126.66 1i1e s GLU 1032Ca 0.00 1.66 0.01 0.00 0.36 0.00 0.00 54.97 56.99 1i1e s GLU 1032Cb 0.00 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 31.10 1i1e s GLU 1032CO 0.00 0.05 -0.14 0.08 -0.54 0.00 0.00 175.26 174.71 1i1e s VAL 1033N 0.03 1.66 -0.56 3.70 1.01 -1.26 -0.46 120.40 124.52 1i1e s VAL 1033Ca 0.50 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 1i1e s VAL 1033Cb -0.28 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1i1e s VAL 1033CO 0.33 0.41 1.02 -0.63 0.00 0.00 0.00 175.10 176.23 1i1e s ILE 1034N 1.44 4.27 -1.44 2.22 1.01 -1.26 -4.89 121.20 122.54 1i1e s ILE 1034Ca 0.04 0.46 0.15 0.00 0.00 0.00 0.00 60.65 61.30 1i1e s ILE 1034Cb -0.14 -4.60 0.35 0.00 0.01 0.00 0.00 42.46 38.08 1i1e s ILE 1034CO -0.11 -1.20 1.27 0.00 0.00 0.00 0.00 174.94 174.91 1i1e n ALA 1035N 7.78 2.30 -0.79 9.38 0.00 -1.26 -3.55 120.51 134.38 1i1e n ALA 1035Ca 0.04 -1.06 0.08 0.00 0.00 0.00 0.00 53.44 52.50 1i1e n ALA 1035Cb 0.48 -0.59 0.37 0.00 0.00 0.00 0.00 19.45 19.72 1i1e n ALA 1035CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1i1e n ASN 1036N 0.90 5.16 -4.01 0.00 0.23 -1.26 -4.96 115.26 111.33 1i1e n ASN 1036Ca 0.14 -2.73 -0.30 0.00 -0.53 0.00 0.00 54.58 51.17 1i1e n ASN 1036Cb 0.47 -0.62 0.21 0.00 -2.08 0.00 0.00 39.78 37.75 1i1e n ASN 1036CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1i1e s GLY 1037N -0.94 1.68 0.36 4.83 0.00 -1.26 -4.51 107.32 107.47 1i1e s GLY 1037Ca 0.52 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 43.91 1i1e s GLY 1037CO 0.19 -0.24 1.33 1.85 0.00 0.00 0.00 173.10 176.24 1i1e s GLU 1038N -5.63 4.21 -0.23 2.90 2.12 -1.26 -4.43 118.70 116.37 1i1e s GLU 1038Ca 0.72 2.25 -0.07 0.00 0.36 0.00 0.00 54.97 58.24 1i1e s GLU 1038Cb -0.07 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1i1e s GLU 1038CO 0.54 -0.33 0.05 0.42 -0.54 0.00 0.00 175.26 175.41 1i1e s ILE 1039N -1.17 4.23 -0.26 -3.70 1.01 0.35 -3.56 121.20 118.09 1i1e s ILE 1039Ca 0.52 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 1i1e s ILE 1039Cb -0.40 -2.96 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 1i1e s ILE 1039CO 0.53 0.37 0.03 -0.63 0.00 0.00 0.00 174.94 175.24 1i1e s ILE 1040N 1.38 3.74 -0.38 2.92 -1.09 0.17 -0.81 121.20 127.13 1i1e s ILE 1040Ca 0.05 -0.56 -0.16 0.00 -2.23 0.00 0.00 60.65 57.75 1i1e s ILE 1040Cb -0.15 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1i1e s ILE 1040CO 0.03 0.25 0.38 -0.36 -1.23 0.00 0.00 174.94 174.00 1i1e s PHE 1041N 1.50 3.20 -0.29 3.97 0.40 -0.35 -0.44 117.98 125.98 1i1e s PHE 1041Ca 0.04 -0.23 -0.25 0.00 -0.60 0.00 0.00 56.93 55.88 1i1e s PHE 1041Cb -0.16 -2.74 0.17 0.00 0.51 0.00 0.00 43.02 40.80 1i1e s PHE 1041CO 0.00 -0.55 1.28 0.21 0.70 0.00 0.00 175.22 176.86 1i1e s LYS 1042N 2.01 0.23 -0.28 0.44 2.20 0.69 -1.30 119.74 123.73 1i1e s LYS 1042Ca 0.11 0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.67 1i1e s LYS 1042Cb -0.17 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 1i1e s LYS 1042CO 0.12 -0.03 1.24 -0.51 -0.36 0.00 0.00 175.35 175.81 1i1e s LEU 1043N -0.02 3.94 -0.22 5.43 1.43 -1.26 -3.67 118.68 124.31 1i1e s LEU 1043Ca 0.06 1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1i1e s LEU 1043Cb -0.05 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.70 1i1e s LEU 1043CO -0.11 -0.99 0.04 -0.62 0.23 0.00 0.00 176.35 174.90 1i1e s ASP 1044N 2.40 3.19 0.00 2.29 2.15 -0.03 -4.98 116.67 121.70 1i1e s ASP 1044Ca 0.53 -0.99 0.00 0.00 0.43 0.00 0.00 52.55 52.53 1i1e s ASP 1044Cb -0.16 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.77 1i1e s ASP 1044CO 0.20 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 1i1e n GLY 1045N 4.99 -1.30 3.49 2.66 0.00 -1.26 -0.89 105.19 112.88 1i1e n GLY 1045Ca -0.08 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 1i1e n GLY 1045CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i1e n ASP 1046N 2.33 5.07 -4.93 1.61 2.03 -1.26 -4.96 116.55 116.43 1i1e n ASP 1046Ca 0.00 -2.95 -0.21 0.00 0.52 0.00 0.00 54.79 52.14 1i1e n ASP 1046Cb 0.00 -1.65 -0.03 0.00 -0.72 0.00 0.00 41.12 38.72 1i1e n ASP 1046CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1i1e s ILE 1047N 2.78 5.05 0.44 5.18 -4.36 -1.26 -4.83 121.20 124.20 1i1e s ILE 1047Ca 0.48 -1.09 -0.21 0.00 -0.26 0.00 0.00 60.65 59.57 1i1e s ILE 1047Cb 0.01 -3.74 -0.11 0.00 1.25 0.00 0.00 42.46 39.87 1i1e s ILE 1047CO 0.04 -0.33 0.96 -0.62 0.24 0.00 0.00 174.94 175.23 1i1e s ASP 1048N -3.93 6.86 0.50 4.36 -1.08 -1.26 -4.94 116.67 117.18 1i1e s ASP 1048Ca 0.34 1.71 0.20 0.00 -0.52 0.00 0.00 52.55 54.28 1i1e s ASP 1048Cb -0.09 -2.54 1.27 0.00 -1.46 0.00 0.00 42.92 40.10 1i1e s ASP 1048CO 0.28 -0.41 2.02 0.08 0.52 0.00 0.00 175.17 177.66 1i1e h ARG 1049N 1.83 0.11 0.00 4.34 0.11 -1.99 -1.05 114.38 117.73 1i1e h ARG 1049Ca -0.49 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1i1e h ARG 1049Cb 1.18 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1i1e h ARG 1049CO 0.61 0.07 -0.06 0.25 0.10 0.00 0.00 179.97 180.94 1i1e n THR 1050N -4.44 0.04 -1.82 0.08 -2.24 -1.26 -4.41 114.28 100.24 1i1e n THR 1050Ca 0.07 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 1i1e n THR 1050Cb 0.44 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 1i1e n THR 1050CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1i1e s GLN 1051N -3.01 4.17 0.27 -0.78 2.00 -0.40 -4.95 119.66 116.96 1i1e s GLN 1051Ca 0.13 2.46 0.01 0.00 -2.00 0.00 0.00 55.36 55.97 1i1e s GLN 1051Cb 0.18 -3.55 -0.03 0.00 0.80 0.00 0.00 33.01 30.42 1i1e s GLN 1051CO 0.56 -0.78 0.26 -0.59 -0.50 0.00 0.00 175.29 174.24 1i1e s PHE 1052N 2.53 1.31 -0.19 1.67 -0.12 -1.26 -3.16 117.98 118.77 1i1e s PHE 1052Ca 0.77 -1.42 -0.16 0.00 -0.05 0.00 0.00 56.93 56.06 1i1e s PHE 1052Cb -0.43 -0.49 0.05 0.00 -0.63 0.00 0.00 43.02 41.52 1i1e s PHE 1052CO 0.34 -0.83 0.49 0.42 -0.05 0.00 0.00 175.22 175.60 1i1e s ILE 1053N -3.72 -0.00 0.00 -4.49 -1.09 0.27 -4.46 121.20 107.71 1i1e s ILE 1053Ca 0.37 0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.83 1i1e s ILE 1053Cb 0.04 -0.70 -0.03 0.00 -1.58 0.00 0.00 42.46 40.18 1i1e s ILE 1053CO 0.19 0.01 -0.04 0.26 -1.23 0.00 0.00 174.94 174.13 1i1e s TRP 1054N 0.48 2.96 0.06 3.97 0.52 -0.92 0.42 118.94 126.43 1i1e s TRP 1054Ca -0.02 0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.09 1i1e s TRP 1054Cb -0.04 -1.63 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1i1e s TRP 1054CO -0.02 0.41 0.00 1.41 0.02 0.00 0.00 176.95 178.77 1i1e s MET 1055N -1.49 0.65 -0.13 4.98 1.75 0.16 -1.19 119.30 124.02 1i1e s MET 1055Ca 0.18 -1.19 -0.26 0.00 -1.25 0.00 0.00 55.69 53.17 1i1e s MET 1055Cb -0.11 0.23 0.06 0.00 2.84 0.00 0.00 34.83 37.85 1i1e s MET 1055CO 0.09 -0.13 0.64 0.21 -0.65 0.00 0.00 175.02 175.18 1i1e s LYS 1056N -3.92 0.91 -1.29 4.11 2.20 -0.17 -1.24 119.74 120.34 1i1e s LYS 1056Ca 0.07 0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 56.17 1i1e s LYS 1056Cb 0.08 0.43 -0.00 0.00 -1.51 0.00 0.00 37.83 36.82 1i1e s LYS 1056CO -0.10 -0.22 0.69 0.66 -0.36 0.00 0.00 175.35 176.03 1i1e n TYR 1057N 1.72 -1.91 -2.56 4.03 0.53 -1.26 -0.61 117.16 117.09 1i1e n TYR 1057Ca -0.17 0.81 -0.43 0.00 -1.02 0.00 0.00 57.90 57.09 1i1e n TYR 1057Cb 0.56 -4.28 -0.02 0.00 -1.03 0.00 0.00 39.34 34.57 1i1e n TYR 1057CO 0.00 0.00 0.00 0.12 -1.02 0.00 0.00 176.86 175.96 1i1e s PHE 1058N -3.67 3.23 0.10 -0.72 5.36 -1.26 -4.17 117.98 116.85 1i1e s PHE 1058Ca 0.05 1.33 -0.05 0.00 -0.96 0.00 0.00 56.93 57.30 1i1e s PHE 1058Cb -0.01 -3.34 -0.02 0.00 -0.34 0.00 0.00 43.02 39.30 1i1e s PHE 1058CO 0.82 -0.90 0.10 -1.54 -1.46 0.00 0.00 175.22 172.24 1i1e s SER 1059N 1.42 0.27 0.00 6.13 1.04 -0.65 -1.37 113.70 120.55 1i1e s SER 1059Ca 0.50 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 56.05 1i1e s SER 1059Cb -0.20 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 1i1e s SER 1059CO 0.15 -0.71 -0.09 -0.63 0.98 0.00 0.00 173.24 172.94 1i1e s ILE 1060N -3.93 0.67 -0.02 -1.02 1.01 0.82 -1.91 121.20 116.81 1i1e s ILE 1060Ca 0.11 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.34 1i1e s ILE 1060Cb 0.06 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 1i1e s ILE 1060CO -0.07 0.09 -0.25 -0.36 0.00 0.00 0.00 174.94 174.36 1i1e s PHE 1061N -0.40 2.23 -0.24 3.97 0.40 -0.22 -0.41 117.98 123.32 1i1e s PHE 1061Ca 0.01 -0.45 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1i1e s PHE 1061Cb -0.04 -1.44 0.18 0.00 0.51 0.00 0.00 43.02 42.22 1i1e s PHE 1061CO -0.00 -0.06 1.92 0.27 0.70 0.00 0.00 175.22 178.05 1i1e n ASN 1062N 2.52 5.82 -3.49 1.36 0.23 -0.00 -0.14 115.26 121.57 1i1e n ASN 1062Ca -0.16 -2.88 -0.10 0.00 -0.53 0.00 0.00 54.58 50.91 1i1e n ASN 1062Cb 0.51 -1.01 -0.02 0.00 -2.08 0.00 0.00 39.78 37.18 1i1e n ASN 1062CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1i1e s THR 1063N -1.72 0.00 -0.07 5.53 -1.32 -0.73 -4.59 115.64 112.74 1i1e s THR 1063Ca 0.24 -0.09 -0.29 0.00 -1.21 0.00 0.00 61.69 60.34 1i1e s THR 1063Cb 0.19 -1.10 -0.02 0.00 -1.51 0.00 0.00 72.50 70.06 1i1e s THR 1063CO 0.00 0.00 0.95 -0.70 -2.21 0.00 0.00 174.62 172.66 1i1e s GLU 1064N -3.55 4.46 0.33 7.08 2.12 -1.26 -1.93 118.70 125.95 1i1e s GLU 1064Ca 0.03 1.32 -0.20 0.00 0.36 0.00 0.00 54.97 56.48 1i1e s GLU 1064Cb -0.01 -3.51 -0.10 0.00 0.26 0.00 0.00 34.13 30.77 1i1e s GLU 1064CO -0.10 -0.19 0.84 -0.51 -0.54 0.00 0.00 175.26 174.77 1i1e s LEU 1065N 1.55 4.16 0.49 2.70 1.43 -1.26 -5.00 118.68 122.74 1i1e s LEU 1065Ca 0.48 1.55 -0.04 0.00 -1.03 0.00 0.00 54.13 55.09 1i1e s LEU 1065Cb -0.19 -4.07 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 1i1e s LEU 1065CO 0.21 -0.16 0.77 -0.94 0.23 0.00 0.00 176.35 176.46 1i1e s SER 1066N -1.95 6.02 0.49 2.29 1.04 -1.26 -4.93 113.70 115.41 1i1e s SER 1066Ca 0.53 0.71 0.23 0.00 0.48 0.00 0.00 55.95 57.90 1i1e s SER 1066Cb -0.13 -1.96 1.29 0.00 0.10 0.00 0.00 66.02 65.32 1i1e s SER 1066CO 0.18 -0.69 1.94 -0.61 0.98 0.00 0.00 173.24 175.05 1i1e h GLN 1067N 0.21 0.15 -0.12 4.02 -0.00 -1.97 -1.31 115.11 116.10 1i1e h GLN 1067Ca -0.47 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.09 1i1e h GLN 1067Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.68 1i1e h GLN 1067CO 0.61 0.10 -0.24 1.03 0.00 0.00 0.00 178.83 180.32 1i1e h SER 1068N 0.15 0.41 -0.71 -0.69 0.87 -1.93 -1.58 113.55 110.07 1i1e h SER 1068Ca 0.34 -0.56 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1i1e h SER 1068Cb 1.12 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 1i1e h SER 1068CO -0.05 0.90 0.47 0.78 -0.53 0.00 0.00 176.83 178.40 1i1e h ASN 1069N -0.06 0.79 -0.05 6.23 2.35 -1.63 -1.68 115.58 121.53 1i1e h ASN 1069Ca 0.00 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1i1e h ASN 1069Cb 0.83 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1i1e h ASN 1069CO 0.05 0.56 -0.14 0.40 -1.65 0.00 0.00 177.43 176.66 1i1e h ILE 1070N 0.93 1.44 -1.00 2.81 2.04 -1.39 -1.34 117.51 120.99 1i1e h ILE 1070Ca 0.27 -1.50 0.07 0.00 1.00 0.00 0.00 64.86 64.70 1i1e h ILE 1070Cb -0.05 2.30 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 1i1e h ILE 1070CO -0.07 0.42 0.64 -0.08 0.00 0.00 0.00 178.15 179.06 1i1e h GLU 1071N -0.34 1.11 -0.49 2.37 4.57 -1.11 0.07 114.58 120.77 1i1e h GLU 1071Ca -0.00 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 57.99 1i1e h GLU 1071Cb 0.74 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1i1e h GLU 1071CO 0.03 0.74 -0.19 1.49 -1.18 0.00 0.00 179.01 179.90 1i1e h GLU 1072N 1.15 0.97 -0.56 1.92 4.81 -1.23 -1.78 114.58 119.85 1i1e h GLU 1072Ca 0.44 -0.39 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1i1e h GLU 1072Cb 0.22 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1i1e h GLU 1072CO -0.19 1.06 -0.09 -0.09 -0.73 0.00 0.00 179.01 178.98 1i1e h ARG 1073N 0.84 1.05 -0.03 1.92 2.43 -0.48 0.29 114.38 120.40 1i1e h ARG 1073Ca 0.12 -0.38 0.02 0.00 -0.81 0.00 0.00 59.98 58.93 1i1e h ARG 1073Cb 0.75 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1i1e h ARG 1073CO 0.06 1.07 -0.12 -0.92 -1.51 0.00 0.00 179.97 178.55 1i1e h TYR 1074N 0.93 -0.32 -0.78 2.20 3.20 -0.80 0.13 116.97 121.53 1i1e h TYR 1074Ca 0.15 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1i1e h TYR 1074Cb 0.66 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 1i1e h TYR 1074CO 0.04 -0.19 0.38 0.87 -1.64 0.00 0.00 178.16 177.63 1i1e h LYS 1075N -0.20 1.12 -0.28 1.82 1.57 -1.09 -0.94 116.57 118.57 1i1e h LYS 1075Ca 0.05 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1i1e h LYS 1075Cb 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1i1e h LYS 1075CO -0.14 0.87 0.03 0.82 -0.57 0.00 0.00 179.45 180.45 1i1e h ILE 1076N 1.10 1.24 0.00 1.86 2.04 -0.42 -2.76 117.51 120.58 1i1e h ILE 1076Ca 0.27 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1i1e h ILE 1076Cb 0.11 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1i1e h ILE 1076CO -0.03 0.27 0.00 1.56 0.00 0.00 0.00 178.15 179.95 1i1e h GLN 1077N 0.29 0.00 0.00 2.37 4.20 -0.67 -3.11 115.11 118.19 1i1e h GLN 1077Ca 0.08 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1i1e h GLN 1077Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1i1e h GLN 1077CO 0.01 0.00 -0.50 0.77 -0.67 0.00 0.00 178.83 178.44 1i1e h SER 1078N 0.00 0.00 -3.79 1.46 0.02 -1.04 -3.47 113.55 106.72 1i1e h SER 1078Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1i1e h SER 1078Cb 0.71 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.33 1i1e h SER 1078CO 0.00 0.37 0.72 -0.47 -1.14 0.00 0.00 176.83 176.30 1i1e s TYR 1079N -3.04 2.87 -0.02 3.45 5.04 -1.05 -4.99 117.35 119.61 1i1e s TYR 1079Ca 0.04 1.24 -0.29 0.00 -2.44 0.00 0.00 57.07 55.62 1i1e s TYR 1079Cb 0.07 -3.84 0.09 0.00 0.35 0.00 0.00 41.96 38.63 1i1e s TYR 1079CO 0.74 -2.46 0.78 -1.54 -1.34 0.00 0.00 175.55 171.72 1i1e s SER 1080N -0.18 -0.52 0.17 4.32 1.04 -1.26 -5.04 113.70 112.23 1i1e s SER 1080Ca 0.53 0.35 0.09 0.00 0.48 0.00 0.00 55.95 57.39 1i1e s SER 1080Cb -0.43 0.47 -0.06 0.00 0.10 0.00 0.00 66.02 66.10 1i1e s SER 1080CO 0.55 -0.63 1.36 -0.33 0.98 0.00 0.00 173.24 175.17 1i1e h GLU 1081N 2.48 0.00 -6.87 4.02 4.39 -1.96 -3.45 114.58 113.18 1i1e h GLU 1081Ca -0.26 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.95 1i1e h GLU 1081Cb 1.20 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.88 1i1e h GLU 1081CO 0.35 0.87 0.08 1.52 -1.16 0.00 0.00 179.01 180.67 1i1e s TYR 1082N -2.91 3.55 0.77 4.33 -0.85 -1.26 -1.54 117.35 119.42 1i1e s TYR 1082Ca 0.01 0.79 -0.07 0.00 -0.52 0.00 0.00 57.07 57.28 1i1e s TYR 1082Cb 0.10 -2.28 0.11 0.00 0.38 0.00 0.00 41.96 40.28 1i1e s TYR 1082CO 0.80 -0.21 1.07 -0.51 -1.52 0.00 0.00 175.55 175.18 1i1e s LEU 1083N -4.57 2.85 0.38 -3.49 1.43 -0.70 -4.81 118.68 109.77 1i1e s LEU 1083Ca 0.47 0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1i1e s LEU 1083Cb -0.10 -2.59 -0.07 0.00 0.03 0.00 0.00 46.19 43.45 1i1e s LEU 1083CO 0.42 -1.93 0.00 -0.54 0.23 0.00 0.00 176.35 174.54 1i1e s LYS 1084N -5.36 1.87 0.54 1.70 1.02 -1.26 -0.85 119.74 117.41 1i1e s LYS 1084Ca 0.65 -2.04 0.08 0.00 0.02 0.00 0.00 55.97 54.68 1i1e s LYS 1084Cb -0.08 -1.49 0.06 0.00 -0.52 0.00 0.00 37.83 35.80 1i1e s LYS 1084CO 0.46 -0.05 0.65 0.16 -0.92 0.00 0.00 175.35 175.66 1i1e s ASP 1085N -3.65 5.04 0.38 2.83 1.47 0.26 -4.48 116.67 118.51 1i1e s ASP 1085Ca 0.35 -0.90 0.17 0.00 1.18 0.00 0.00 52.55 53.34 1i1e s ASP 1085Cb 0.09 0.19 1.06 0.00 -0.34 0.00 0.00 42.92 43.92 1i1e s ASP 1085CO 0.17 -1.19 1.75 0.15 0.68 0.00 0.00 175.17 176.73 1i1e h PHE 1086N 0.41 0.74 0.00 2.11 3.57 -0.76 0.23 116.94 123.25 1i1e h PHE 1086Ca -0.33 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1i1e h PHE 1086Cb 1.29 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1i1e h PHE 1086CO 0.57 0.05 -0.01 0.91 -2.23 0.00 0.00 178.31 177.60 1i1e n TRP 1087N -4.70 0.88 0.00 0.41 5.03 -1.26 -4.90 117.44 112.90 1i1e n TRP 1087Ca 0.26 0.26 0.00 0.00 3.03 0.00 0.00 57.50 61.05 1i1e n TRP 1087Cb 0.87 -0.92 0.00 0.00 -1.03 0.00 0.00 31.31 30.23 1i1e n TRP 1087CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1i1e n GLY 1088N 1.32 0.81 3.93 6.99 0.00 0.81 -1.25 105.19 117.81 1i1e n GLY 1088Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1i1e n GLY 1088CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i1e s ASN 1089N -2.14 6.01 0.19 1.61 0.01 -1.26 -4.70 114.94 114.66 1i1e s ASN 1089Ca 0.00 0.58 -0.33 0.00 -0.71 0.00 0.00 52.86 52.40 1i1e s ASN 1089Cb 0.00 -1.87 -0.14 0.00 0.41 0.00 0.00 41.25 39.65 1i1e s ASN 1089CO 0.00 -0.65 1.50 -2.65 -1.51 0.00 0.00 177.10 173.80 1i1e n PRO 1090N -2.16 2.09 -2.15 -0.60 -0.02 -1.26 0.91 135.00 131.82 1i1e n PRO 1090Ca 0.00 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 1i1e n PRO 1090Cb 0.57 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 1i1e n PRO 1090CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1i1e s LEU 1091N 0.53 4.42 0.19 2.45 2.96 -0.03 -4.59 118.68 124.62 1i1e s LEU 1091Ca 0.74 2.58 0.11 0.00 -0.22 0.00 0.00 54.13 57.34 1i1e s LEU 1091Cb -0.67 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.35 1i1e s LEU 1091CO 0.43 -0.54 -0.24 -0.04 -1.32 0.00 0.00 176.35 174.64 1i1e s MET 1092N -1.02 1.52 0.29 1.98 -1.94 -1.26 -1.53 119.30 117.35 1i1e s MET 1092Ca 0.53 -1.51 -0.16 0.00 -1.71 0.00 0.00 55.69 52.84 1i1e s MET 1092Cb -0.39 -1.86 -0.09 0.00 2.01 0.00 0.00 34.83 34.51 1i1e s MET 1092CO 0.46 0.40 0.72 0.71 -0.01 0.00 0.00 175.02 177.30 1i1e s TYR 1093N -1.63 3.45 -1.30 -0.03 1.51 0.22 -4.21 117.35 115.35 1i1e s TYR 1093Ca 0.20 1.24 -0.06 0.00 -1.01 0.00 0.00 57.07 57.44 1i1e s TYR 1093Cb -0.08 -2.54 0.01 0.00 -0.11 0.00 0.00 41.96 39.24 1i1e s TYR 1093CO 0.10 0.17 1.12 0.09 -1.11 0.00 0.00 175.55 175.92 1i1e n ASN 1094N -0.05 -4.98 -3.86 2.29 3.02 0.51 -4.02 115.26 108.16 1i1e n ASN 1094Ca 0.02 -0.56 -0.21 0.00 -0.03 0.00 0.00 54.58 53.80 1i1e n ASN 1094Cb 0.53 -5.05 -0.17 0.00 -0.61 0.00 0.00 39.78 34.48 1i1e n ASN 1094CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1i1e s LYS 1095N -6.00 0.76 0.23 3.52 2.20 -1.26 -4.87 119.74 114.32 1i1e s LYS 1095Ca 0.40 -0.05 -0.31 0.00 -0.36 0.00 0.00 55.97 55.65 1i1e s LYS 1095Cb -0.18 -0.87 -0.11 0.00 -1.51 0.00 0.00 37.83 35.17 1i1e s LYS 1095CO 0.73 -0.14 1.57 -1.21 -0.36 0.00 0.00 175.35 175.94 1i1e s GLU 1096N 1.19 4.19 0.00 4.03 2.02 -1.26 -4.37 118.70 124.50 1i1e s GLU 1096Ca -0.07 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.37 1i1e s GLU 1096Cb -0.14 -3.09 -0.00 0.00 0.10 0.00 0.00 34.13 31.00 1i1e s GLU 1096CO -0.02 -0.59 -0.01 0.71 0.02 0.00 0.00 175.26 175.38 1i1e s TYR 1097N 0.53 0.07 0.28 1.61 4.12 0.12 -4.45 117.35 119.63 1i1e s TYR 1097Ca 0.66 -0.09 -0.03 0.00 0.02 0.00 0.00 57.07 57.64 1i1e s TYR 1097Cb -0.45 -0.05 -0.05 0.00 -1.52 0.00 0.00 41.96 39.89 1i1e s TYR 1097CO 0.39 -0.03 0.51 0.71 0.02 0.00 0.00 175.55 177.16 1i1e s TYR 1098N -0.23 3.48 -0.12 2.71 1.51 0.91 0.45 117.35 126.07 1i1e s TYR 1098Ca -0.02 0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 56.50 1i1e s TYR 1098Cb -0.02 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 1i1e s TYR 1098CO -0.00 0.21 0.05 -1.64 -1.11 0.00 0.00 175.55 173.06 1i1e s MET 1099N -3.64 3.33 0.05 -0.62 -1.94 -1.26 -0.67 119.30 114.55 1i1e s MET 1099Ca 0.42 -0.33 0.07 0.00 -1.71 0.00 0.00 55.69 54.14 1i1e s MET 1099Cb -0.11 -2.99 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 1i1e s MET 1099CO 0.31 0.62 -0.17 0.12 -0.01 0.00 0.00 175.02 175.89 1i1e s PHE 1100N -0.63 2.59 -0.23 -0.03 5.36 0.60 -4.72 117.98 120.93 1i1e s PHE 1100Ca 0.11 -0.23 0.01 0.00 -0.96 0.00 0.00 56.93 55.86 1i1e s PHE 1100Cb -0.12 -1.46 0.06 0.00 -0.34 0.00 0.00 43.02 41.16 1i1e s PHE 1100CO 0.02 0.29 -0.07 1.21 -1.46 0.00 0.00 175.22 175.22 1i1e s ASN 1101N -1.58 3.77 0.41 6.13 3.84 -1.26 -1.18 114.94 125.07 1i1e s ASN 1101Ca 0.16 -1.12 0.29 0.00 0.21 0.00 0.00 52.86 52.40 1i1e s ASN 1101Cb -0.11 -1.21 1.44 0.00 -0.55 0.00 0.00 41.25 40.82 1i1e s ASN 1101CO 0.07 -0.21 1.87 0.00 -2.79 0.00 0.00 177.10 176.04 1i1e h ALA 1102N 7.95 1.00 -0.00 1.71 0.00 -1.59 -1.51 119.26 126.81 1i1e h ALA 1102Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1i1e h ALA 1102Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1i1e h ALA 1102CO 0.43 0.00 -0.59 0.41 0.00 0.00 0.00 179.25 179.50 1i1e n GLY 1103N -0.81 -0.84 2.40 0.00 0.00 -1.24 -4.42 105.19 100.28 1i1e n GLY 1103Ca -0.01 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 1i1e n GLY 1103CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i1e n ASN 1104N -1.08 -0.80 -0.34 1.61 4.13 -0.61 -4.81 115.26 113.35 1i1e n ASN 1104Ca 0.07 -3.02 -0.07 0.00 1.68 0.00 0.00 54.58 53.24 1i1e n ASN 1104Cb 0.36 0.30 -0.05 0.00 -1.54 0.00 0.00 39.78 38.85 1i1e n ASN 1104CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1i1e n LYS 1105N 1.16 -0.32 -0.03 3.52 5.02 -0.94 -0.75 118.16 125.81 1i1e n LYS 1105Ca 0.17 1.27 0.00 0.00 -2.02 0.00 0.00 58.31 57.73 1i1e n LYS 1105Cb 0.60 -1.87 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 1i1e n LYS 1105CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1i1e n ASN 1106N -5.10 0.75 -4.71 4.39 3.02 -1.26 -4.74 115.26 107.61 1i1e n ASN 1106Ca 0.04 -2.02 -0.30 0.00 -0.03 0.00 0.00 54.58 52.27 1i1e n ASN 1106Cb 0.25 -0.30 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 1i1e n ASN 1106CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1i1e s SER 1107N -0.44 5.16 0.08 6.41 0.01 0.07 0.68 113.70 125.67 1i1e s SER 1107Ca 0.02 -0.15 -0.10 0.00 1.31 0.00 0.00 55.95 57.03 1i1e s SER 1107Cb 0.01 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 64.98 1i1e s SER 1107CO 0.01 0.16 0.21 -0.72 0.41 0.00 0.00 173.24 173.31 1i1e s TYR 1108N -1.39 0.09 0.05 2.43 -0.85 -0.12 -4.55 117.35 113.01 1i1e s TYR 1108Ca 0.27 -0.46 -0.12 0.00 -0.52 0.00 0.00 57.07 56.23 1i1e s TYR 1108Cb -0.11 -0.02 -0.06 0.00 0.38 0.00 0.00 41.96 42.15 1i1e s TYR 1108CO 0.20 -0.54 0.42 0.42 -1.52 0.00 0.00 175.55 174.53 1i1e s ILE 1109N -3.58 5.04 -0.09 -3.49 1.01 -1.26 -0.47 121.20 118.36 1i1e s ILE 1109Ca 0.03 0.64 -0.05 0.00 0.00 0.00 0.00 60.65 61.26 1i1e s ILE 1109Cb 0.03 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.86 1i1e s ILE 1109CO -0.10 0.40 0.22 -0.75 0.00 0.00 0.00 174.94 174.71 1i1e s LYS 1110N -1.59 0.20 -0.05 2.79 2.20 -0.55 -2.27 119.74 120.48 1i1e s LYS 1110Ca 0.30 0.44 -0.30 0.00 -0.36 0.00 0.00 55.97 56.05 1i1e s LYS 1110Cb -0.15 -0.06 -0.06 0.00 -1.51 0.00 0.00 37.83 36.05 1i1e s LYS 1110CO 0.16 -0.13 1.73 -1.17 -0.36 0.00 0.00 175.35 175.59 1i1e s LEU 1111N 0.92 4.30 0.26 5.43 2.96 -1.26 -0.64 118.68 130.65 1i1e s LEU 1111Ca -0.07 2.28 -0.30 0.00 -0.22 0.00 0.00 54.13 55.83 1i1e s LEU 1111Cb -0.08 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.97 1i1e s LEU 1111CO -0.06 -1.00 1.52 -0.75 -1.32 0.00 0.00 176.35 174.74 1i1e s LYS 1112N 4.23 4.20 0.17 1.98 2.20 0.07 -4.88 119.74 127.71 1i1e s LYS 1112Ca 0.77 2.42 -0.22 0.00 -0.36 0.00 0.00 55.97 58.58 1i1e s LYS 1112Cb -0.35 -3.08 0.07 0.00 -1.51 0.00 0.00 37.83 32.97 1i1e s LYS 1112CO 0.32 -0.52 1.60 -0.22 -0.36 0.00 0.00 175.35 176.17 1i1e h LYS 1113N 5.13 -0.22 -0.09 4.03 3.64 -1.91 -3.05 116.57 124.10 1i1e h LYS 1113Ca -0.46 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1i1e h LYS 1113Cb 1.22 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1i1e h LYS 1113CO 0.80 -0.15 0.00 -0.40 -2.27 0.00 0.00 179.45 177.43 1i1e n ASP 1114N -5.42 2.28 -3.89 4.20 5.68 -1.26 -4.97 116.55 113.16 1i1e n ASP 1114Ca 0.02 -1.76 -0.10 0.00 -0.50 0.00 0.00 54.79 52.44 1i1e n ASP 1114Cb 0.33 -0.05 -0.09 0.00 -1.14 0.00 0.00 41.12 40.17 1i1e n ASP 1114CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1i1e s SER 1115N -1.87 0.10 0.00 -1.12 1.04 -1.15 -5.04 113.70 105.65 1i1e s SER 1115Ca 0.34 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 1i1e s SER 1115Cb 0.20 0.22 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 1i1e s SER 1115CO 0.31 -0.44 1.54 -0.81 0.98 0.00 0.00 173.24 174.82 1i1e n PRO 1116N 1.09 0.77 -4.30 4.02 -0.04 -1.26 -4.09 135.00 131.19 1i1e n PRO 1116Ca -0.21 -0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 62.87 1i1e n PRO 1116Cb 0.57 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 1i1e n PRO 1116CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1i1e s VAL 1117N 1.30 0.99 -0.27 0.52 -7.23 -1.26 0.76 120.40 115.20 1i1e s VAL 1117Ca 0.15 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1i1e s VAL 1117Cb 0.07 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.77 1i1e s VAL 1117CO 0.00 -0.40 0.04 -0.83 -0.31 0.00 0.00 175.10 173.59 1i1e s GLY 1118N -3.27 1.73 0.57 2.32 0.00 -1.26 -0.75 107.32 106.67 1i1e s GLY 1118Ca 0.26 -1.39 -0.08 0.00 0.00 0.00 0.00 44.72 43.51 1i1e s GLY 1118CO 0.07 0.59 0.92 -1.83 0.00 0.00 0.00 173.10 172.85 1i1e s GLU 1119N 1.47 3.35 -0.28 2.90 -1.05 0.19 -0.87 118.70 124.40 1i1e s GLU 1119Ca 0.03 0.35 -0.06 0.00 -0.15 0.00 0.00 54.97 55.14 1i1e s GLU 1119Cb -0.17 -2.22 0.01 0.00 -0.44 0.00 0.00 34.13 31.31 1i1e s GLU 1119CO 0.00 -0.52 0.05 0.42 0.95 0.00 0.00 175.26 176.17 1i1e s ILE 1120N -3.00 3.73 0.36 1.83 -1.09 -0.57 -1.48 121.20 120.99 1i1e s ILE 1120Ca 0.52 -0.74 0.08 0.00 -2.23 0.00 0.00 60.65 58.28 1i1e s ILE 1120Cb -0.11 -2.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 1i1e s ILE 1120CO 0.48 0.12 0.30 -0.76 -1.23 0.00 0.00 174.94 173.85 1i1e s LEU 1121N 1.46 3.47 0.01 2.97 1.43 0.38 -4.65 118.68 123.76 1i1e s LEU 1121Ca 0.02 -0.63 -0.23 0.00 -1.03 0.00 0.00 54.13 52.26 1i1e s LEU 1121Cb -0.17 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 1i1e s LEU 1121CO 0.01 -0.45 0.67 -0.89 0.23 0.00 0.00 176.35 175.93 1i1e s THR 1122N -2.38 4.84 0.41 5.49 2.01 -1.26 -0.95 115.64 123.79 1i1e s THR 1122Ca 0.43 1.42 -0.27 0.00 0.31 0.00 0.00 61.69 63.58 1i1e s THR 1122Cb -0.04 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.36 1i1e s THR 1122CO 0.26 0.39 1.40 -0.13 -0.69 0.00 0.00 174.62 175.85 1i1e s ARG 1123N -0.09 3.95 0.59 4.92 0.52 0.21 -4.91 118.95 124.14 1i1e s ARG 1123Ca 0.35 2.38 -0.14 0.00 -0.52 0.00 0.00 55.73 57.79 1i1e s ARG 1123Cb -0.19 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 1i1e s ARG 1123CO 0.20 -0.59 1.03 -1.54 0.02 0.00 0.00 175.30 174.42 1i1e s SER 1124N -0.46 6.07 0.48 0.23 1.04 -1.26 -4.84 113.70 114.96 1i1e s SER 1124Ca 0.56 1.63 0.04 0.00 0.48 0.00 0.00 55.95 58.67 1i1e s SER 1124Cb -0.43 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.16 1i1e s SER 1124CO 0.56 -0.97 0.11 -1.59 0.98 0.00 0.00 173.24 172.33 1i1e s LYS 1125N -4.44 2.17 -0.14 4.02 -2.85 -1.26 -0.23 119.74 117.01 1i1e s LYS 1125Ca 0.60 -2.16 -0.33 0.00 -1.00 0.00 0.00 55.97 53.07 1i1e s LYS 1125Cb -0.13 -1.74 -0.10 0.00 -2.06 0.00 0.00 37.83 33.80 1i1e s LYS 1125CO 0.41 -0.29 2.00 0.98 0.10 0.00 0.00 175.35 178.55 1i1e n TYR 1126N -1.29 2.18 0.01 1.78 9.36 -0.61 -4.85 117.16 123.75 1i1e n TYR 1126Ca -0.10 -0.03 -0.11 0.00 3.32 0.00 0.00 57.90 60.98 1i1e n TYR 1126Cb 0.66 -2.67 -0.14 0.00 -0.63 0.00 0.00 39.34 36.56 1i1e n TYR 1126CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1i1e h ASN 1127N 10.89 0.12 -2.99 2.98 2.35 -1.97 -3.47 115.58 123.48 1i1e h ASN 1127Ca -0.44 -0.20 -0.41 0.00 -0.55 0.00 0.00 56.30 54.70 1i1e h ASN 1127Cb 1.27 -0.04 0.22 0.00 0.05 0.00 0.00 38.32 39.82 1i1e h ASN 1127CO 0.96 1.17 -0.14 0.00 -1.65 0.00 0.00 177.43 177.78 1i1e n GLN 1128N -3.23 -3.35 -0.74 0.81 6.02 -1.26 -4.95 117.38 110.68 1i1e n GLN 1128Ca -0.15 -0.97 0.08 0.00 -0.01 0.00 0.00 57.00 55.96 1i1e n GLN 1128Cb 1.03 -2.04 0.38 0.00 1.02 0.00 0.00 30.24 30.62 1i1e n GLN 1128CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1i1e n ASN 1129N -5.07 5.16 -4.75 1.08 0.23 -1.26 -5.01 115.26 105.65 1i1e n ASN 1129Ca 0.06 -2.65 -0.37 0.00 -0.53 0.00 0.00 54.58 51.09 1i1e n ASN 1129Cb 0.56 -0.63 0.04 0.00 -2.08 0.00 0.00 39.78 37.67 1i1e n ASN 1129CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1i1e s SER 1130N -0.83 5.20 0.03 0.53 0.15 -1.26 -4.91 113.70 112.60 1i1e s SER 1130Ca 0.52 2.52 0.23 0.00 0.70 0.00 0.00 55.95 59.92 1i1e s SER 1130Cb 0.36 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 62.17 1i1e s SER 1130CO 0.21 -1.60 1.10 2.29 1.20 0.00 0.00 173.24 176.44 1i1e n LYS 1131N -1.40 0.18 0.12 5.44 2.85 -1.26 -4.10 118.16 119.99 1i1e n LYS 1131Ca 0.13 -0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.50 1i1e n LYS 1131Cb 0.48 -1.56 0.13 0.00 -0.65 0.00 0.00 35.03 33.43 1i1e n LYS 1131CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1i1e h TYR 1132N 0.00 0.00 -3.93 5.58 0.99 -1.96 -3.48 116.97 114.17 1i1e h TYR 1132Ca 0.00 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.36 1i1e h TYR 1132Cb 0.64 0.00 -0.21 0.00 1.00 0.00 0.00 36.73 38.16 1i1e h TYR 1132CO 0.00 0.00 -0.76 0.96 -0.00 0.00 0.00 178.16 178.36 1i1e s ILE 1133N -3.25 0.94 -0.28 -2.88 -4.36 -1.26 -4.51 121.20 105.60 1i1e s ILE 1133Ca 0.04 -1.27 -0.21 0.00 -0.26 0.00 0.00 60.65 58.95 1i1e s ILE 1133Cb 0.10 -0.96 0.08 0.00 1.25 0.00 0.00 42.46 42.92 1i1e s ILE 1133CO 0.72 -0.30 0.74 0.21 0.24 0.00 0.00 174.94 176.56 1i1e s ASN 1134N -1.75 -0.80 0.27 4.36 3.84 -1.07 -4.81 114.94 114.98 1i1e s ASN 1134Ca -0.04 1.40 -0.21 0.00 0.21 0.00 0.00 52.86 54.23 1i1e s ASN 1134Cb -0.09 1.38 0.04 0.00 -0.55 0.00 0.00 41.25 42.03 1i1e s ASN 1134CO 0.02 -0.23 0.82 -0.72 -2.79 0.00 0.00 177.10 174.19 1i1e s TYR 1135N 0.95 -0.08 -0.06 0.43 -0.85 -1.25 -2.96 117.35 113.53 1i1e s TYR 1135Ca -0.04 -0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.13 1i1e s TYR 1135Cb -0.05 0.73 -0.03 0.00 0.38 0.00 0.00 41.96 42.99 1i1e s TYR 1135CO -0.09 -1.21 -0.11 1.03 -1.52 0.00 0.00 175.55 173.65 1i1e s ARG 1136N -3.24 2.61 0.47 -3.49 1.81 -0.72 -1.58 118.95 114.82 1i1e s ARG 1136Ca 0.13 -0.64 -0.24 0.00 -1.72 0.00 0.00 55.73 53.26 1i1e s ARG 1136Cb -0.04 -2.46 -0.07 0.00 -0.45 0.00 0.00 34.95 31.92 1i1e s ARG 1136CO 0.07 0.64 1.41 -0.51 -0.68 0.00 0.00 175.30 176.23 1i1e s ASP 1137N -0.75 5.73 -0.05 0.23 1.01 0.68 -4.92 116.67 118.61 1i1e s ASP 1137Ca 0.12 2.89 0.08 0.00 0.71 0.00 0.00 52.55 56.35 1i1e s ASP 1137Cb -0.11 -2.65 -0.12 0.00 1.01 0.00 0.00 42.92 41.05 1i1e s ASP 1137CO 0.01 -1.27 0.12 0.18 0.21 0.00 0.00 175.17 174.42 1i1e n LEU 1138N -0.39 0.00 -3.63 1.23 4.77 -1.26 -4.71 117.00 113.01 1i1e n LEU 1138Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.63 1i1e n LEU 1138Cb 0.43 0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1i1e n LEU 1138CO 0.57 0.10 2.25 -1.22 -1.33 0.00 0.00 177.39 177.77 1i1e n TYR 1139N -2.06 2.72 -4.08 -1.77 4.01 -1.26 -4.86 117.16 109.86 1i1e n TYR 1139Ca -0.07 -2.81 -0.09 0.00 -0.16 0.00 0.00 57.90 54.76 1i1e n TYR 1139Cb 0.50 -1.90 -0.09 0.00 -0.31 0.00 0.00 39.34 37.54 1i1e n TYR 1139CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1i1e s ILE 1140N -0.45 0.12 0.00 -0.72 2.07 -1.26 -5.12 121.20 115.85 1i1e s ILE 1140Ca 0.49 -1.74 0.00 0.00 -1.41 0.00 0.00 60.65 57.99 1i1e s ILE 1140Cb 0.15 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.90 1i1e s ILE 1140CO -0.05 -0.56 0.00 0.61 -1.91 0.00 0.00 174.94 173.02 1i1e n GLY 1141N -0.07 -2.57 3.62 1.50 0.00 -1.26 -4.67 105.19 101.75 1i1e n GLY 1141Ca -0.08 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 1i1e n GLY 1141CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i1e n GLU 1142N -0.72 -0.35 -3.63 1.61 -0.58 -0.96 -4.97 120.64 111.03 1i1e n GLU 1142Ca 0.00 -0.04 -0.40 0.00 -0.42 0.00 0.00 57.16 56.30 1i1e n GLU 1142Cb 0.00 -2.28 -0.11 0.00 -0.57 0.00 0.00 31.44 28.47 1i1e n GLU 1142CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1i1e s LYS 1143N -4.37 2.80 0.42 3.49 1.02 -1.26 -4.46 119.74 117.37 1i1e s LYS 1143Ca 0.66 -1.09 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 1i1e s LYS 1143Cb -0.24 -3.67 -0.02 0.00 -0.52 0.00 0.00 37.83 33.38 1i1e s LYS 1143CO 0.59 -0.68 0.65 -0.06 -0.92 0.00 0.00 175.35 174.93 1i1e s PHE 1144N 1.53 3.41 -0.15 3.18 0.40 0.17 -1.54 117.98 124.98 1i1e s PHE 1144Ca 0.01 0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 56.69 1i1e s PHE 1144Cb -0.19 -2.14 0.06 0.00 0.51 0.00 0.00 43.02 41.26 1i1e s PHE 1144CO 0.06 -0.15 0.33 -1.50 0.70 0.00 0.00 175.22 174.66 1i1e s ILE 1145N -2.51 -0.28 -0.21 0.64 2.07 -0.60 0.14 121.20 120.45 1i1e s ILE 1145Ca 0.45 0.18 -0.26 0.00 -1.41 0.00 0.00 60.65 59.60 1i1e s ILE 1145Cb -0.10 -0.52 -0.00 0.00 0.13 0.00 0.00 42.46 41.97 1i1e s ILE 1145CO 0.39 0.07 0.91 -0.63 -1.91 0.00 0.00 174.94 173.77 1i1e s ILE 1146N 1.93 4.80 -0.03 2.00 1.01 -1.26 -2.38 121.20 127.27 1i1e s ILE 1146Ca -0.05 1.75 0.00 0.00 0.00 0.00 0.00 60.65 62.36 1i1e s ILE 1146Cb -0.11 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1i1e s ILE 1146CO -0.10 -0.08 0.01 -0.13 0.00 0.00 0.00 174.94 174.64 1i1e s ARG 1147N 2.75 2.88 0.22 2.79 1.81 -0.87 -0.37 118.95 128.16 1i1e s ARG 1147Ca 0.39 -0.54 -0.30 0.00 -1.72 0.00 0.00 55.73 53.57 1i1e s ARG 1147Cb -0.16 -2.73 -0.08 0.00 -0.45 0.00 0.00 34.95 31.53 1i1e s ARG 1147CO 0.09 0.65 1.01 0.50 -0.68 0.00 0.00 175.30 176.87 1i1e s ARG 1148N -1.38 4.74 -0.01 3.54 3.52 -1.26 -1.80 118.95 126.30 1i1e s ARG 1148Ca 0.18 1.60 -0.11 0.00 -0.13 0.00 0.00 55.73 57.27 1i1e s ARG 1148Cb -0.12 -3.27 -0.32 0.00 -1.56 0.00 0.00 34.95 29.68 1i1e s ARG 1148CO 0.08 0.33 0.84 -0.22 -0.81 0.00 0.00 175.30 175.52 1i1e h LYS 1149N 4.42 0.42 0.00 5.12 1.63 -1.74 -3.45 116.57 122.97 1i1e h LYS 1149Ca -0.45 -0.72 -0.31 0.00 -0.85 0.00 0.00 60.65 58.32 1i1e h LYS 1149Cb 1.21 0.27 0.04 0.00 -0.60 0.00 0.00 32.23 33.14 1i1e h LYS 1149CO 0.69 1.33 0.02 0.45 -3.45 0.00 0.00 179.45 178.49 1i1e n SER 1150N -3.61 1.11 -0.43 4.20 2.88 -1.26 -4.92 113.62 111.59 1i1e n SER 1150Ca -0.20 -1.87 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 1i1e n SER 1150Cb 1.08 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1i1e n SER 1150CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1i1e n ASN 1151N -2.77 -0.68 -2.98 -3.46 6.94 -1.26 -4.70 115.26 106.35 1i1e n ASN 1151Ca 0.11 0.17 -0.19 0.00 -0.02 0.00 0.00 54.58 54.64 1i1e n ASN 1151Cb 0.39 -0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.52 1i1e n ASN 1151CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1i1e n SER 1152N 1.42 4.63 -1.73 0.53 3.41 -1.26 -4.63 113.62 115.99 1i1e n SER 1152Ca 0.00 -2.27 -0.13 0.00 -0.26 0.00 0.00 58.87 56.21 1i1e n SER 1152Cb 0.00 -1.05 0.04 0.00 -0.26 0.00 0.00 64.21 62.95 1i1e n SER 1152CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i1e n GLN 1153N 3.88 1.62 -0.09 4.33 6.02 -1.26 -4.98 117.38 126.89 1i1e n GLN 1153Ca 0.41 -1.27 0.01 0.00 -0.01 0.00 0.00 57.00 56.14 1i1e n GLN 1153Cb 0.21 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.97 1i1e n GLN 1153CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1i1e n SER 1154N 0.33 -0.68 -3.04 1.08 7.64 -1.26 -4.74 113.62 112.95 1i1e n SER 1154Ca 0.25 0.10 -0.26 0.00 1.01 0.00 0.00 58.87 59.96 1i1e n SER 1154Cb 0.69 -0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 1i1e n SER 1154CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1i1e n ILE 1155N -0.95 2.70 0.00 0.44 -5.35 -1.26 -4.91 119.36 110.03 1i1e n ILE 1155Ca 0.00 -5.44 0.00 0.00 -0.27 0.00 0.00 62.75 57.04 1i1e n ILE 1155Cb 0.04 -1.45 0.00 0.00 -1.74 0.00 0.00 39.64 36.49 1i1e n ILE 1155CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1i1e n ASN 1156N -0.00 0.00 -3.33 7.28 4.13 -1.26 -4.97 115.26 117.11 1i1e n ASN 1156Ca 0.30 0.02 -0.05 0.00 1.68 0.00 0.00 54.58 56.54 1i1e n ASN 1156Cb 0.41 -0.12 0.01 0.00 -1.54 0.00 0.00 39.78 38.54 1i1e n ASN 1156CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1i1e s ASP 1157N -1.69 -0.04 0.00 6.41 1.01 -1.26 -4.62 116.67 116.48 1i1e s ASP 1157Ca 0.00 -0.76 0.00 0.00 0.71 0.00 0.00 52.55 52.50 1i1e s ASP 1157Cb 0.00 0.60 0.00 0.00 1.01 0.00 0.00 42.92 44.53 1i1e s ASP 1157CO 0.00 -1.19 0.00 0.47 0.21 0.00 0.00 175.17 174.66 1i1e n ASP 1158N -1.12 0.00 -4.79 0.27 8.00 -1.26 -4.91 116.55 112.75 1i1e n ASP 1158Ca -0.05 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.08 1i1e n ASP 1158Cb 0.60 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 1i1e n ASP 1158CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i1e s ILE 1159N -2.00 4.26 -0.24 0.53 1.01 -1.26 0.72 121.20 124.21 1i1e s ILE 1159Ca 0.00 1.75 -0.16 0.00 0.00 0.00 0.00 60.65 62.24 1i1e s ILE 1159Cb 0.00 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1i1e s ILE 1159CO 0.00 0.13 0.43 -0.69 0.00 0.00 0.00 174.94 174.81 1i1e s VAL 1160N -1.63 5.15 0.04 2.92 1.01 -0.58 -4.80 120.40 122.52 1i1e s VAL 1160Ca 0.50 0.72 0.03 0.00 0.00 0.00 0.00 61.98 63.23 1i1e s VAL 1160Cb -0.18 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1i1e s VAL 1160CO 0.23 0.18 -0.01 -0.13 0.00 0.00 0.00 175.10 175.37 1i1e s ARG 1161N 1.82 2.63 0.27 2.72 0.52 -1.26 -1.72 118.95 123.93 1i1e s ARG 1161Ca 0.19 -0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 54.37 1i1e s ARG 1161Cb -0.15 -2.58 -0.15 0.00 0.52 0.00 0.00 34.95 32.59 1i1e s ARG 1161CO 0.09 0.58 0.94 1.63 0.02 0.00 0.00 175.30 178.56 1i1e n LYS 1162N 1.02 1.12 -0.96 3.54 5.02 -0.59 -1.49 118.16 125.82 1i1e n LYS 1162Ca -0.13 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1i1e n LYS 1162Cb 0.52 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1i1e n LYS 1162CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1i1e n GLU 1163N 0.83 -0.26 -2.18 1.97 -0.58 0.72 -5.01 120.64 116.14 1i1e n GLU 1163Ca 0.11 0.06 -0.34 0.00 -0.42 0.00 0.00 57.16 56.58 1i1e n GLU 1163Cb 0.30 -3.23 0.00 0.00 -0.57 0.00 0.00 31.44 27.95 1i1e n GLU 1163CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1i1e s ASP 1164N -2.32 5.81 -0.23 1.62 1.01 -0.56 -4.76 116.67 117.24 1i1e s ASP 1164Ca 0.00 1.96 -0.10 0.00 0.71 0.00 0.00 52.55 55.11 1i1e s ASP 1164Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1i1e s ASP 1164CO 0.00 -1.15 0.15 -0.31 0.21 0.00 0.00 175.17 174.07 1i1e s TYR 1165N -2.15 3.32 0.39 4.23 1.51 -1.26 -1.55 117.35 121.84 1i1e s TYR 1165Ca 0.67 0.23 0.06 0.00 -1.01 0.00 0.00 57.07 57.02 1i1e s TYR 1165Cb -0.19 -2.25 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 1i1e s TYR 1165CO 0.31 0.09 0.21 0.96 -1.11 0.00 0.00 175.55 176.01 1i1e s ILE 1166N 0.96 0.26 -0.05 2.71 -4.36 0.25 -2.08 121.20 118.89 1i1e s ILE 1166Ca 0.07 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.52 1i1e s ILE 1166Cb -0.13 -2.38 -0.01 0.00 1.25 0.00 0.00 42.46 41.19 1i1e s ILE 1166CO 0.04 0.00 -0.23 -0.31 0.24 0.00 0.00 174.94 174.68 1i1e s TYR 1167N -3.28 2.24 -0.44 1.37 4.12 -0.75 -0.86 117.35 119.76 1i1e s TYR 1167Ca 0.31 -0.66 -0.10 0.00 0.02 0.00 0.00 57.07 56.64 1i1e s TYR 1167Cb 0.02 -1.48 0.08 0.00 -1.52 0.00 0.00 41.96 39.06 1i1e s TYR 1167CO 0.21 -0.20 0.30 -1.17 0.02 0.00 0.00 175.55 174.71 1i1e s LEU 1168N -0.12 5.31 0.00 -1.29 2.96 -1.26 -2.04 118.68 122.24 1i1e s LEU 1168Ca -0.03 -1.54 0.03 0.00 -0.22 0.00 0.00 54.13 52.37 1i1e s LEU 1168Cb -0.13 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.57 1i1e s LEU 1168CO 0.03 -0.58 0.25 0.47 -1.32 0.00 0.00 176.35 175.20 1i1e n ASP 1169N 4.97 2.24 -3.61 3.68 8.00 -1.00 -0.88 116.55 129.95 1i1e n ASP 1169Ca -0.10 -2.29 -0.04 0.00 0.71 0.00 0.00 54.79 53.06 1i1e n ASP 1169Cb 0.43 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 1i1e n ASP 1169CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1i1e s PHE 1170N -1.86 -0.18 -0.23 1.24 -0.71 -0.80 -1.56 117.98 113.87 1i1e s PHE 1170Ca 0.19 0.04 -0.11 0.00 -1.04 0.00 0.00 56.93 56.00 1i1e s PHE 1170Cb -0.02 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.30 1i1e s PHE 1170CO 0.12 -0.48 0.20 -0.06 -1.34 0.00 0.00 175.22 173.67 1i1e s PHE 1171N -2.86 3.33 -0.50 3.49 0.08 -0.59 -0.34 117.98 120.60 1i1e s PHE 1171Ca 0.09 0.30 -0.02 0.00 0.12 0.00 0.00 56.93 57.43 1i1e s PHE 1171Cb 0.00 -2.31 0.13 0.00 -0.57 0.00 0.00 43.02 40.27 1i1e s PHE 1171CO -0.04 0.06 0.29 1.21 -0.10 0.00 0.00 175.22 176.64 1i1e s ASN 1172N 1.02 5.16 1.78 1.36 2.47 -0.36 -4.59 114.94 121.78 1i1e s ASN 1172Ca 0.10 -2.42 0.00 0.00 0.42 0.00 0.00 52.86 50.95 1i1e s ASN 1172Cb -0.14 -1.82 0.00 0.00 -1.45 0.00 0.00 41.25 37.85 1i1e s ASN 1172CO 0.05 -0.45 0.00 0.18 -3.72 0.00 0.00 177.10 173.16 1i1e n LEU 1173N 4.05 0.00 -0.57 3.21 4.77 -1.26 -1.66 117.00 125.53 1i1e n LEU 1173Ca 0.02 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.14 1i1e n LEU 1173Cb 0.39 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.92 1i1e n LEU 1173CO 0.33 0.00 0.82 -3.20 -1.33 0.00 0.00 177.39 174.01 1i1e n ASN 1174N 9.12 1.79 -4.70 -1.43 5.15 -1.26 -4.94 115.26 118.99 1i1e n ASN 1174Ca 0.00 -1.60 -0.23 0.00 -0.60 0.00 0.00 54.58 52.15 1i1e n ASN 1174Cb 0.00 -0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.18 1i1e n ASN 1174CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1i1e s GLN 1175N -2.00 2.46 -0.27 1.20 -0.21 -0.67 -5.11 119.66 115.06 1i1e s GLN 1175Ca 0.36 -1.36 -0.06 0.00 0.02 0.00 0.00 55.36 54.32 1i1e s GLN 1175Cb 0.21 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.96 1i1e s GLN 1175CO 0.33 0.32 0.04 -2.00 -2.12 0.00 0.00 175.29 171.87 1i1e s GLU 1176N -3.75 3.21 0.55 2.91 2.12 -1.26 -1.22 118.70 121.26 1i1e s GLU 1176Ca 0.33 -0.77 0.09 0.00 0.36 0.00 0.00 54.97 54.98 1i1e s GLU 1176Cb -0.06 -3.27 0.07 0.00 0.26 0.00 0.00 34.13 31.13 1i1e s GLU 1176CO 0.22 -0.36 0.68 -1.58 -0.54 0.00 0.00 175.26 173.68 1i1e s TRP 1177N 1.50 1.64 0.12 5.30 0.52 0.54 -3.92 118.94 124.64 1i1e s TRP 1177Ca 0.03 -0.70 0.03 0.00 0.02 0.00 0.00 56.10 55.48 1i1e s TRP 1177Cb -0.16 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 29.95 1i1e s TRP 1177CO 0.01 -0.91 -0.08 0.50 0.02 0.00 0.00 176.95 176.49 1i1e s ARG 1178N -4.54 0.94 -0.16 4.98 3.52 0.10 -1.90 118.95 121.89 1i1e s ARG 1178Ca 0.55 -1.39 -0.13 0.00 -0.13 0.00 0.00 55.73 54.64 1i1e s ARG 1178Cb -0.05 -0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 32.89 1i1e s ARG 1178CO 0.35 0.03 0.25 0.08 -0.81 0.00 0.00 175.30 175.19 1i1e s VAL 1179N -3.48 5.33 0.18 7.11 1.01 -0.06 -2.54 120.40 127.95 1i1e s VAL 1179Ca 0.14 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1i1e s VAL 1179Cb 0.04 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1i1e s VAL 1179CO -0.02 0.42 -0.05 -0.31 0.00 0.00 0.00 175.10 175.13 1i1e s TYR 1180N 0.32 1.34 -0.12 5.22 2.02 0.73 -4.74 117.35 122.12 1i1e s TYR 1180Ca 0.14 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1i1e s TYR 1180Cb -0.13 -0.73 0.02 0.00 -0.40 0.00 0.00 41.96 40.72 1i1e s TYR 1180CO 0.03 -0.01 -0.11 0.99 -1.57 0.00 0.00 175.55 174.87 1i1e s THR 1181N -3.42 1.26 -0.07 -0.71 2.01 -0.93 0.18 115.64 113.97 1i1e s THR 1181Ca 0.22 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 1i1e s THR 1181Cb 0.04 -1.22 -0.07 0.00 0.01 0.00 0.00 72.50 71.27 1i1e s THR 1181CO 0.04 0.40 1.91 -0.47 -0.69 0.00 0.00 174.62 175.81 1i1e s TYR 1182N 1.51 1.50 0.43 4.92 5.04 -1.26 -0.96 117.35 128.53 1i1e s TYR 1182Ca 0.03 -0.00 0.19 0.00 -2.44 0.00 0.00 57.07 54.84 1i1e s TYR 1182Cb -0.13 -4.09 1.12 0.00 0.35 0.00 0.00 41.96 39.22 1i1e s TYR 1182CO -0.08 -4.59 1.87 0.87 -1.34 0.00 0.00 175.55 172.28 1i1e h LYS 1183N 11.29 0.35 -2.07 4.97 1.57 -1.59 -3.30 116.57 127.79 1i1e h LYS 1183Ca -0.44 -0.02 -0.75 0.00 -1.87 0.00 0.00 60.65 57.57 1i1e h LYS 1183Cb 1.21 -0.08 -0.30 0.00 0.08 0.00 0.00 32.23 33.14 1i1e h LYS 1183CO 0.96 0.23 0.71 0.66 -0.57 0.00 0.00 179.45 181.44 1i1e n TYR 1184N -4.49 3.05 -3.76 -1.35 4.01 -1.26 -4.99 117.16 108.37 1i1e n TYR 1184Ca 0.19 -2.65 -0.35 0.00 -0.16 0.00 0.00 57.90 54.92 1i1e n TYR 1184Cb 0.70 -1.01 -0.08 0.00 -0.31 0.00 0.00 39.34 38.65 1i1e n TYR 1184CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1i1e s PHE 1185N -4.06 3.44 -0.08 -0.72 -0.71 -1.24 -4.98 117.98 109.62 1i1e s PHE 1185Ca 0.46 0.36 0.14 0.00 -1.04 0.00 0.00 56.93 56.86 1i1e s PHE 1185Cb 0.33 -2.12 -0.21 0.00 -1.21 0.00 0.00 43.02 39.81 1i1e s PHE 1185CO -0.26 0.36 0.64 1.63 -1.34 0.00 0.00 175.22 176.25 1i1e n LYS 1186N 3.27 0.63 -0.74 1.99 5.02 -1.26 -4.92 118.16 122.16 1i1e n LYS 1186Ca -0.17 0.24 -0.29 0.00 -2.02 0.00 0.00 58.31 56.07 1i1e n LYS 1186Cb 0.52 -1.77 0.24 0.00 -0.02 0.00 0.00 35.03 34.01 1i1e n LYS 1186CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1i1e s LYS 1187N -2.69 -1.16 -0.13 1.97 1.02 -1.26 -4.90 119.74 112.59 1i1e s LYS 1187Ca -0.05 0.44 0.09 0.00 0.02 0.00 0.00 55.97 56.48 1i1e s LYS 1187Cb 0.08 -1.56 0.49 0.00 -0.52 0.00 0.00 37.83 36.33 1i1e s LYS 1187CO 0.82 -3.78 1.27 -1.91 -0.92 0.00 0.00 175.35 170.83 1i1e n GLU 1188N -4.90 3.28 0.00 1.68 4.07 -1.26 -4.88 120.64 118.63 1i1e n GLU 1188Ca 0.07 -1.90 0.00 0.00 -0.06 0.00 0.00 57.16 55.27 1i1e n GLU 1188Cb 0.57 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 1i1e n GLU 1188CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1i1e n GLU 1189N 0.41 0.00 -3.90 5.31 0.00 -1.26 -2.76 120.64 118.44 1i1e n GLU 1189Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.23 1i1e n GLU 1189Cb 0.79 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 32.18 1i1e n GLU 1189CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1i1e s GLU 1190N -1.76 1.36 0.22 3.44 -1.05 -1.07 -5.02 118.70 114.82 1i1e s GLU 1190Ca 0.00 -1.10 -0.30 0.00 -0.15 0.00 0.00 54.97 53.42 1i1e s GLU 1190Cb 0.00 0.45 -0.09 0.00 -0.44 0.00 0.00 34.13 34.06 1i1e s GLU 1190CO 0.00 -0.55 1.22 0.15 0.95 0.00 0.00 175.26 177.03 1i1e s LYS 1191N -3.95 4.47 0.67 -4.83 1.02 -1.26 -2.06 119.74 113.79 1i1e s LYS 1191Ca 0.16 1.95 -0.15 0.00 0.02 0.00 0.00 55.97 57.95 1i1e s LYS 1191Cb 0.01 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1i1e s LYS 1191CO 0.02 -0.09 1.13 -0.51 -0.92 0.00 0.00 175.35 174.98 1i1e s LEU 1192N -0.59 3.38 -0.34 3.17 1.43 -0.13 -4.81 118.68 120.79 1i1e s LEU 1192Ca 0.52 2.08 -0.10 0.00 -1.03 0.00 0.00 54.13 55.60 1i1e s LEU 1192Cb -0.34 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.33 1i1e s LEU 1192CO 0.40 -1.76 0.16 0.12 0.23 0.00 0.00 176.35 175.50 1i1e s PHE 1193N -2.26 3.21 -0.25 0.29 5.36 0.13 -4.51 117.98 119.95 1i1e s PHE 1193Ca 0.69 -0.88 -0.09 0.00 -0.96 0.00 0.00 56.93 55.68 1i1e s PHE 1193Cb -0.22 -2.37 -0.04 0.00 -0.34 0.00 0.00 43.02 40.04 1i1e s PHE 1193CO 0.42 -0.58 0.13 -0.51 -1.46 0.00 0.00 175.22 173.21 1i1e s LEU 1194N 1.55 3.79 0.30 6.12 1.43 0.23 -0.19 118.68 131.90 1i1e s LEU 1194Ca 0.03 -0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 52.86 1i1e s LEU 1194Cb -0.18 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.05 1i1e s LEU 1194CO 0.06 -0.01 0.77 0.00 0.23 0.00 0.00 176.35 177.39 1i1e s ALA 1195N 1.48 -1.13 0.99 4.21 0.00 -1.05 -4.46 121.76 121.80 1i1e s ALA 1195Ca 0.06 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 1i1e s ALA 1195Cb -0.15 0.78 0.08 0.00 0.00 0.00 0.00 23.12 23.84 1i1e s ALA 1195CO 0.06 -1.03 0.49 -2.30 0.00 0.00 0.00 175.76 172.99 1i1e n PRO 1196N -0.49 -0.71 -2.29 0.00 -0.02 -1.26 -0.72 135.00 129.52 1i1e n PRO 1196Ca -0.05 -0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 60.83 1i1e n PRO 1196Cb 0.59 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 1i1e n PRO 1196CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i1e s ILE 1197N -2.41 3.99 0.14 4.25 1.01 -1.25 -4.52 121.20 122.41 1i1e s ILE 1197Ca 0.59 1.26 -0.24 0.00 0.00 0.00 0.00 60.65 62.26 1i1e s ILE 1197Cb -0.20 -3.81 0.07 0.00 0.01 0.00 0.00 42.46 38.53 1i1e s ILE 1197CO 0.66 -0.07 0.64 -0.94 0.00 0.00 0.00 174.94 175.22 1i1e s SER 1198N 2.21 -0.54 -0.44 3.58 1.04 -1.26 -5.08 113.70 113.21 1i1e s SER 1198Ca 0.61 -0.00 -0.14 0.00 0.48 0.00 0.00 55.95 56.90 1i1e s SER 1198Cb -0.27 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.48 1i1e s SER 1198CO 0.22 -0.93 0.33 -0.62 0.98 0.00 0.00 173.24 173.22 1i1e s ASP 1199N -2.72 6.00 -0.12 7.02 -1.08 -1.26 -5.05 116.67 119.46 1i1e s ASP 1199Ca 0.02 -1.24 0.01 0.00 -0.52 0.00 0.00 52.55 50.81 1i1e s ASP 1199Cb -0.01 -2.13 0.02 0.00 -1.46 0.00 0.00 42.92 39.34 1i1e s ASP 1199CO -0.12 -0.56 -0.14 -0.55 0.52 0.00 0.00 175.17 174.32 1i1e s SER 1200N 2.22 2.48 0.00 -0.34 0.15 -1.26 -4.98 113.70 111.97 1i1e s SER 1200Ca 0.04 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.30 1i1e s SER 1200Cb -0.22 -1.08 0.20 0.00 -1.71 0.00 0.00 66.02 63.20 1i1e s SER 1200CO 0.06 -0.03 1.00 -0.90 1.20 0.00 0.00 173.24 174.57 1i1e n ASP 1201N 4.52 0.00 0.00 5.45 5.75 -1.26 -1.37 116.55 129.64 1i1e n ASP 1201Ca -0.17 0.29 0.11 0.00 -0.01 0.00 0.00 54.79 55.01 1i1e n ASP 1201Cb 0.51 -0.34 0.08 0.00 -1.03 0.00 0.00 41.12 40.34 1i1e n ASP 1201CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1i1e n GLU 1202N -1.34 0.01 -4.75 0.11 1.02 -1.26 -4.94 120.64 109.50 1i1e n GLU 1202Ca 0.02 -0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.91 1i1e n GLU 1202Cb 0.04 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.81 1i1e n GLU 1202CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1i1e s PHE 1203N -3.01 1.63 -0.03 -0.32 0.08 -0.47 -1.44 117.98 114.42 1i1e s PHE 1203Ca 0.09 -0.33 -0.22 0.00 0.12 0.00 0.00 56.93 56.60 1i1e s PHE 1203Cb 0.17 -1.02 -0.05 0.00 -0.57 0.00 0.00 43.02 41.55 1i1e s PHE 1203CO 0.78 0.01 0.64 0.71 -0.10 0.00 0.00 175.22 177.26 1i1e s TYR 1204N -0.57 3.64 0.00 0.36 2.02 -0.14 -4.75 117.35 117.91 1i1e s TYR 1204Ca 0.07 1.22 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 1i1e s TYR 1204Cb -0.08 -2.69 0.00 0.00 -0.40 0.00 0.00 41.96 38.79 1i1e s TYR 1204CO 0.00 0.24 0.33 0.27 -1.57 0.00 0.00 175.55 174.82 1i1e n ASN 1205N 3.17 0.66 -4.66 2.29 0.23 -1.26 -2.18 115.26 113.51 1i1e n ASN 1205Ca -0.04 -0.92 -0.35 0.00 -0.53 0.00 0.00 54.58 52.74 1i1e n ASN 1205Cb 0.51 0.10 -0.09 0.00 -2.08 0.00 0.00 39.78 38.22 1i1e n ASN 1205CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1i1e s THR 1206N -0.10 4.96 -0.01 5.53 2.01 -1.26 -4.65 115.64 122.13 1i1e s THR 1206Ca 0.00 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.10 1i1e s THR 1206Cb 0.00 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 1i1e s THR 1206CO 0.00 0.45 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.52 1i1e s ILE 1207N 0.38 2.33 -0.26 1.82 1.01 -0.04 -4.20 121.20 122.25 1i1e s ILE 1207Ca 0.04 -1.09 -0.06 0.00 0.00 0.00 0.00 60.65 59.54 1i1e s ILE 1207Cb -0.12 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1i1e s ILE 1207CO -0.00 0.52 0.04 -1.58 0.00 0.00 0.00 174.94 173.92 1i1e s GLN 1208N -0.83 3.33 -0.02 2.79 0.74 0.03 0.88 119.66 126.58 1i1e s GLN 1208Ca 0.11 -0.68 -0.30 0.00 0.05 0.00 0.00 55.36 54.54 1i1e s GLN 1208Cb -0.10 -3.26 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 1i1e s GLN 1208CO 0.00 -0.30 1.09 -1.50 -0.55 0.00 0.00 175.29 174.03 1i1e s ILE 1209N 1.53 4.52 0.45 -2.34 2.07 -0.59 -1.67 121.20 125.16 1i1e s ILE 1209Ca 0.04 1.81 0.04 0.00 -1.41 0.00 0.00 60.65 61.14 1i1e s ILE 1209Cb -0.16 -4.16 -0.05 0.00 0.13 0.00 0.00 42.46 38.22 1i1e s ILE 1209CO 0.01 0.08 0.01 -0.54 -1.91 0.00 0.00 174.94 172.59 1i1e s LYS 1210N 1.54 2.05 -0.32 3.50 -0.14 0.67 -0.20 119.74 126.84 1i1e s LYS 1210Ca 0.54 -2.23 0.02 0.00 -1.36 0.00 0.00 55.97 52.93 1i1e s LYS 1210Cb -0.23 -1.52 0.15 0.00 -1.68 0.00 0.00 37.83 34.55 1i1e s LYS 1210CO 0.24 -0.21 0.36 -2.00 -0.76 0.00 0.00 175.35 172.98 1i1e s GLU 1211N -3.79 0.47 0.22 1.68 2.56 -1.26 -1.93 118.70 116.65 1i1e s GLU 1211Ca 0.22 -0.36 0.23 0.00 0.00 0.00 0.00 54.97 55.06 1i1e s GLU 1211Cb 0.06 -0.59 0.11 0.00 2.00 0.00 0.00 34.13 35.70 1i1e s GLU 1211CO 0.11 -1.10 1.17 1.88 -0.56 0.00 0.00 175.26 176.76 1i1e h TYR 1212N 7.77 0.00 -3.30 5.30 0.05 -1.94 -3.46 116.97 121.39 1i1e h TYR 1212Ca -0.05 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.20 1i1e h TYR 1212Cb 1.08 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.83 1i1e h TYR 1212CO 0.29 0.00 0.55 0.34 -1.05 0.00 0.00 178.16 178.29 1i1e s ASP 1213N -5.26 7.11 0.16 3.88 -1.08 -1.26 -4.92 116.67 115.30 1i1e s ASP 1213Ca 0.02 2.06 0.20 0.00 -0.52 0.00 0.00 52.55 54.31 1i1e s ASP 1213Cb 0.10 -2.59 -0.04 0.00 -1.46 0.00 0.00 42.92 38.93 1i1e s ASP 1213CO 0.76 -0.42 0.99 -0.33 0.52 0.00 0.00 175.17 176.70 1i1e h GLU 1214N 6.29 0.00 -6.79 4.34 5.08 -1.98 -3.47 114.58 118.05 1i1e h GLU 1214Ca -0.42 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.47 1i1e h GLU 1214Cb 1.21 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.50 1i1e h GLU 1214CO 0.79 0.12 -0.02 -0.65 -1.00 0.00 0.00 179.01 178.25 1i1e s GLN 1215N -3.18 3.18 0.32 2.33 -1.52 -1.26 -5.03 119.66 114.50 1i1e s GLN 1215Ca -0.01 -0.25 -0.29 0.00 -1.95 0.00 0.00 55.36 52.86 1i1e s GLN 1215Cb 0.09 -2.49 -0.12 0.00 -0.22 0.00 0.00 33.01 30.28 1i1e s GLN 1215CO 0.79 -0.28 1.49 -2.30 -0.25 0.00 0.00 175.29 174.74 1i1e n PRO 1216N -2.17 2.51 -3.49 2.91 -0.02 -1.26 -5.00 135.00 128.49 1i1e n PRO 1216Ca 0.01 0.89 -0.10 0.00 -2.02 0.00 0.00 63.50 62.28 1i1e n PRO 1216Cb 0.57 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1i1e n PRO 1216CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i1e s THR 1217N -0.52 0.00 -2.14 3.45 -1.32 -1.26 -5.03 115.64 108.82 1i1e s THR 1217Ca 0.60 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.26 1i1e s THR 1217Cb -0.52 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.59 1i1e s THR 1217CO 0.55 0.00 1.04 -1.22 -2.21 0.00 0.00 174.62 172.79 1i1e n TYR 1218N -0.14 0.00 -2.04 9.09 4.01 -1.26 -4.83 117.16 121.98 1i1e n TYR 1218Ca -0.11 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.33 1i1e n TYR 1218Cb 0.62 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.66 1i1e n TYR 1218CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1i1e s SER 1219N -1.58 6.12 0.20 7.72 0.01 -1.26 -4.65 113.70 120.26 1i1e s SER 1219Ca 0.20 1.26 -0.13 0.00 1.31 0.00 0.00 55.95 58.59 1i1e s SER 1219Cb 0.15 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1i1e s SER 1219CO 0.26 -0.88 0.43 0.00 0.41 0.00 0.00 173.24 173.46 1i1e s GLN 1221N -3.96 1.46 -0.22 0.00 1.11 -0.81 -0.97 119.66 116.28 1i1e s GLN 1221Ca 0.17 -1.55 0.01 0.00 0.01 0.00 0.00 55.36 54.00 1i1e s GLN 1221Cb 0.01 -1.62 0.03 0.00 -1.01 0.00 0.00 33.01 30.42 1i1e s GLN 1221CO 0.02 0.33 -0.15 -0.51 0.01 0.00 0.00 175.29 174.99 1i1e s LEU 1222N -2.90 2.71 -0.13 2.90 1.43 -1.26 -0.23 118.68 121.20 1i1e s LEU 1222Ca 0.21 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 1i1e s LEU 1222Cb -0.06 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1i1e s LEU 1222CO 0.10 -0.08 -0.06 -0.22 0.23 0.00 0.00 176.35 176.32 1i1e s LEU 1223N 1.23 3.18 -0.25 1.79 2.96 -0.67 -1.23 118.68 125.68 1i1e s LEU 1223Ca -0.00 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.68 1i1e s LEU 1223Cb -0.16 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 1i1e s LEU 1223CO -0.09 0.23 0.20 -0.36 -1.32 0.00 0.00 176.35 175.01 1i1e s PHE 1224N 0.00 3.28 0.17 5.38 0.40 0.08 -0.79 117.98 126.51 1i1e s PHE 1224Ca -0.00 0.23 0.11 0.00 -0.60 0.00 0.00 56.93 56.67 1i1e s PHE 1224Cb -0.13 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1i1e s PHE 1224CO 0.03 -0.03 -0.25 0.15 0.70 0.00 0.00 175.22 175.82 1i1e s LYS 1225N 1.37 1.45 0.16 0.44 1.02 -1.26 0.03 119.74 122.96 1i1e s LYS 1225Ca 0.09 -1.45 -0.25 0.00 0.02 0.00 0.00 55.97 54.37 1i1e s LYS 1225Cb -0.15 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 35.37 1i1e s LYS 1225CO 0.07 0.41 1.58 -0.22 -0.92 0.00 0.00 175.35 176.26 1i1e h LYS 1226N 3.45 -0.26 -3.13 1.68 3.64 -1.68 -3.45 116.57 116.82 1i1e h LYS 1226Ca -0.48 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1i1e h LYS 1226Cb 1.19 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.99 1i1e h LYS 1226CO 0.45 -0.17 0.14 0.16 -2.27 0.00 0.00 179.45 177.76 1i1e s ASP 1227N -5.10 -0.33 0.09 4.20 -4.77 -1.26 -5.01 116.67 104.49 1i1e s ASP 1227Ca -0.15 -0.43 -0.20 0.00 -3.30 0.00 0.00 52.55 48.48 1i1e s ASP 1227Cb 0.13 0.64 -0.06 0.00 -1.09 0.00 0.00 42.92 42.54 1i1e s ASP 1227CO 0.66 -1.15 1.34 -0.33 0.70 0.00 0.00 175.17 176.40 1i1e h GLU 1228N 2.08 -0.12 0.16 2.11 3.07 -1.98 -2.94 114.58 116.96 1i1e h GLU 1228Ca -0.26 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.62 1i1e h GLU 1228Cb 1.27 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.18 1i1e h GLU 1228CO 0.32 -0.08 -0.28 0.93 -1.40 0.00 0.00 179.01 178.50 1i1e h GLU 1229N -0.12 -0.50 -6.24 2.33 5.08 -2.00 -3.44 114.58 109.69 1i1e h GLU 1229Ca 0.07 0.03 -0.63 0.00 -1.00 0.00 0.00 59.36 57.84 1i1e h GLU 1229Cb 0.31 0.11 0.12 0.00 0.50 0.00 0.00 28.75 29.80 1i1e h GLU 1229CO -0.48 -0.33 -0.28 0.45 -1.00 0.00 0.00 179.01 177.37 1i1e n SER 1230N -5.39 -0.29 -1.14 1.42 2.88 -1.11 -4.85 113.62 105.14 1i1e n SER 1230Ca -0.07 1.10 0.08 0.00 -1.33 0.00 0.00 58.87 58.65 1i1e n SER 1230Cb 0.30 -1.10 0.26 0.00 -0.75 0.00 0.00 64.21 62.91 1i1e n SER 1230CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1i1e n THR 1231N -0.11 1.03 -2.84 2.46 -2.24 -1.26 -4.72 114.28 106.60 1i1e n THR 1231Ca 0.13 -0.81 -0.43 0.00 -2.27 0.00 0.00 64.05 60.68 1i1e n THR 1231Cb 0.31 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1i1e n THR 1231CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i1e s ASP 1232N -0.91 6.50 -0.20 3.42 -1.08 -1.26 -5.03 116.67 118.11 1i1e s ASP 1232Ca 0.38 0.12 -0.18 0.00 -0.52 0.00 0.00 52.55 52.35 1i1e s ASP 1232Cb 0.22 -2.44 -0.03 0.00 -1.46 0.00 0.00 42.92 39.20 1i1e s ASP 1232CO 0.22 -1.03 0.48 -1.61 0.52 0.00 0.00 175.17 173.76 1i1e s GLU 1233N 3.69 4.19 0.03 4.34 2.02 -1.26 -1.84 118.70 129.87 1i1e s GLU 1233Ca 0.36 0.36 -0.16 0.00 0.02 0.00 0.00 54.97 55.55 1i1e s GLU 1233Cb -0.10 -3.55 -0.34 0.00 0.10 0.00 0.00 34.13 30.23 1i1e s GLU 1233CO 0.26 -0.11 1.02 0.82 0.02 0.00 0.00 175.26 177.27 1i1e h ILE 1234N 5.08 1.29 0.00 -1.63 1.08 -0.73 -3.48 117.51 119.11 1i1e h ILE 1234Ca -0.35 -2.63 0.00 0.00 -0.39 0.00 0.00 64.86 61.49 1i1e h ILE 1234Cb 1.16 2.97 0.00 0.00 -3.07 0.00 0.00 36.82 37.88 1i1e h ILE 1234CO 0.73 0.79 0.00 0.61 -0.69 0.00 0.00 178.15 179.60 1i1e n GLY 1235N 1.64 0.38 3.65 5.37 0.00 -1.13 -4.33 105.19 110.77 1i1e n GLY 1235Ca -0.16 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 1i1e n GLY 1235CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1e s LEU 1236N 0.00 3.33 0.17 0.99 1.43 -0.24 -0.74 118.68 123.62 1i1e s LEU 1236Ca 0.00 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1i1e s LEU 1236Cb 0.00 -2.05 -0.07 0.00 0.03 0.00 0.00 46.19 44.10 1i1e s LEU 1236CO 0.00 0.20 1.09 -0.63 0.23 0.00 0.00 176.35 177.24 1i1e s ILE 1237N -1.23 3.93 0.00 -0.59 1.01 -0.37 -0.54 121.20 123.41 1i1e s ILE 1237Ca 0.23 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.53 1i1e s ILE 1237Cb -0.11 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1i1e s ILE 1237CO 0.15 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1i1e n GLY 1238N 2.09 3.07 2.92 6.18 0.00 0.21 -4.29 105.19 115.38 1i1e n GLY 1238Ca 0.03 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 1i1e n GLY 1238CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1e s ILE 1239N -0.56 0.52 -0.04 -0.61 1.01 -1.25 -0.72 121.20 119.55 1i1e s ILE 1239Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.54 1i1e s ILE 1239Cb 0.00 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 1i1e s ILE 1239CO 0.00 0.20 -0.23 -2.28 0.00 0.00 0.00 174.94 172.63 1i1e s HIS 1240N 0.58 2.19 -0.09 3.97 5.65 -0.82 -4.92 115.29 121.85 1i1e s HIS 1240Ca -0.08 -0.56 -0.20 0.00 0.25 0.00 0.00 55.06 54.48 1i1e s HIS 1240Cb -0.11 -1.43 -0.04 0.00 -1.18 0.00 0.00 32.58 29.82 1i1e s HIS 1240CO 0.00 -0.14 0.54 0.50 -0.65 0.00 0.00 174.74 174.99 1i1e s ARG 1241N -0.28 4.35 0.17 2.88 3.52 -1.26 -0.57 118.95 127.75 1i1e s ARG 1241Ca 0.01 0.58 0.10 0.00 -0.13 0.00 0.00 55.73 56.29 1i1e s ARG 1241Cb -0.12 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1i1e s ARG 1241CO 0.02 0.18 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.41 1i1e s PHE 1242N 0.52 2.03 -0.16 5.12 0.40 0.65 -4.94 117.98 121.59 1i1e s PHE 1242Ca 0.29 -0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 56.07 1i1e s PHE 1242Cb -0.16 -1.02 -0.05 0.00 0.51 0.00 0.00 43.02 42.31 1i1e s PHE 1242CO 0.13 0.39 0.28 -0.47 0.70 0.00 0.00 175.22 176.25 1i1e s TYR 1243N -1.80 3.47 -0.15 0.36 5.04 -1.26 -0.72 117.35 122.28 1i1e s TYR 1243Ca 0.17 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 1i1e s TYR 1243Cb -0.07 -2.31 0.02 0.00 0.35 0.00 0.00 41.96 39.95 1i1e s TYR 1243CO 0.08 0.26 -0.13 -1.21 -1.34 0.00 0.00 175.55 173.21 1i1e s GLU 1244N 0.39 2.15 -0.33 4.97 2.02 0.24 -4.96 118.70 123.18 1i1e s GLU 1244Ca 0.16 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.64 1i1e s GLU 1244Cb -0.13 -2.06 0.10 0.00 0.10 0.00 0.00 34.13 32.14 1i1e s GLU 1244CO 0.04 -0.26 0.05 0.45 0.02 0.00 0.00 175.26 175.55 1i1e s SER 1245N 1.51 4.55 0.39 -0.19 0.15 -1.26 0.22 113.70 119.08 1i1e s SER 1245Ca 0.04 -1.97 0.08 0.00 0.70 0.00 0.00 55.95 54.80 1i1e s SER 1245Cb -0.13 -1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 62.71 1i1e s SER 1245CO -0.10 -0.38 0.29 -0.83 1.20 0.00 0.00 173.24 173.43 1i1e s GLY 1246N 1.09 2.10 0.56 9.45 0.00 0.24 -4.99 107.32 115.77 1i1e s GLY 1246Ca 0.09 -1.89 0.32 0.00 0.00 0.00 0.00 44.72 43.25 1i1e s GLY 1246CO -0.12 -1.73 1.83 0.16 0.00 0.00 0.00 173.10 173.24 1i1e h ILE 1247N 1.21 0.42 0.00 0.90 3.07 -2.06 -3.22 117.51 117.84 1i1e h ILE 1247Ca -0.42 0.00 -0.10 0.00 1.55 0.00 0.00 64.86 65.88 1i1e h ILE 1247Cb 1.26 0.50 -0.02 0.00 -0.27 0.00 0.00 36.82 38.29 1i1e h ILE 1247CO 0.61 0.00 -1.11 0.52 -1.05 0.00 0.00 178.15 177.12 1i1e n VAL 1248N -4.02 1.25 -4.09 0.16 0.31 -1.26 -5.04 118.33 105.64 1i1e n VAL 1248Ca 0.18 0.07 -0.35 0.00 -0.01 0.00 0.00 64.34 64.23 1i1e n VAL 1248Cb 1.00 -1.96 -0.07 0.00 -0.91 0.00 0.00 33.84 31.90 1i1e n VAL 1248CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1i1e s PHE 1249N -2.49 3.37 -0.17 3.52 0.40 -1.22 -5.09 117.98 116.30 1i1e s PHE 1249Ca -0.21 0.31 -0.00 0.00 -0.60 0.00 0.00 56.93 56.43 1i1e s PHE 1249Cb 0.05 -1.82 0.04 0.00 0.51 0.00 0.00 43.02 41.80 1i1e s PHE 1249CO 0.29 0.59 -0.06 -2.00 0.70 0.00 0.00 175.22 174.74 1i1e s GLU 1250N -1.32 1.51 0.14 0.44 2.12 -1.26 0.81 118.70 121.13 1i1e s GLU 1250Ca 0.18 -0.57 -0.24 0.00 0.36 0.00 0.00 54.97 54.70 1i1e s GLU 1250Cb -0.12 -2.08 0.08 0.00 0.26 0.00 0.00 34.13 32.27 1i1e s GLU 1250CO 0.08 -0.44 1.06 -1.83 -0.54 0.00 0.00 175.26 173.59 1i1e s GLU 1251N 1.60 1.11 -0.11 4.30 -1.05 0.13 -5.00 118.70 119.68 1i1e s GLU 1251Ca 0.00 -0.67 -0.05 0.00 -0.15 0.00 0.00 54.97 54.10 1i1e s GLU 1251Cb -0.15 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.84 1i1e s GLU 1251CO -0.08 -0.51 0.07 0.71 0.95 0.00 0.00 175.26 176.40 1i1e s TYR 1252N -2.56 3.38 -0.02 4.83 2.02 -1.26 0.80 117.35 124.53 1i1e s TYR 1252Ca 0.18 0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 57.22 1i1e s TYR 1252Cb -0.01 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 1i1e s TYR 1252CO 0.03 0.57 0.04 0.15 -1.57 0.00 0.00 175.55 174.76 1i1e s LYS 1253N -0.83 0.03 0.02 -0.62 1.02 0.10 -4.94 119.74 114.52 1i1e s LYS 1253Ca 0.13 0.08 -0.11 0.00 0.02 0.00 0.00 55.97 56.10 1i1e s LYS 1253Cb -0.12 -0.04 -0.05 0.00 -0.52 0.00 0.00 37.83 37.10 1i1e s LYS 1253CO 0.03 -0.04 0.35 -0.51 -0.92 0.00 0.00 175.35 174.26 1i1e s ASP 1254N 0.25 6.65 0.14 2.83 1.11 -1.26 -0.25 116.67 126.14 1i1e s ASP 1254Ca -0.02 0.78 0.05 0.00 0.18 0.00 0.00 52.55 53.54 1i1e s ASP 1254Cb -0.03 -2.18 -0.04 0.00 1.07 0.00 0.00 42.92 41.74 1i1e s ASP 1254CO -0.01 0.26 -0.12 -0.31 1.18 0.00 0.00 175.17 176.17 1i1e s TYR 1255N -1.24 1.32 -0.28 4.23 1.51 0.26 -1.51 117.35 121.65 1i1e s TYR 1255Ca 0.27 -0.65 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 1i1e s TYR 1255Cb -0.15 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.00 1i1e s TYR 1255CO 0.15 0.12 1.70 0.12 -1.11 0.00 0.00 175.55 176.52 1i1e s PHE 1256N -2.72 1.97 0.33 2.71 5.36 -0.05 -1.94 117.98 123.63 1i1e s PHE 1256Ca 0.13 0.57 0.03 0.00 -0.96 0.00 0.00 56.93 56.69 1i1e s PHE 1256Cb -0.01 -4.08 -0.05 0.00 -0.34 0.00 0.00 43.02 38.54 1i1e s PHE 1256CO 0.02 -2.94 0.10 0.00 -1.46 0.00 0.00 175.22 170.94 1i1e s ILE 1258N -3.43 2.72 -0.21 0.00 2.07 -0.88 0.68 121.20 122.16 1i1e s ILE 1258Ca 0.33 -1.06 -0.18 0.00 -1.41 0.00 0.00 60.65 58.33 1i1e s ILE 1258Cb 0.06 -2.09 0.05 0.00 0.13 0.00 0.00 42.46 40.62 1i1e s ILE 1258CO 0.15 0.44 0.54 -0.55 -1.91 0.00 0.00 174.94 173.62 1i1e s SER 1259N -1.12 -0.58 0.32 4.50 0.15 0.30 -2.58 113.70 114.69 1i1e s SER 1259Ca 0.13 1.10 0.17 0.00 0.70 0.00 0.00 55.95 58.05 1i1e s SER 1259Cb -0.10 1.11 0.34 0.00 -1.71 0.00 0.00 66.02 65.65 1i1e s SER 1259CO 0.03 -0.19 1.57 0.11 1.20 0.00 0.00 173.24 175.96 1i1e h LYS 1260N 5.41 0.00 -1.00 5.44 1.57 -1.71 -0.61 116.57 125.68 1i1e h LYS 1260Ca -0.28 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.69 1i1e h LYS 1260Cb 1.17 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.38 1i1e h LYS 1260CO 0.17 0.46 0.61 2.35 -0.57 0.00 0.00 179.45 182.47 1i1e h TRP 1261N 0.00 1.01 0.00 -1.35 7.01 -1.96 -0.49 115.95 120.18 1i1e h TRP 1261Ca -0.00 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 1i1e h TRP 1261Cb 1.18 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.93 1i1e h TRP 1261CO 0.00 0.23 -0.20 1.88 -2.79 0.00 0.00 178.44 177.56 1i1e h TYR 1262N 0.73 0.00 -0.92 2.65 0.05 -1.93 -3.13 116.97 114.42 1i1e h TYR 1262Ca 0.57 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.58 1i1e h TYR 1262Cb 0.93 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.54 1i1e h TYR 1262CO -0.00 0.20 0.42 -0.07 -1.05 0.00 0.00 178.16 177.66 1i1e h LEU 1263N 0.00 0.36 0.02 3.88 3.38 -1.30 -1.29 115.31 120.36 1i1e h LEU 1263Ca -0.00 0.16 -0.28 0.00 0.09 0.00 0.00 57.88 57.85 1i1e h LEU 1263Cb 0.39 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1i1e h LEU 1263CO 0.03 -0.01 -1.55 0.07 0.09 0.00 0.00 178.44 177.06 1i1e h LYS 1264N 0.40 0.03 -0.64 1.13 2.10 -1.71 -3.37 116.57 114.51 1i1e h LYS 1264Ca 0.59 -0.06 -0.04 0.00 -2.00 0.00 0.00 60.65 59.14 1i1e h LYS 1264Cb 1.14 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.46 1i1e h LYS 1264CO -0.54 0.69 0.25 0.93 -2.00 0.00 0.00 179.45 178.78 1i1e h GLU 1265N 0.01 0.94 0.00 0.07 4.39 -1.29 -2.63 114.58 116.08 1i1e h GLU 1265Ca -0.23 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1i1e h GLU 1265Cb 1.96 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 1i1e h GLU 1265CO 0.10 0.78 0.00 1.33 -1.16 0.00 0.00 179.01 180.05 1i1e n VAL 1266N -4.31 0.99 0.14 3.13 0.24 -0.68 -2.37 118.33 115.47 1i1e n VAL 1266Ca 0.06 0.31 0.10 0.00 -2.04 0.00 0.00 64.34 62.77 1i1e n VAL 1266Cb 0.18 -1.19 0.06 0.00 -1.47 0.00 0.00 33.84 31.41 1i1e n VAL 1266CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1i1e h LYS 1267N 0.00 0.00 -7.17 7.34 1.57 -1.67 -3.47 116.57 113.17 1i1e h LYS 1267Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1i1e h LYS 1267Cb 0.26 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.74 1i1e h LYS 1267CO 0.00 0.05 0.41 1.03 -0.57 0.00 0.00 179.45 180.36 1i1e s ARG 1268N -3.26 2.05 -0.02 3.15 0.52 -1.00 -5.02 118.95 115.37 1i1e s ARG 1268Ca 0.02 1.84 0.03 0.00 -0.52 0.00 0.00 55.73 57.11 1i1e s ARG 1268Cb 0.08 -1.81 -0.00 0.00 0.52 0.00 0.00 34.95 33.73 1i1e s ARG 1268CO 0.74 -1.93 -0.11 0.15 0.02 0.00 0.00 175.30 174.18 1i1e s LYS 1269N -3.85 1.07 0.84 3.54 -0.14 -1.26 -3.71 119.74 116.22 1i1e s LYS 1269Ca 0.76 -0.37 -0.11 0.00 -1.36 0.00 0.00 55.97 54.89 1i1e s LYS 1269Cb -0.31 -0.99 0.10 0.00 -1.68 0.00 0.00 37.83 34.95 1i1e s LYS 1269CO 0.46 0.16 1.09 -1.25 -0.76 0.00 0.00 175.35 175.05 1i1e s PRO 1270N 0.07 1.71 0.20 -1.68 0.04 -1.26 -5.07 135.00 129.00 1i1e s PRO 1270Ca -0.01 0.90 -0.32 0.00 0.04 0.00 0.00 61.00 61.61 1i1e s PRO 1270Cb -0.08 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 1i1e s PRO 1270CO 0.00 -1.95 1.71 -0.47 0.04 0.00 0.00 177.00 176.33 1i1e s TYR 1271N -2.96 2.87 -0.89 0.56 5.04 -1.24 -4.91 117.35 115.83 1i1e s TYR 1271Ca 0.62 0.36 -0.25 0.00 -2.44 0.00 0.00 57.07 55.36 1i1e s TYR 1271Cb -0.17 -4.11 0.02 0.00 0.35 0.00 0.00 41.96 38.05 1i1e s TYR 1271CO 0.56 -4.23 1.50 1.21 -1.34 0.00 0.00 175.55 173.26 1i1e s ASN 1272N 1.29 6.11 0.50 4.32 3.84 -1.26 -4.83 114.94 124.90 1i1e s ASN 1272Ca 0.75 -0.90 0.34 0.00 0.21 0.00 0.00 52.86 53.25 1i1e s ASN 1272Cb -0.49 -2.56 1.73 0.00 -0.55 0.00 0.00 41.25 39.39 1i1e s ASN 1272CO 0.32 -1.85 2.03 -0.07 -2.79 0.00 0.00 177.10 174.74 1i1e h LEU 1273N 13.88 0.00 -0.07 3.21 3.38 -1.99 -1.83 115.31 131.90 1i1e h LEU 1273Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1i1e h LEU 1273Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1i1e h LEU 1273CO 1.34 0.00 -0.24 0.29 0.09 0.00 0.00 178.44 179.92 1i1e n LYS 1274N -2.74 0.17 -1.63 1.13 4.76 -1.26 -4.57 118.16 114.03 1i1e n LYS 1274Ca -0.01 -0.07 -0.45 0.00 -2.87 0.00 0.00 58.31 54.91 1i1e n LYS 1274Cb 0.11 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.79 1i1e n LYS 1274CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1i1e n LEU 1275N -1.36 2.41 0.00 -0.35 4.77 -0.69 -3.79 117.00 117.99 1i1e n LEU 1275Ca 0.08 1.18 0.04 0.00 -0.03 0.00 0.00 56.01 57.28 1i1e n LEU 1275Cb 0.33 -1.35 0.20 0.00 -2.33 0.00 0.00 43.42 40.27 1i1e n LEU 1275CO 0.30 -1.01 0.59 0.61 -1.33 0.00 0.00 177.39 176.55 1i1e n GLY 1276N 1.38 -0.62 0.91 -0.72 0.00 -1.26 -1.90 105.19 102.98 1i1e n GLY 1276Ca 0.09 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1i1e n GLY 1276CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1e s ASN 1278N -1.57 6.55 0.29 0.00 0.02 -0.80 -4.44 114.94 114.99 1i1e s ASN 1278Ca 0.35 0.48 0.10 0.00 -1.02 0.00 0.00 52.86 52.78 1i1e s ASN 1278Cb 0.21 -2.36 -0.05 0.00 0.02 0.00 0.00 41.25 39.06 1i1e s ASN 1278CO 0.30 -0.55 -0.15 0.26 0.02 0.00 0.00 177.10 176.97 1i1e s TRP 1279N 2.76 2.23 -0.01 2.20 0.52 -0.14 -1.63 118.94 124.87 1i1e s TRP 1279Ca 0.28 -0.43 -0.01 0.00 0.02 0.00 0.00 56.10 55.95 1i1e s TRP 1279Cb -0.14 -1.09 0.00 0.00 -1.15 0.00 0.00 33.47 31.09 1i1e s TRP 1279CO 0.13 0.61 0.04 -0.65 0.02 0.00 0.00 176.95 177.09 1i1e s GLN 1280N -3.57 0.05 -0.23 4.98 -0.21 -0.32 -0.78 119.66 119.58 1i1e s GLN 1280Ca 0.30 0.03 -0.09 0.00 0.02 0.00 0.00 55.36 55.62 1i1e s GLN 1280Cb -0.02 0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.97 1i1e s GLN 1280CO 0.14 -0.01 0.13 -0.06 -2.12 0.00 0.00 175.29 173.37 1i1e s PHE 1281N -0.02 3.25 -0.26 0.91 0.40 -1.26 -0.29 117.98 120.70 1i1e s PHE 1281Ca -0.00 0.07 -0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1i1e s PHE 1281Cb -0.01 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.29 1i1e s PHE 1281CO 0.00 -0.01 0.03 0.42 0.70 0.00 0.00 175.22 176.35 1i1e s ILE 1282N 1.09 3.71 0.31 0.64 1.01 0.16 -0.07 121.20 128.05 1i1e s ILE 1282Ca 0.06 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1i1e s ILE 1282Cb -0.14 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 1i1e s ILE 1282CO 0.04 0.23 0.35 -2.16 0.00 0.00 0.00 174.94 173.39 1i1e s PRO 1283N 1.49 2.96 0.39 2.79 0.04 -1.26 -0.06 135.00 141.34 1i1e s PRO 1283Ca 0.04 -1.11 -0.27 0.00 0.04 0.00 0.00 61.00 59.70 1i1e s PRO 1283Cb -0.16 -2.64 -0.11 0.00 0.04 0.00 0.00 34.50 31.63 1i1e s PRO 1283CO 0.00 0.16 1.32 1.63 0.04 0.00 0.00 177.00 180.16 1i1e n LYS 1284N -1.44 2.14 -3.68 4.56 4.76 -1.26 -4.99 118.16 118.25 1i1e n LYS 1284Ca -0.03 0.75 -0.10 0.00 -2.87 0.00 0.00 58.31 56.07 1i1e n LYS 1284Cb 0.59 -2.43 -0.11 0.00 -1.84 0.00 0.00 35.03 31.24 1i1e n LYS 1284CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1i1e s ASP 1285N -0.39 -0.30 0.63 4.39 -1.08 -1.26 -5.01 116.67 113.65 1i1e s ASP 1285Ca 0.58 0.88 0.24 0.00 -0.52 0.00 0.00 52.55 53.73 1i1e s ASP 1285Cb -0.52 0.98 1.23 0.00 -1.46 0.00 0.00 42.92 43.15 1i1e s ASP 1285CO 0.60 -0.21 1.69 1.05 0.52 0.00 0.00 175.17 178.82 1i1e h GLU 1286N 7.68 0.00 0.00 4.34 4.11 -2.03 0.86 114.58 129.54 1i1e h GLU 1286Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1i1e h GLU 1286Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1i1e h GLU 1286CO 0.21 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.70 1i1e n GLY 1287N -1.42 -1.29 2.68 1.06 0.00 -1.26 -4.63 105.19 100.34 1i1e n GLY 1287Ca 0.05 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1i1e n GLY 1287CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1i1e s TRP 1288N -2.71 0.42 -0.03 1.61 -0.11 0.30 -0.17 118.94 118.25 1i1e s TRP 1288Ca 0.23 -0.24 0.05 0.00 1.22 0.00 0.00 56.10 57.35 1i1e s TRP 1288Cb 0.19 -0.72 -0.01 0.00 -1.50 0.00 0.00 33.47 31.43 1i1e s TRP 1288CO 0.45 -0.41 -0.17 0.95 -4.62 0.00 0.00 176.95 173.16 1i1e s THR 1289N 2.06 1.38 0.00 5.86 -4.23 -1.26 -4.44 115.64 115.00 1i1e s THR 1289Ca 0.03 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1i1e s THR 1289Cb -0.14 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.52 1i1e s THR 1289CO -0.06 0.40 0.21 -1.84 -0.54 0.00 0.00 174.62 172.78