#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8e s SER 2 N 0.00 5.80 -0.33 3.17 0.15 -1.26 -5.07 113.70 116.16 3i8e s SER 2 Ca 0.00 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.64 3i8e s SER 2 Cb 0.00 -2.07 0.10 0.00 -1.71 0.00 0.00 66.02 62.34 3i8e s SER 2 CO 0.00 -0.03 0.04 -0.31 1.20 0.00 0.00 173.24 174.14 3i8e s TYR 3 N 1.63 3.60 0.09 3.44 2.02 -1.26 -4.51 117.35 122.35 3i8e s TYR 3 Ca 0.07 -2.88 0.06 0.00 -0.37 0.00 0.00 57.07 53.95 3i8e s TYR 3 Cb -0.15 -2.78 -0.03 0.00 -0.40 0.00 0.00 41.96 38.59 3i8e s TYR 3 CO 0.08 -0.94 -0.17 -0.80 -1.57 0.00 0.00 175.55 172.16 3i8e s ASN 4 N 0.96 2.04 -0.02 2.29 0.01 -1.20 0.19 114.94 119.21 3i8e s ASN 4 Ca 0.10 -0.67 0.02 0.00 -0.71 0.00 0.00 52.86 51.60 3i8e s ASN 4 Cb -0.19 -0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.39 3i8e s ASN 4 CO -0.09 -0.03 -0.06 -0.47 -1.51 0.00 0.00 177.10 174.94 3i8e s TYR 5 N -1.34 0.69 0.04 2.20 5.04 0.80 -0.84 117.35 123.93 3i8e s TYR 5 Ca 0.03 -0.15 0.06 0.00 -2.44 0.00 0.00 57.07 54.56 3i8e s TYR 5 Cb -0.09 -0.52 -0.02 0.00 0.35 0.00 0.00 41.96 41.68 3i8e s TYR 5 CO 0.03 -0.08 -0.16 0.14 -1.34 0.00 0.00 175.55 174.14 3i8e s VAL 6 N 0.26 1.28 -0.09 3.14 -7.23 -0.45 -0.88 120.40 116.43 3i8e s VAL 6 Ca -0.03 -1.03 -0.05 0.00 -1.81 0.00 0.00 61.98 59.06 3i8e s VAL 6 Cb -0.08 -1.14 0.04 0.00 0.56 0.00 0.00 36.38 35.77 3i8e s VAL 6 CO -0.00 0.09 0.21 -0.69 -0.31 0.00 0.00 175.10 174.40 3i8e s VAL 7 N -0.79 -0.04 -0.60 1.32 1.01 -0.74 0.25 120.40 120.81 3i8e s VAL 7 Ca 0.04 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.90 3i8e s VAL 7 Cb -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 3i8e s VAL 7 CO 0.01 0.06 1.78 -0.89 0.00 0.00 0.00 175.10 176.07 3i8e s THR 8 N 1.16 3.42 -1.37 3.92 2.01 -1.26 -0.73 115.64 122.78 3i8e s THR 8 Ca -0.09 0.26 0.25 0.00 0.31 0.00 0.00 61.69 62.43 3i8e s THR 8 Cb -0.10 -4.03 0.40 0.00 0.01 0.00 0.00 72.50 68.78 3i8e s THR 8 CO -0.07 -0.97 1.83 0.00 -0.69 0.00 0.00 174.62 174.72 3i8e n ALA 9 N 12.14 2.24 -3.37 7.40 0.00 0.10 -4.74 120.51 134.29 3i8e n ALA 9 Ca 0.19 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.54 3i8e n ALA 9 Cb 0.51 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 3i8e n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i8e s GLN 10 N -2.63 0.07 0.97 0.00 2.00 -0.94 -4.89 119.66 114.23 3i8e s GLN 10 Ca 0.22 0.15 -0.11 0.00 -2.00 0.00 0.00 55.36 53.61 3i8e s GLN 10 Cb 0.17 0.06 0.18 0.00 0.80 0.00 0.00 33.01 34.22 3i8e s GLN 10 CO 0.39 -0.02 1.09 0.15 -0.50 0.00 0.00 175.29 176.40 3i8e s LYS 11 N 1.71 0.60 0.12 1.67 1.02 -1.26 -1.89 119.74 121.72 3i8e s LYS 11 Ca -0.03 1.04 -0.31 0.00 0.02 0.00 0.00 55.97 56.69 3i8e s LYS 11 Cb -0.02 -1.72 -0.10 0.00 -0.52 0.00 0.00 37.83 35.48 3i8e s LYS 11 CO -0.14 -2.75 1.72 -1.25 -0.92 0.00 0.00 175.35 172.01 3i8e s PRO 12 N -4.72 4.17 0.00 -1.68 0.04 -1.26 -4.20 135.00 127.34 3i8e s PRO 12 Ca 0.66 2.48 0.24 0.00 0.04 0.00 0.00 61.00 64.41 3i8e s PRO 12 Cb -0.21 -3.47 0.43 0.00 0.04 0.00 0.00 34.50 31.29 3i8e s PRO 12 CO 0.59 -0.76 1.40 0.25 0.04 0.00 0.00 177.00 178.52 3i8e n THR 13 N 4.53 0.29 -2.66 1.26 -2.24 -1.13 -4.75 114.28 109.57 3i8e n THR 13 Ca 0.16 -0.60 -0.41 0.00 -2.27 0.00 0.00 64.05 60.93 3i8e n THR 13 Cb 0.39 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 69.62 3i8e n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8e s ALA 14 N -1.71 3.25 -0.24 6.98 0.00 -0.72 -4.68 121.76 124.64 3i8e s ALA 14 Ca 0.35 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 3i8e s ALA 14 Cb 0.21 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3i8e s ALA 14 CO 0.31 -0.15 0.55 0.08 0.00 0.00 0.00 175.76 176.54 3i8e s VAL 15 N 0.37 5.05 -0.44 0.00 1.01 -1.07 -4.45 120.40 120.87 3i8e s VAL 15 Ca 0.50 0.98 0.14 0.00 0.00 0.00 0.00 61.98 63.60 3i8e s VAL 15 Cb -0.24 -3.86 -0.18 0.00 0.00 0.00 0.00 36.38 32.09 3i8e s VAL 15 CO 0.30 0.10 0.50 0.59 0.00 0.00 0.00 175.10 176.59 3i8e n ASN 16 N 5.36 1.02 -3.52 3.32 3.02 -0.78 -4.25 115.26 119.42 3i8e n ASN 16 Ca -0.03 -0.54 -0.08 0.00 -0.03 0.00 0.00 54.58 53.91 3i8e n ASN 16 Cb 0.50 1.24 -0.02 0.00 -0.61 0.00 0.00 39.78 40.88 3i8e n ASN 16 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3i8e s GLY 17 N -2.81 -0.44 0.19 7.41 0.00 -0.96 -4.84 107.32 105.88 3i8e s GLY 17 Ca 0.02 1.03 -0.22 0.00 0.00 0.00 0.00 44.72 45.54 3i8e s GLY 17 CO 0.59 0.34 0.62 0.00 0.00 0.00 0.00 173.10 174.65 3i8e s VAL 19 N -3.80 0.00 0.30 0.00 0.11 -1.03 -4.89 120.40 111.09 3i8e s VAL 19 Ca 0.04 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.19 3i8e s VAL 19 Cb -0.02 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 3i8e s VAL 19 CO -0.07 0.00 -0.07 0.28 -3.33 0.00 0.00 175.10 171.91 3i8e s THR 20 N -0.90 2.74 -5.00 5.04 -1.32 -1.26 -0.55 115.64 114.39 3i8e s THR 20 Ca -0.03 -2.12 0.00 0.00 -1.21 0.00 0.00 61.69 58.32 3i8e s THR 20 Cb -0.01 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 3i8e s THR 20 CO 0.03 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 3i8e n GLY 21 N -0.82 0.04 3.10 6.08 0.00 -1.20 -4.87 105.19 107.53 3i8e n GLY 21 Ca -0.05 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 3i8e n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i8e s HIS 22 N -2.57 3.50 -0.10 1.61 3.76 -1.26 -1.48 115.29 118.75 3i8e s HIS 22 Ca 0.00 -2.58 -0.02 0.00 -0.15 0.00 0.00 55.06 52.32 3i8e s HIS 22 Cb 0.00 -3.20 -0.06 0.00 1.11 0.00 0.00 32.58 30.44 3i8e s HIS 22 CO 0.00 -0.91 -0.11 0.34 -0.85 0.00 0.00 174.74 173.21 3i8e n PHE 23 N 4.09 0.00 0.00 1.40 7.35 -1.26 -0.65 117.46 128.38 3i8e n PHE 23 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 3i8e n PHE 23 Cb 0.40 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 39.84 3i8e n PHE 23 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3i8e n THR 24 N -3.09 0.00 -4.25 -2.13 -1.04 -1.26 -4.47 114.28 98.04 3i8e n THR 24 Ca -0.19 1.08 -0.28 0.00 -2.04 0.00 0.00 64.05 62.62 3i8e n THR 24 Cb 0.67 -2.01 -0.09 0.00 -1.82 0.00 0.00 70.33 67.07 3i8e n THR 24 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3i8e s SER 25 N -2.20 4.37 0.32 8.00 0.01 -1.26 -4.95 113.70 117.98 3i8e s SER 25 Ca 0.00 -0.47 0.09 0.00 1.31 0.00 0.00 55.95 56.87 3i8e s SER 25 Cb 0.00 -0.80 0.87 0.00 0.21 0.00 0.00 66.02 66.29 3i8e s SER 25 CO 0.00 0.13 1.72 0.00 0.41 0.00 0.00 173.24 175.51 3i8e h ALA 26 N 3.19 1.74 -3.36 1.44 0.00 -1.87 -3.20 119.26 117.20 3i8e h ALA 26 Ca -0.48 0.13 -0.68 0.00 0.00 0.00 0.00 54.91 53.89 3i8e h ALA 26 Cb 1.19 0.04 -0.32 0.00 0.00 0.00 0.00 17.79 18.70 3i8e h ALA 26 CO 0.54 -0.29 -0.71 -1.83 0.00 0.00 0.00 179.25 176.96 3i8e s GLU 27 N -5.79 2.64 -0.12 0.00 4.04 -1.26 -4.90 118.70 113.31 3i8e s GLU 27 Ca -0.11 -1.12 -0.33 0.00 0.04 0.00 0.00 54.97 53.45 3i8e s GLU 27 Cb 0.27 -3.14 0.13 0.00 0.02 0.00 0.00 34.13 31.41 3i8e s GLU 27 CO 0.79 -0.53 1.14 -0.51 -1.84 0.00 0.00 175.26 174.32 3i8e s ASP 28 N 1.31 -0.17 -0.13 0.83 1.11 -1.21 -5.07 116.67 113.32 3i8e s ASP 28 Ca -0.02 -0.03 0.01 0.00 0.18 0.00 0.00 52.55 52.68 3i8e s ASP 28 Cb -0.18 0.21 -0.01 0.00 1.07 0.00 0.00 42.92 44.01 3i8e s ASP 28 CO -0.02 -0.34 -0.16 -0.22 1.18 0.00 0.00 175.17 175.60 3i8e s LEU 29 N -2.36 2.47 0.03 1.23 2.96 -1.26 -4.35 118.68 117.39 3i8e s LEU 29 Ca 0.09 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.64 3i8e s LEU 29 Cb -0.00 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 3i8e s LEU 29 CO -0.05 0.13 -0.23 0.20 -1.32 0.00 0.00 176.35 175.08 3i8e s ASN 30 N 0.56 2.68 -0.19 3.68 0.01 -0.55 -1.30 114.94 119.83 3i8e s ASN 30 Ca -0.10 -0.50 -0.03 0.00 -0.71 0.00 0.00 52.86 51.51 3i8e s ASN 30 Cb -0.16 -0.25 -0.02 0.00 0.41 0.00 0.00 41.25 41.23 3i8e s ASN 30 CO 0.04 0.22 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.58 3i8e s LEU 31 N -1.01 2.99 -0.60 0.60 2.96 -1.06 -3.26 118.68 119.30 3i8e s LEU 31 Ca 0.09 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 3i8e s LEU 31 Cb -0.09 -1.74 0.16 0.00 0.50 0.00 0.00 46.19 45.01 3i8e s LEU 31 CO 0.01 0.05 0.43 -0.76 -1.32 0.00 0.00 176.35 174.76 3i8e s LEU 32 N 1.05 5.39 -0.16 -0.68 1.02 0.29 -0.71 118.68 124.88 3i8e s LEU 32 Ca 0.01 -2.68 -0.27 0.00 0.02 0.00 0.00 54.13 51.22 3i8e s LEU 32 Cb -0.15 -1.89 -0.01 0.00 0.02 0.00 0.00 46.19 44.16 3i8e s LEU 32 CO 0.00 -0.43 0.89 -0.63 0.02 0.00 0.00 176.35 176.20 3i8e s ILE 33 N 0.20 4.84 -0.30 -0.59 1.01 -0.87 -2.47 121.20 123.02 3i8e s ILE 33 Ca 0.15 1.76 -0.12 0.00 0.00 0.00 0.00 60.65 62.44 3i8e s ILE 33 Cb -0.20 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 3i8e s ILE 33 CO -0.04 0.00 0.23 0.00 0.00 0.00 0.00 174.94 175.14 3i8e s ALA 34 N 2.21 3.53 0.00 9.38 0.00 -0.28 -0.64 121.76 135.95 3i8e s ALA 34 Ca 0.41 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3i8e s ALA 34 Cb -0.17 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3i8e s ALA 34 CO 0.13 -0.70 0.00 1.63 0.00 0.00 0.00 175.76 176.82 3i8e n LYS 35 N 5.12 0.00 -0.01 0.00 4.76 -0.73 -1.87 118.16 125.43 3i8e n LYS 35 Ca -0.13 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.28 3i8e n LYS 35 Cb 0.51 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.69 3i8e n LYS 35 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3i8e n ASN 36 N 0.00 1.16 -0.29 4.39 5.15 -1.26 -3.90 115.26 120.50 3i8e n ASN 36 Ca 0.00 0.18 0.03 0.00 -0.60 0.00 0.00 54.58 54.19 3i8e n ASN 36 Cb 0.00 -0.47 0.05 0.00 -0.53 0.00 0.00 39.78 38.84 3i8e n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3i8e n THR 37 N -3.62 0.53 -4.17 -0.44 -2.24 -1.26 -0.61 114.28 102.48 3i8e n THR 37 Ca -0.05 -0.77 -0.34 0.00 -2.27 0.00 0.00 64.05 60.62 3i8e n THR 37 Cb 0.19 0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 3i8e n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i8e s ARG 38 N -0.76 3.09 -0.34 -0.78 1.81 -1.26 -0.01 118.95 120.69 3i8e s ARG 38 Ca 0.10 -0.40 0.03 0.00 -1.72 0.00 0.00 55.73 53.73 3i8e s ARG 38 Cb 0.06 -2.88 0.10 0.00 -0.45 0.00 0.00 34.95 31.78 3i8e s ARG 38 CO 0.08 0.69 0.07 -1.17 -0.68 0.00 0.00 175.30 174.29 3i8e s LEU 39 N -1.30 4.17 0.09 2.53 2.96 -0.39 -1.77 118.68 124.97 3i8e s LEU 39 Ca 0.18 -2.09 -0.28 0.00 -0.22 0.00 0.00 54.13 51.72 3i8e s LEU 39 Cb -0.12 -1.45 -0.06 0.00 0.50 0.00 0.00 46.19 45.06 3i8e s LEU 39 CO 0.08 -0.38 0.89 -1.61 -1.32 0.00 0.00 176.35 174.00 3i8e s GLU 40 N 1.00 4.62 -0.18 1.98 8.01 0.18 -1.95 118.70 132.37 3i8e s GLU 40 Ca 0.11 1.31 -0.00 0.00 0.01 0.00 0.00 54.97 56.39 3i8e s GLU 40 Cb -0.19 -3.37 0.01 0.00 -4.31 0.00 0.00 34.13 26.27 3i8e s GLU 40 CO -0.11 0.24 -0.15 0.42 0.01 0.00 0.00 175.26 175.67 3i8e s ILE 41 N -0.04 2.52 0.31 -1.63 1.01 -0.01 -2.05 121.20 121.32 3i8e s ILE 41 Ca 0.44 -0.79 0.10 0.00 0.00 0.00 0.00 60.65 60.39 3i8e s ILE 41 Cb -0.22 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 3i8e s ILE 41 CO 0.27 0.51 -0.07 -0.31 0.00 0.00 0.00 174.94 175.33 3i8e s TYR 42 N 1.21 2.47 -0.03 3.97 1.51 0.11 -1.33 117.35 125.27 3i8e s TYR 42 Ca 0.02 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 3i8e s TYR 42 Cb -0.14 -1.27 -0.00 0.00 -0.11 0.00 0.00 41.96 40.44 3i8e s TYR 42 CO -0.07 0.59 -0.13 0.08 -1.11 0.00 0.00 175.55 174.91 3i8e s VAL 43 N -2.50 1.10 0.33 0.71 1.01 0.76 -2.56 120.40 119.24 3i8e s VAL 43 Ca 0.32 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 3i8e s VAL 43 Cb -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 3i8e s VAL 43 CO 0.18 0.33 0.81 -0.69 0.00 0.00 0.00 175.10 175.72 3i8e s VAL 44 N 0.10 4.54 0.25 2.92 1.01 -0.42 0.92 120.40 129.72 3i8e s VAL 44 Ca -0.03 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.24 3i8e s VAL 44 Cb -0.10 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3i8e s VAL 44 CO 0.01 -0.10 0.22 0.35 0.00 0.00 0.00 175.10 175.58 3i8e n THR 45 N -0.10 0.00 0.08 3.92 -2.24 0.62 -4.81 114.28 111.75 3i8e n THR 45 Ca 0.03 -1.78 -0.03 0.00 -2.27 0.00 0.00 64.05 60.00 3i8e n THR 45 Cb 0.53 0.90 0.21 0.00 -2.10 0.00 0.00 70.33 69.87 3i8e n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8e h ALA 46 N 1.80 1.08 0.01 6.98 0.00 -2.03 -3.27 119.26 123.84 3i8e h ALA 46 Ca -0.17 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.11 3i8e h ALA 46 Cb 0.89 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.60 3i8e h ALA 46 CO 0.25 0.59 -0.82 1.49 0.00 0.00 0.00 179.25 180.76 3i8e h GLU 47 N 0.23 0.54 0.00 0.00 4.22 -2.01 -3.50 114.58 114.05 3i8e h GLU 47 Ca 0.02 -0.59 0.00 0.00 0.08 0.00 0.00 59.36 58.87 3i8e h GLU 47 Cb 0.82 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3i8e h GLU 47 CO 0.06 1.22 0.00 0.41 -2.18 0.00 0.00 179.01 178.52 3i8e n GLY 48 N 1.12 -0.47 3.45 1.92 0.00 -1.23 -5.13 105.19 104.84 3i8e n GLY 48 Ca -0.11 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3i8e n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8e s LEU 49 N 0.00 2.99 -0.42 0.99 1.02 -1.26 -0.27 118.68 121.72 3i8e s LEU 49 Ca 0.00 -0.21 -0.18 0.00 0.02 0.00 0.00 54.13 53.76 3i8e s LEU 49 Cb 0.00 -1.69 0.02 0.00 0.02 0.00 0.00 46.19 44.54 3i8e s LEU 49 CO 0.00 0.20 0.47 -0.60 0.02 0.00 0.00 176.35 176.44 3i8e s ARG 50 N 0.19 3.15 0.30 1.70 3.52 0.26 -4.92 118.95 123.15 3i8e s ARG 50 Ca -0.05 -0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 54.59 3i8e s ARG 50 Cb -0.14 -3.96 -0.10 0.00 -1.56 0.00 0.00 34.95 29.19 3i8e s ARG 50 CO 0.04 -0.87 1.31 -2.14 -0.81 0.00 0.00 175.30 172.83 3i8e s PRO 51 N 2.26 4.37 0.00 5.12 0.02 -1.26 -0.17 135.00 145.34 3i8e s PRO 51 Ca 0.14 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.34 3i8e s PRO 51 Cb -0.16 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.26 3i8e s PRO 51 CO 0.15 -0.20 0.00 0.28 -0.33 0.00 0.00 177.00 176.90 3i8e n VAL 52 N 1.24 0.00 -3.35 3.83 0.31 -0.44 -4.92 118.33 115.00 3i8e n VAL 52 Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.37 3i8e n VAL 52 Cb 0.42 -0.26 -0.03 0.00 -0.91 0.00 0.00 33.84 33.06 3i8e n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i8e s LYS 53 N -1.32 0.40 -0.06 5.55 2.47 -1.14 -5.03 119.74 120.62 3i8e s LYS 53 Ca 0.00 0.89 -0.12 0.00 -1.56 0.00 0.00 55.97 55.18 3i8e s LYS 53 Cb 0.00 0.52 -0.05 0.00 -1.46 0.00 0.00 37.83 36.84 3i8e s LYS 53 CO 0.00 -0.27 0.29 -2.00 0.16 0.00 0.00 175.35 173.53 3i8e s GLU 54 N 2.75 3.75 0.21 4.03 -6.30 -1.26 -0.83 118.70 121.05 3i8e s GLU 54 Ca 0.03 0.17 0.01 0.00 -2.50 0.00 0.00 54.97 52.67 3i8e s GLU 54 Cb -0.10 -3.22 -0.05 0.00 0.00 0.00 0.00 34.13 30.76 3i8e s GLU 54 CO -0.17 0.70 0.08 0.14 0.02 0.00 0.00 175.26 176.02 3i8e s VAL 55 N -0.95 0.40 0.45 3.70 -7.23 -0.82 -5.00 120.40 110.95 3i8e s VAL 55 Ca 0.20 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.45 3i8e s VAL 55 Cb -0.15 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 3i8e s VAL 55 CO 0.09 -0.18 0.34 -0.83 -0.31 0.00 0.00 175.10 174.21 3i8e s GLY 56 N -3.21 2.24 -0.05 2.32 0.00 -1.26 -1.26 107.32 106.10 3i8e s GLY 56 Ca 0.33 -1.80 -0.07 0.00 0.00 0.00 0.00 44.72 43.18 3i8e s GLY 56 CO 0.09 -1.81 0.19 1.06 0.00 0.00 0.00 173.10 172.63 3i8e s MET 57 N -4.12 0.32 -0.16 2.90 -1.94 0.98 -4.74 119.30 112.54 3i8e s MET 57 Ca 0.43 0.07 -0.04 0.00 -1.71 0.00 0.00 55.69 54.44 3i8e s MET 57 Cb -0.01 0.14 -0.11 0.00 2.01 0.00 0.00 34.83 36.86 3i8e s MET 57 CO 0.25 -0.06 3.11 0.66 -0.01 0.00 0.00 175.02 178.98 3i8e n TYR 58 N 2.49 0.60 -3.60 -0.03 4.01 -1.26 -4.82 117.16 114.55 3i8e n TYR 58 Ca -0.16 -1.62 -0.05 0.00 -0.16 0.00 0.00 57.90 55.91 3i8e n TYR 58 Cb 0.58 -1.39 -0.03 0.00 -0.31 0.00 0.00 39.34 38.18 3i8e n TYR 58 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3i8e s GLY 59 N 1.36 -0.21 -0.32 2.72 0.00 -1.26 -4.67 107.32 104.94 3i8e s GLY 59 Ca 0.56 1.92 -0.29 0.00 0.00 0.00 0.00 44.72 46.91 3i8e s GLY 59 CO -0.07 0.74 1.43 0.54 0.00 0.00 0.00 173.10 175.73 3i8e s LYS 60 N -1.92 3.76 0.02 2.90 1.02 -1.26 -4.22 119.74 120.04 3i8e s LYS 60 Ca 0.07 1.25 -0.30 0.00 0.02 0.00 0.00 55.97 57.02 3i8e s LYS 60 Cb -0.01 -3.97 -0.08 0.00 -0.52 0.00 0.00 37.83 33.25 3i8e s LYS 60 CO -0.05 -1.32 1.87 0.42 -0.92 0.00 0.00 175.35 175.35 3i8e s ILE 61 N 4.98 3.12 -0.02 2.17 1.01 0.23 -0.79 121.20 131.90 3i8e s ILE 61 Ca 0.62 0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.51 3i8e s ILE 61 Cb -0.18 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 3i8e s ILE 61 CO 0.28 -0.02 0.02 0.00 0.00 0.00 0.00 174.94 175.22 3i8e n ALA 62 N 7.22 1.97 -3.37 9.38 0.00 -0.44 -4.89 120.51 130.38 3i8e n ALA 62 Ca 0.19 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 3i8e n ALA 62 Cb 0.41 0.12 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 3i8e n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8e s VAL 63 N -2.11 0.67 -0.17 0.00 1.01 -1.09 -4.91 120.40 113.81 3i8e s VAL 63 Ca -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 3i8e s VAL 63 Cb 0.01 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.81 3i8e s VAL 63 CO 0.12 0.24 0.11 -0.32 0.00 0.00 0.00 175.10 175.25 3i8e s MET 64 N 0.59 0.07 0.04 2.72 0.00 -1.26 -2.00 119.30 119.46 3i8e s MET 64 Ca -0.09 -0.03 0.05 0.00 0.00 0.00 0.00 55.69 55.63 3i8e s MET 64 Cb -0.12 -1.70 -0.02 0.00 0.00 0.00 0.00 34.83 32.99 3i8e s MET 64 CO 0.01 -0.66 -0.15 -1.21 0.00 0.00 0.00 175.02 173.01 3i8e s GLU 65 N 2.17 0.99 -0.17 4.11 0.41 -0.74 -4.90 118.70 120.56 3i8e s GLU 65 Ca 0.03 -0.77 -0.07 0.00 -0.41 0.00 0.00 54.97 53.74 3i8e s GLU 65 Cb -0.16 -1.01 -0.04 0.00 -1.78 0.00 0.00 34.13 31.14 3i8e s GLU 65 CO -0.09 0.25 0.08 -0.51 -0.49 0.00 0.00 175.26 174.50 3i8e s LEU 66 N -1.12 3.97 0.03 1.80 1.43 -1.26 -0.94 118.68 122.60 3i8e s LEU 66 Ca 0.02 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.25 3i8e s LEU 66 Cb -0.08 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3i8e s LEU 66 CO 0.01 0.24 0.11 0.72 0.23 0.00 0.00 176.35 177.66 3i8e s PHE 67 N 0.01 0.15 -0.18 0.29 -0.12 -1.03 -4.99 117.98 112.12 3i8e s PHE 67 Ca 0.07 -0.40 -0.04 0.00 -0.05 0.00 0.00 56.93 56.51 3i8e s PHE 67 Cb -0.12 -0.11 0.08 0.00 -0.63 0.00 0.00 43.02 42.25 3i8e s PHE 67 CO 0.00 -0.35 0.22 0.50 -0.05 0.00 0.00 175.22 175.55 3i8e s ARG 68 N -2.30 0.17 0.82 1.99 3.52 -1.26 -1.23 118.95 120.66 3i8e s ARG 68 Ca -0.07 0.33 -0.08 0.00 -0.13 0.00 0.00 55.73 55.78 3i8e s ARG 68 Cb -0.03 -0.91 0.15 0.00 -1.56 0.00 0.00 34.95 32.61 3i8e s ARG 68 CO -0.03 -0.56 1.14 -1.25 -0.81 0.00 0.00 175.30 173.79 3i8e s PRO 69 N 2.34 1.27 1.08 5.12 0.04 -1.26 -4.90 135.00 138.69 3i8e s PRO 69 Ca 0.06 -0.74 -0.15 0.00 0.04 0.00 0.00 61.00 60.21 3i8e s PRO 69 Cb -0.15 -2.11 0.15 0.00 0.04 0.00 0.00 34.50 32.44 3i8e s PRO 69 CO -0.11 -1.85 0.53 1.63 0.04 0.00 0.00 177.00 177.24 3i8e n LYS 70 N -3.24 -1.50 -3.15 4.56 4.76 -1.26 -3.55 118.16 114.78 3i8e n LYS 70 Ca 0.15 -0.40 -0.22 0.00 -2.87 0.00 0.00 58.31 54.96 3i8e n LYS 70 Cb 0.60 -1.95 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 3i8e n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8e n GLY 71 N 1.41 -0.50 3.03 0.72 0.00 -1.26 -4.98 105.19 103.61 3i8e n GLY 71 Ca 0.04 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3i8e n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8e s GLU 72 N -5.81 0.36 -0.20 1.61 0.41 -1.23 -5.09 118.70 108.75 3i8e s GLU 72 Ca 0.33 -0.47 0.13 0.00 -0.41 0.00 0.00 54.97 54.55 3i8e s GLU 72 Cb -0.16 0.14 -0.22 0.00 -1.78 0.00 0.00 34.13 32.11 3i8e s GLU 72 CO 0.41 -0.07 -0.01 -1.13 -0.49 0.00 0.00 175.26 173.96 3i8e n SER 73 N 1.65 0.78 -3.89 -0.19 3.41 -1.26 -4.96 113.62 109.15 3i8e n SER 73 Ca -0.23 -0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.26 3i8e n SER 73 Cb 0.56 0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 65.02 3i8e n SER 73 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3i8e s LYS 74 N -2.47 0.71 0.42 4.33 -2.85 -1.26 -4.65 119.74 113.98 3i8e s LYS 74 Ca -0.16 -0.83 -0.26 0.00 -1.00 0.00 0.00 55.97 53.72 3i8e s LYS 74 Cb 0.06 0.28 -0.09 0.00 -2.06 0.00 0.00 37.83 36.03 3i8e s LYS 74 CO 0.72 -0.20 1.46 -0.51 0.10 0.00 0.00 175.35 176.92 3i8e s ASP 75 N -2.44 6.03 0.24 0.03 -0.00 0.17 -4.92 116.67 115.78 3i8e s ASP 75 Ca -0.00 2.99 0.06 0.00 -0.00 0.00 0.00 52.55 55.60 3i8e s ASP 75 Cb 0.02 -2.66 -0.03 0.00 -0.00 0.00 0.00 42.92 40.24 3i8e s ASP 75 CO -0.07 -1.08 0.24 -0.76 -0.00 0.00 0.00 175.17 173.50 3i8e s LEU 76 N -2.49 3.97 -0.11 1.23 1.43 -0.37 -4.56 118.68 117.78 3i8e s LEU 76 Ca 0.58 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 3i8e s LEU 76 Cb -0.45 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 3i8e s LEU 76 CO 0.60 -0.04 0.08 -0.22 0.23 0.00 0.00 176.35 177.00 3i8e s LEU 77 N -3.81 4.02 -0.16 1.79 2.96 0.32 -2.45 118.68 121.35 3i8e s LEU 77 Ca 0.33 0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.53 3i8e s LEU 77 Cb -0.08 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 3i8e s LEU 77 CO 0.26 0.38 -0.10 0.12 -1.32 0.00 0.00 176.35 175.69 3i8e s PHE 78 N -0.85 2.88 -0.02 5.38 5.36 -0.12 0.12 117.98 130.74 3i8e s PHE 78 Ca 0.13 -0.68 0.05 0.00 -0.96 0.00 0.00 56.93 55.48 3i8e s PHE 78 Cb -0.12 -1.93 -0.01 0.00 -0.34 0.00 0.00 43.02 40.62 3i8e s PHE 78 CO 0.03 -0.27 -0.18 0.42 -1.46 0.00 0.00 175.22 173.76 3i8e s ILE 79 N 0.64 1.40 -0.06 3.12 -1.09 -1.18 -1.80 121.20 122.23 3i8e s ILE 79 Ca -0.05 -0.75 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 3i8e s ILE 79 Cb -0.15 -1.17 0.02 0.00 -1.58 0.00 0.00 42.46 39.58 3i8e s ILE 79 CO 0.03 0.40 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.84 3i8e s LEU 80 N -0.37 1.41 0.23 2.97 2.96 -0.85 -1.52 118.68 123.52 3i8e s LEU 80 Ca 0.06 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3i8e s LEU 80 Cb -0.07 -0.60 -0.06 0.00 0.50 0.00 0.00 46.19 45.96 3i8e s LEU 80 CO -0.00 -0.03 0.50 0.28 -1.32 0.00 0.00 176.35 175.77 3i8e s THR 81 N 0.91 5.05 0.66 3.68 -1.32 0.49 -1.32 115.64 123.78 3i8e s THR 81 Ca -0.11 0.12 0.29 0.00 -1.21 0.00 0.00 61.69 60.78 3i8e s THR 81 Cb -0.15 -3.68 0.30 0.00 -1.51 0.00 0.00 72.50 67.46 3i8e s THR 81 CO 0.01 -0.16 1.89 0.00 -2.21 0.00 0.00 174.62 174.14 3i8e h ALA 82 N 2.19 1.45 -0.29 11.08 0.00 -1.31 1.72 119.26 134.11 3i8e h ALA 82 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i8e h ALA 82 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3i8e h ALA 82 CO 0.69 -0.39 0.00 1.63 0.00 0.00 0.00 179.25 181.17 3i8e n LYS 83 N -2.97 1.82 -1.42 0.00 5.02 -1.26 -4.93 118.16 114.42 3i8e n LYS 83 Ca -0.01 -1.26 -0.06 0.00 -2.02 0.00 0.00 58.31 54.96 3i8e n LYS 83 Cb 0.43 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 3i8e n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i8e n TYR 84 N 0.50 -0.07 -2.57 2.13 4.02 0.59 -4.83 117.16 116.92 3i8e n TYR 84 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.60 3i8e n TYR 84 Cb 0.33 -1.47 -0.02 0.00 -0.02 0.00 0.00 39.34 38.16 3i8e n TYR 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3i8e s ASN 85 N -2.89 6.74 0.00 7.72 -0.87 -1.22 -0.19 114.94 124.23 3i8e s ASN 85 Ca 0.00 0.82 0.00 0.00 -1.57 0.00 0.00 52.86 52.12 3i8e s ASN 85 Cb 0.00 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.65 3i8e s ASN 85 CO 0.00 -1.10 0.06 0.00 -2.57 0.00 0.00 177.10 173.50 3i8e s ALA 86 N 4.20 3.51 0.34 0.60 0.00 -1.12 -0.38 121.76 128.91 3i8e s ALA 86 Ca 0.49 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 3i8e s ALA 86 Cb -0.11 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3i8e s ALA 86 CO 0.24 0.68 0.46 0.00 0.00 0.00 0.00 175.76 177.15 3i8e s ILE 88 N -3.06 -0.07 -0.07 0.00 1.01 0.17 -3.13 121.20 116.05 3i8e s ILE 88 Ca 0.31 0.36 0.02 0.00 0.00 0.00 0.00 60.65 61.35 3i8e s ILE 88 Cb -0.00 -0.21 -0.02 0.00 0.01 0.00 0.00 42.46 42.23 3i8e s ILE 88 CO 0.21 0.15 -0.13 -0.76 0.00 0.00 0.00 174.94 174.40 3i8e s LEU 89 N 2.15 2.77 0.04 2.97 1.43 0.33 0.68 118.68 129.04 3i8e s LEU 89 Ca 0.05 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 3i8e s LEU 89 Cb -0.12 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3i8e s LEU 89 CO -0.04 0.30 -0.22 -0.70 0.23 0.00 0.00 176.35 175.92 3i8e s GLU 90 N -0.45 1.54 -0.47 1.70 2.12 -0.89 0.12 118.70 122.36 3i8e s GLU 90 Ca 0.06 -0.96 -0.17 0.00 0.36 0.00 0.00 54.97 54.26 3i8e s GLU 90 Cb -0.12 -1.64 0.06 0.00 0.26 0.00 0.00 34.13 32.68 3i8e s GLU 90 CO 0.02 0.43 0.49 -0.47 -0.54 0.00 0.00 175.26 175.18 3i8e s TYR 91 N -0.76 3.16 -0.33 5.30 5.04 -1.26 -0.61 117.35 127.89 3i8e s TYR 91 Ca 0.09 -0.67 -0.06 0.00 -2.44 0.00 0.00 57.07 53.99 3i8e s TYR 91 Cb -0.09 -3.25 0.04 0.00 0.35 0.00 0.00 41.96 39.02 3i8e s TYR 91 CO 0.01 -0.86 0.09 0.21 -1.34 0.00 0.00 175.55 173.66 3i8e s LYS 92 N 2.11 2.58 -0.03 4.97 2.20 0.16 -4.93 119.74 126.79 3i8e s LYS 92 Ca 0.10 -1.21 -0.18 0.00 -0.36 0.00 0.00 55.97 54.32 3i8e s LYS 92 Cb -0.21 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 3i8e s LYS 92 CO 0.10 -0.67 0.50 -1.14 -0.36 0.00 0.00 175.35 173.78 3i8e s GLN 93 N 1.37 4.20 -0.80 4.03 0.74 -1.26 -1.26 119.66 126.67 3i8e s GLN 93 Ca -0.02 0.54 0.02 0.00 0.05 0.00 0.00 55.36 55.95 3i8e s GLN 93 Cb -0.20 -3.32 0.26 0.00 1.10 0.00 0.00 33.01 30.84 3i8e s GLN 93 CO 0.02 0.43 0.94 0.43 -0.55 0.00 0.00 175.29 176.55 3i8e n SER 94 N 2.65 4.51 0.00 6.67 7.64 0.11 -4.96 113.62 130.24 3i8e n SER 94 Ca -0.09 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.41 3i8e n SER 94 Cb 0.52 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 3i8e n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i8e n GLY 95 N 1.27 1.16 0.00 0.23 0.00 -1.26 -2.49 105.19 104.10 3i8e n GLY 95 Ca 0.27 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3i8e n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i8e n GLU 96 N 0.00 0.60 -3.77 1.61 0.00 -1.26 -5.01 120.64 112.81 3i8e n GLU 96 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.81 3i8e n GLU 96 Cb 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 31.44 30.41 3i8e n GLU 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3i8e s SER 97 N -1.81 6.17 0.10 -1.84 0.15 -1.04 -5.10 113.70 110.33 3i8e s SER 97 Ca 0.00 0.23 0.06 0.00 0.70 0.00 0.00 55.95 56.94 3i8e s SER 97 Cb 0.00 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.19 3i8e s SER 97 CO 0.00 0.20 -0.05 0.27 1.20 0.00 0.00 173.24 174.85 3i8e s ILE 98 N 0.26 3.68 -0.10 6.45 -0.00 -1.26 0.07 121.20 130.29 3i8e s ILE 98 Ca 0.08 -1.14 -0.05 0.00 -0.00 0.00 0.00 60.65 59.54 3i8e s ILE 98 Cb -0.11 -2.74 0.05 0.00 -0.00 0.00 0.00 42.46 39.66 3i8e s ILE 98 CO -0.01 0.11 0.23 -1.81 -0.00 0.00 0.00 174.94 173.46 3i8e s ASP 99 N -2.27 0.00 -0.59 4.36 1.01 -0.39 -4.98 116.67 113.81 3i8e s ASP 99 Ca 0.24 0.50 -0.18 0.00 0.71 0.00 0.00 52.55 53.81 3i8e s ASP 99 Cb -0.11 0.44 0.11 0.00 1.01 0.00 0.00 42.92 44.37 3i8e s ASP 99 CO 0.16 -0.19 0.68 -0.63 0.21 0.00 0.00 175.17 175.40 3i8e s ILE 100 N 1.64 4.89 0.35 0.77 1.01 -1.26 0.37 121.20 128.96 3i8e s ILE 100 Ca -0.06 -1.11 0.03 0.00 0.00 0.00 0.00 60.65 59.52 3i8e s ILE 100 Cb -0.11 -4.47 -0.02 0.00 0.01 0.00 0.00 42.46 37.87 3i8e s ILE 100 CO -0.08 -1.09 0.52 -0.51 0.00 0.00 0.00 174.94 173.78 3i8e s ILE 101 N 2.48 4.51 -0.49 2.92 2.07 0.22 -4.90 121.20 128.01 3i8e s ILE 101 Ca 0.10 -0.75 -0.06 0.00 -1.41 0.00 0.00 60.65 58.54 3i8e s ILE 101 Cb -0.25 -3.62 0.13 0.00 0.13 0.00 0.00 42.46 38.85 3i8e s ILE 101 CO 0.05 -0.32 0.33 -0.89 -1.91 0.00 0.00 174.94 172.19 3i8e s THR 102 N -2.27 3.86 0.10 4.00 2.01 -1.26 -2.09 115.64 119.99 3i8e s THR 102 Ca 0.43 -2.09 0.26 0.00 0.31 0.00 0.00 61.69 60.60 3i8e s THR 102 Cb -0.10 -3.56 0.27 0.00 0.01 0.00 0.00 72.50 69.12 3i8e s THR 102 CO 0.34 -0.77 1.84 0.03 -0.69 0.00 0.00 174.62 175.37 3i8e h ARG 103 N 8.07 0.00 -1.45 4.92 2.47 -0.12 -3.45 114.38 124.81 3i8e h ARG 103 Ca -0.14 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.69 3i8e h ARG 103 Cb 1.04 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.12 3i8e h ARG 103 CO 0.78 0.17 0.62 0.00 0.56 0.00 0.00 179.97 182.10 3i8e s ALA 104 N -3.62 -1.98 0.24 0.04 0.00 -1.22 -4.91 121.76 110.30 3i8e s ALA 104 Ca 0.01 1.67 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3i8e s ALA 104 Cb 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.25 3i8e s ALA 104 CO 0.62 -0.28 0.31 -2.39 0.00 0.00 0.00 175.76 174.02 3i8e n HIS 105 N 0.85 -1.02 0.00 0.00 1.44 -0.89 0.46 115.22 116.07 3i8e n HIS 105 Ca -0.09 -1.71 0.00 0.00 -2.01 0.00 0.00 57.72 53.91 3i8e n HIS 105 Cb 0.58 0.35 0.00 0.00 0.12 0.00 0.00 29.99 31.04 3i8e n HIS 105 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i8e n GLY 106 N -0.41 4.70 3.72 -1.39 0.00 -0.39 -2.91 105.19 108.51 3i8e n GLY 106 Ca 0.02 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 3i8e n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i8e s ASN 107 N 0.00 7.34 -0.29 1.61 3.84 -1.26 -2.79 114.94 123.39 3i8e s ASN 107 Ca 0.00 1.83 0.07 0.00 0.21 0.00 0.00 52.86 54.97 3i8e s ASN 107 Cb 0.00 -2.58 0.46 0.00 -0.55 0.00 0.00 41.25 38.57 3i8e s ASN 107 CO 0.00 -0.23 1.21 1.33 -2.79 0.00 0.00 177.10 176.62 3i8e n VAL 108 N 3.33 2.51 -0.96 -5.21 0.24 0.73 -4.95 118.33 114.03 3i8e n VAL 108 Ca 0.05 -4.06 0.00 0.00 -2.04 0.00 0.00 64.34 58.29 3i8e n VAL 108 Cb 0.49 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 3i8e n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8e n GLN 109 N -0.77 0.37 -3.72 7.34 10.64 -1.26 -5.01 117.38 124.97 3i8e n GLN 109 Ca 0.41 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.45 3i8e n GLN 109 Cb 0.93 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 30.24 3i8e n GLN 109 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3i8e s ASP 110 N -1.00 -0.22 0.28 2.61 1.11 -1.26 -5.05 116.67 113.14 3i8e s ASP 110 Ca 0.00 -0.01 -0.04 0.00 0.18 0.00 0.00 52.55 52.68 3i8e s ASP 110 Cb 0.00 0.38 0.37 0.00 1.07 0.00 0.00 42.92 44.74 3i8e s ASP 110 CO 0.00 -0.58 1.95 -0.09 1.18 0.00 0.00 175.17 177.63 3i8e h ARG 111 N 3.32 1.18 -6.06 8.23 9.65 -2.05 -3.43 114.38 125.21 3i8e h ARG 111 Ca -0.31 -0.07 -0.65 0.00 -1.10 0.00 0.00 59.98 57.85 3i8e h ARG 111 Cb 1.19 -0.27 -0.10 0.00 -1.39 0.00 0.00 29.97 29.40 3i8e h ARG 111 CO 0.43 0.78 -0.59 0.42 2.80 0.00 0.00 179.97 183.81 3i8e s ILE 112 N -6.01 4.59 0.00 1.20 1.09 -1.26 -5.05 121.20 115.76 3i8e s ILE 112 Ca -0.12 -0.51 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 3i8e s ILE 112 Cb 0.18 -3.11 0.00 0.00 -1.06 0.00 0.00 42.46 38.47 3i8e s ILE 112 CO 0.80 0.31 0.00 0.61 -0.10 0.00 0.00 174.94 176.56 3i8e n GLY 113 N 1.07 3.80 3.71 6.18 0.00 -1.26 -4.99 105.19 113.70 3i8e n GLY 113 Ca -0.12 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 3i8e n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i8e s ARG 114 N -5.23 4.50 -0.46 1.61 3.52 -1.26 -4.90 118.95 116.72 3i8e s ARG 114 Ca 0.00 1.61 -0.27 0.00 -0.13 0.00 0.00 55.73 56.94 3i8e s ARG 114 Cb 0.00 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 3i8e s ARG 114 CO 0.00 -0.14 1.89 -2.14 -0.81 0.00 0.00 175.30 174.10 3i8e s PRO 115 N 0.95 2.92 1.05 5.12 0.02 -1.26 -1.57 135.00 142.23 3i8e s PRO 115 Ca 0.55 1.09 -0.12 0.00 0.02 0.00 0.00 61.00 62.54 3i8e s PRO 115 Cb -0.26 -4.32 0.22 0.00 0.02 0.00 0.00 34.50 30.17 3i8e s PRO 115 CO 0.29 -2.37 1.07 -1.54 -0.33 0.00 0.00 177.00 174.12 3i8e s SER 116 N 7.55 1.98 0.38 2.53 1.04 -1.26 -4.89 113.70 121.04 3i8e s SER 116 Ca 0.76 1.59 -0.25 0.00 0.48 0.00 0.00 55.95 58.53 3i8e s SER 116 Cb -0.18 -2.27 -0.12 0.00 0.10 0.00 0.00 66.02 63.55 3i8e s SER 116 CO 0.27 -3.59 0.80 1.21 0.98 0.00 0.00 173.24 172.92 3i8e n GLU 117 N -4.51 0.96 -0.55 4.02 4.07 -1.26 -2.33 120.64 121.03 3i8e n GLU 117 Ca 0.06 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 3i8e n GLU 117 Cb 0.54 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 30.20 3i8e n GLU 117 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3i8e n THR 118 N -0.45 0.00 -4.81 6.31 -1.04 -1.26 -4.91 114.28 108.11 3i8e n THR 118 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3i8e n THR 118 Cb 0.37 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 3i8e n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i8e n GLY 119 N -2.00 0.57 3.75 3.41 0.00 -0.98 -4.83 105.19 105.11 3i8e n GLY 119 Ca 0.00 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 3i8e n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8e s ILE 120 N 0.00 2.61 -0.11 -0.61 1.01 -1.26 -4.82 121.20 118.02 3i8e s ILE 120 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.99 3i8e s ILE 120 Cb 0.00 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.39 3i8e s ILE 120 CO 0.00 -0.09 0.05 -0.63 0.00 0.00 0.00 174.94 174.27 3i8e s ILE 121 N -1.63 0.10 -0.06 2.92 1.09 -1.05 -5.01 121.20 117.56 3i8e s ILE 121 Ca 0.77 0.02 -0.02 0.00 -1.10 0.00 0.00 60.65 60.32 3i8e s ILE 121 Cb -0.30 -0.51 -0.04 0.00 -1.06 0.00 0.00 42.46 40.55 3i8e s ILE 121 CO 0.34 -0.01 0.06 -0.83 -0.10 0.00 0.00 174.94 174.40 3i8e s GLY 122 N 2.07 1.98 -0.03 6.18 0.00 -1.26 -0.42 107.32 115.84 3i8e s GLY 122 Ca 0.03 -0.79 -0.14 0.00 0.00 0.00 0.00 44.72 43.82 3i8e s GLY 122 CO -0.06 -0.59 0.30 -0.26 0.00 0.00 0.00 173.10 172.48 3i8e s ILE 123 N -1.03 0.05 -0.13 0.90 -4.36 -0.21 -4.99 121.20 111.43 3i8e s ILE 123 Ca 0.17 -0.41 0.01 0.00 -0.26 0.00 0.00 60.65 60.17 3i8e s ILE 123 Cb -0.12 -0.57 0.02 0.00 1.25 0.00 0.00 42.46 43.04 3i8e s ILE 123 CO 0.07 -0.22 -0.15 -0.63 0.24 0.00 0.00 174.94 174.24 3i8e s ILE 124 N -1.06 1.58 0.23 8.37 1.01 -1.26 0.27 121.20 130.32 3i8e s ILE 124 Ca -0.11 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 59.56 3i8e s ILE 124 Cb -0.05 -1.45 -0.12 0.00 0.01 0.00 0.00 42.46 40.85 3i8e s ILE 124 CO 0.03 0.46 1.68 -0.62 0.00 0.00 0.00 174.94 176.49 3i8e s ASP 125 N 1.18 6.40 0.58 3.58 2.15 -1.21 -4.87 116.67 124.47 3i8e s ASP 125 Ca -0.02 2.86 0.34 0.00 0.43 0.00 0.00 52.55 56.16 3i8e s ASP 125 Cb -0.14 -2.61 1.36 0.00 -0.30 0.00 0.00 42.92 41.23 3i8e s ASP 125 CO -0.05 -0.94 1.63 1.55 -0.17 0.00 0.00 175.17 177.18 3i8e h PRO 126 N 6.31 0.00 0.00 4.34 0.13 -1.93 0.97 132.00 141.82 3i8e h PRO 126 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 3i8e h PRO 126 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3i8e h PRO 126 CO 0.91 0.00 -0.25 0.93 -0.23 0.00 0.00 178.00 179.37 3i8e h GLU 127 N 0.00 0.00 -1.81 0.86 5.08 -1.96 -3.48 114.58 113.28 3i8e h GLU 127 Ca 0.51 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.58 3i8e h GLU 127 Cb 2.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.67 3i8e h GLU 127 CO -0.01 0.25 -0.35 0.00 -1.00 0.00 0.00 179.01 177.90 3i8e n ARG 129 N -2.44 0.18 -3.56 0.00 5.12 -1.26 -4.76 116.66 109.94 3i8e n ARG 129 Ca -0.17 0.17 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 3i8e n ARG 129 Cb 0.60 -1.72 -0.04 0.00 -1.16 0.00 0.00 32.46 30.15 3i8e n ARG 129 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i8e s MET 130 N -3.08 0.63 -0.10 5.56 0.23 -1.26 -2.66 119.30 118.62 3i8e s MET 130 Ca 0.11 -0.03 -0.02 0.00 -1.03 0.00 0.00 55.69 54.72 3i8e s MET 130 Cb 0.14 0.30 -0.03 0.00 -1.53 0.00 0.00 34.83 33.70 3i8e s MET 130 CO 0.56 -0.23 0.01 0.42 -2.03 0.00 0.00 175.02 173.74 3i8e s ILE 131 N -1.88 4.35 0.17 3.16 1.01 0.10 -3.35 121.20 124.75 3i8e s ILE 131 Ca 0.02 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.51 3i8e s ILE 131 Cb -0.01 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 3i8e s ILE 131 CO -0.03 0.59 0.03 -0.83 0.00 0.00 0.00 174.94 174.70 3i8e s GLY 132 N -0.72 1.73 -0.10 6.18 0.00 0.14 -0.14 107.32 114.41 3i8e s GLY 132 Ca 0.11 -1.33 -0.09 0.00 0.00 0.00 0.00 44.72 43.42 3i8e s GLY 132 CO 0.02 -1.34 0.27 1.08 0.00 0.00 0.00 173.10 173.13 3i8e s LEU 133 N -2.95 0.91 -0.42 0.66 1.02 -0.05 -1.04 118.68 116.80 3i8e s LEU 133 Ca 0.28 0.54 -0.05 0.00 0.02 0.00 0.00 54.13 54.93 3i8e s LEU 133 Cb -0.10 0.91 0.11 0.00 0.02 0.00 0.00 46.19 47.13 3i8e s LEU 133 CO 0.20 -0.10 0.23 -0.60 0.02 0.00 0.00 176.35 176.10 3i8e s ARG 134 N 0.27 2.18 -0.24 1.70 3.00 0.44 -1.32 118.95 124.98 3i8e s ARG 134 Ca -0.01 -1.75 -0.17 0.00 -1.00 0.00 0.00 55.73 52.79 3i8e s ARG 134 Cb -0.03 -3.66 -0.15 0.00 0.00 0.00 0.00 34.95 31.11 3i8e s ARG 134 CO -0.01 -1.07 -0.10 1.28 0.00 0.00 0.00 175.30 175.41 3i8e n LEU 135 N 4.70 1.91 -4.20 -0.88 7.99 -1.26 -2.53 117.00 122.72 3i8e n LEU 135 Ca -0.05 0.38 -0.30 0.00 -0.01 0.00 0.00 56.01 56.04 3i8e n LEU 135 Cb 0.41 -0.89 -0.16 0.00 -0.11 0.00 0.00 43.42 42.67 3i8e n LEU 135 CO 0.36 0.42 -0.54 -0.31 -1.51 0.00 0.00 177.39 175.80 3i8e s TYR 136 N -2.45 2.19 -0.16 -1.77 1.51 -1.26 -4.04 117.35 111.38 3i8e s TYR 136 Ca -0.34 -0.72 -0.14 0.00 -1.01 0.00 0.00 57.07 54.86 3i8e s TYR 136 Cb 0.11 -1.46 -0.06 0.00 -0.11 0.00 0.00 41.96 40.43 3i8e s TYR 136 CO 0.53 -0.26 0.64 -0.25 -1.11 0.00 0.00 175.55 175.10 3i8e n ASP 137 N 3.20 0.27 0.00 2.29 8.00 -0.61 -0.71 116.55 128.99 3i8e n ASP 137 Ca -0.18 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3i8e n ASP 137 Cb 0.52 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3i8e n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i8e n GLY 138 N 2.13 0.81 3.41 0.44 0.00 -1.26 -4.70 105.19 106.02 3i8e n GLY 138 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3i8e n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8e s LEU 139 N 0.00 2.47 -0.16 0.99 1.43 0.11 -0.65 118.68 122.87 3i8e s LEU 139 Ca 0.00 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.18 3i8e s LEU 139 Cb 0.00 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.20 3i8e s LEU 139 CO 0.00 0.06 -0.03 0.12 0.23 0.00 0.00 176.35 176.73 3i8e s PHE 140 N -1.98 1.47 -0.25 0.29 5.36 -0.75 -4.46 117.98 117.65 3i8e s PHE 140 Ca 0.22 -0.96 -0.21 0.00 -0.96 0.00 0.00 56.93 55.01 3i8e s PHE 140 Cb -0.07 -1.20 -0.02 0.00 -0.34 0.00 0.00 43.02 41.40 3i8e s PHE 140 CO 0.10 -0.59 0.68 0.21 -1.46 0.00 0.00 175.22 174.16 3i8e s LYS 141 N 1.71 4.14 -0.20 10.12 2.47 -0.43 -2.26 119.74 135.27 3i8e s LYS 141 Ca 0.00 0.65 -0.06 0.00 -1.56 0.00 0.00 55.97 55.00 3i8e s LYS 141 Cb -0.16 -3.64 -0.03 0.00 -1.46 0.00 0.00 37.83 32.54 3i8e s LYS 141 CO -0.07 -0.42 0.04 0.08 0.16 0.00 0.00 175.35 175.13 3i8e s VAL 142 N 2.54 4.35 -0.50 4.02 1.01 0.58 -0.87 120.40 131.53 3i8e s VAL 142 Ca 0.28 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 3i8e s VAL 142 Cb -0.15 -2.98 0.12 0.00 0.00 0.00 0.00 36.38 33.37 3i8e s VAL 142 CO 0.08 0.42 0.39 -0.63 0.00 0.00 0.00 175.10 175.36 3i8e s ILE 143 N 0.89 4.43 -0.61 2.22 1.01 0.80 -1.31 121.20 128.63 3i8e s ILE 143 Ca 0.03 -1.77 -0.26 0.00 0.00 0.00 0.00 60.65 58.65 3i8e s ILE 143 Cb -0.14 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 3i8e s ILE 143 CO 0.02 -0.80 2.04 -2.84 0.00 0.00 0.00 174.94 173.36 3i8e s PRO 144 N 1.36 2.44 -0.31 2.79 0.02 -1.26 -0.72 135.00 139.31 3i8e s PRO 144 Ca 0.06 0.75 -0.29 0.00 0.02 0.00 0.00 61.00 61.54 3i8e s PRO 144 Cb -0.27 -4.51 0.01 0.00 0.02 0.00 0.00 34.50 29.76 3i8e s PRO 144 CO -0.00 -3.00 1.16 -1.17 -0.33 0.00 0.00 177.00 173.66 3i8e s LEU 145 N 10.22 3.92 0.00 -5.54 0.20 -1.09 -4.93 118.68 121.46 3i8e s LEU 145 Ca 0.76 1.11 0.00 0.00 0.69 0.00 0.00 54.13 56.69 3i8e s LEU 145 Cb -0.13 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 3i8e s LEU 145 CO 0.20 -0.95 0.00 0.47 -0.29 0.00 0.00 176.35 175.78 3i8e n ASP 146 N 7.12 0.00 -0.00 3.68 9.92 -1.26 -4.27 116.55 131.74 3i8e n ASP 146 Ca 0.13 -0.68 -0.12 0.00 -0.53 0.00 0.00 54.79 53.59 3i8e n ASP 146 Cb 0.47 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.87 3i8e n ASP 146 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3i8e h ARG 147 N 0.00 0.07 0.00 -1.24 1.12 -2.00 -3.43 114.38 108.90 3i8e h ARG 147 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 3i8e h ARG 147 Cb 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 3i8e h ARG 147 CO 0.00 0.27 0.00 -0.25 -3.11 0.00 0.00 179.97 176.88 3i8e n ASP 148 N -4.93 0.00 -3.80 -3.80 9.92 -1.26 -4.75 116.55 107.92 3i8e n ASP 148 Ca -0.07 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 53.95 3i8e n ASP 148 Cb 0.14 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.57 3i8e n ASP 148 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3i8e n ASN 149 N 0.00 -0.13 -0.02 -2.24 2.85 -1.26 -4.75 115.26 109.71 3i8e n ASN 149 Ca 0.00 -0.88 0.13 0.00 -0.11 0.00 0.00 54.58 53.71 3i8e n ASN 149 Cb 0.00 -1.09 0.36 0.00 1.24 0.00 0.00 39.78 40.29 3i8e n ASN 149 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3i8e n LYS 150 N -3.53 0.10 -0.28 1.20 5.02 -1.26 -2.83 118.16 116.58 3i8e n LYS 150 Ca -0.19 -0.05 0.10 0.00 -2.02 0.00 0.00 58.31 56.15 3i8e n LYS 150 Cb 0.46 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.23 3i8e n LYS 150 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i8e n GLU 151 N -1.41 2.33 -4.10 1.97 1.02 -1.25 -2.09 120.64 117.11 3i8e n GLU 151 Ca 0.07 -2.06 -0.28 0.00 -0.02 0.00 0.00 57.16 54.87 3i8e n GLU 151 Cb 0.33 -1.45 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 3i8e n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i8e n LEU 152 N 1.19 -1.74 -4.75 -4.62 4.77 -1.13 -4.27 117.00 106.46 3i8e n LEU 152 Ca 0.19 -1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 54.65 3i8e n LEU 152 Cb 0.49 -1.98 -0.02 0.00 -2.33 0.00 0.00 43.42 39.58 3i8e n LEU 152 CO 0.13 0.44 1.23 -0.54 -1.33 0.00 0.00 177.39 177.33 3i8e s LYS 153 N -6.88 4.13 0.33 3.23 -0.14 -1.26 -4.92 119.74 114.24 3i8e s LYS 153 Ca 0.03 2.55 0.10 0.00 -1.36 0.00 0.00 55.97 57.29 3i8e s LYS 153 Cb -0.01 -3.03 -0.06 0.00 -1.68 0.00 0.00 37.83 33.04 3i8e s LYS 153 CO 0.93 -0.62 -0.12 0.00 -0.76 0.00 0.00 175.35 174.78 3i8e s ALA 154 N 0.02 2.91 0.03 5.17 0.00 -1.26 -4.19 121.76 124.45 3i8e s ALA 154 Ca 0.63 -2.03 0.01 0.00 0.00 0.00 0.00 51.96 50.57 3i8e s ALA 154 Cb -0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 3i8e s ALA 154 CO 0.47 0.14 -0.05 -0.59 0.00 0.00 0.00 175.76 175.73 3i8e s PHE 155 N -2.58 0.44 0.35 0.00 -0.12 -0.43 -5.00 117.98 110.65 3i8e s PHE 155 Ca 0.32 -0.60 0.07 0.00 -0.05 0.00 0.00 56.93 56.67 3i8e s PHE 155 Cb 0.00 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.08 3i8e s PHE 155 CO 0.16 -0.18 0.39 -0.80 -0.05 0.00 0.00 175.22 174.74 3i8e s ASN 156 N -1.73 5.54 -0.05 1.98 0.01 -1.26 -0.31 114.94 119.12 3i8e s ASN 156 Ca -0.10 -0.41 -0.03 0.00 -0.71 0.00 0.00 52.86 51.61 3i8e s ASN 156 Cb -0.07 -0.99 0.02 0.00 0.41 0.00 0.00 41.25 40.62 3i8e s ASN 156 CO -0.02 -0.45 0.11 -0.63 -1.51 0.00 0.00 177.10 174.60 3i8e s ILE 157 N -2.28 -0.02 0.16 0.60 1.01 -0.96 -4.93 121.20 114.78 3i8e s ILE 157 Ca 0.44 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.87 3i8e s ILE 157 Cb -0.07 -0.17 -0.09 0.00 0.01 0.00 0.00 42.46 42.14 3i8e s ILE 157 CO 0.29 0.04 1.39 -0.60 0.00 0.00 0.00 174.94 176.06 3i8e s ARG 158 N 0.56 4.32 -0.21 2.79 3.52 -1.26 -1.81 118.95 126.85 3i8e s ARG 158 Ca -0.04 2.13 -0.10 0.00 -0.13 0.00 0.00 55.73 57.59 3i8e s ARG 158 Cb -0.06 -3.20 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 3i8e s ARG 158 CO -0.02 -0.40 0.14 -1.17 -0.81 0.00 0.00 175.30 173.04 3i8e s LEU 159 N 0.54 4.16 0.55 -0.88 0.20 0.17 -4.92 118.68 118.51 3i8e s LEU 159 Ca 0.62 0.18 0.33 0.00 0.69 0.00 0.00 54.13 55.95 3i8e s LEU 159 Cb -0.38 -2.09 1.45 0.00 -0.43 0.00 0.00 46.19 44.74 3i8e s LEU 159 CO 0.34 0.14 2.02 -0.08 -0.29 0.00 0.00 176.35 178.49 3i8e h GLU 160 N 6.97 0.00 -4.65 1.98 4.57 -1.95 -3.42 114.58 118.08 3i8e h GLU 160 Ca -0.40 0.00 -0.70 0.00 -1.18 0.00 0.00 59.36 57.08 3i8e h GLU 160 Cb 1.16 0.00 -0.29 0.00 -0.16 0.00 0.00 28.75 29.46 3i8e h GLU 160 CO 0.72 0.05 -0.59 -1.21 -1.18 0.00 0.00 179.01 176.79 3i8e s GLU 161 N -3.79 2.57 -0.49 1.92 8.01 -1.26 -5.01 118.70 120.66 3i8e s GLU 161 Ca -0.00 -1.25 -0.03 0.00 0.01 0.00 0.00 54.97 53.69 3i8e s GLU 161 Cb 0.10 -3.49 0.14 0.00 -4.31 0.00 0.00 34.13 26.58 3i8e s GLU 161 CO 0.54 -0.72 2.52 1.28 0.01 0.00 0.00 175.26 178.89 3i8e n LEU 162 N 4.80 6.68 -2.80 1.80 4.77 -1.26 -4.44 117.00 126.54 3i8e n LEU 162 Ca -0.12 -4.05 0.01 0.00 -0.03 0.00 0.00 56.01 51.82 3i8e n LEU 162 Cb 0.44 -1.17 0.01 0.00 -2.33 0.00 0.00 43.42 40.37 3i8e n LEU 162 CO 0.32 1.64 0.43 -2.28 -1.33 0.00 0.00 177.39 176.16 3i8e s HIS 163 N -2.15 -0.52 0.04 -1.77 2.46 -1.26 -4.85 115.29 107.23 3i8e s HIS 163 Ca 0.54 0.04 -0.02 0.00 0.47 0.00 0.00 55.06 56.09 3i8e s HIS 163 Cb 0.37 0.10 -0.04 0.00 -0.13 0.00 0.00 32.58 32.88 3i8e s HIS 163 CO -0.20 -0.36 0.23 0.08 -2.47 0.00 0.00 174.74 172.02 3i8e s VAL 164 N 1.81 5.36 -0.15 0.89 1.01 -1.26 -0.60 120.40 127.47 3i8e s VAL 164 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 3i8e s VAL 164 Cb 0.04 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 3i8e s VAL 164 CO -0.13 0.22 -0.16 -0.38 0.00 0.00 0.00 175.10 174.65 3i8e n ILE 165 N 0.60 0.81 -3.67 2.22 -0.00 0.23 -4.88 119.36 114.67 3i8e n ILE 165 Ca -0.08 -0.25 -0.11 0.00 -0.00 0.00 0.00 62.75 62.32 3i8e n ILE 165 Cb 0.52 -1.40 -0.09 0.00 -0.00 0.00 0.00 39.64 38.67 3i8e n ILE 165 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3i8e s ASP 166 N -5.92 -0.69 0.02 4.38 -1.08 -1.22 -4.89 116.67 107.26 3i8e s ASP 166 Ca -0.20 1.22 0.08 0.00 -0.52 0.00 0.00 52.55 53.13 3i8e s ASP 166 Cb 0.07 1.15 -0.03 0.00 -1.46 0.00 0.00 42.92 42.65 3i8e s ASP 166 CO 0.29 -0.21 -0.24 -0.69 0.52 0.00 0.00 175.17 174.83 3i8e s VAL 167 N 1.00 2.29 0.24 1.11 1.01 -1.26 -2.67 120.40 122.12 3i8e s VAL 167 Ca -0.05 -1.21 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 3i8e s VAL 167 Cb -0.05 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3i8e s VAL 167 CO -0.09 0.45 0.22 -0.54 0.00 0.00 0.00 175.10 175.14 3i8e s LYS 168 N -1.03 1.40 0.05 2.72 -0.14 -0.85 -4.94 119.74 116.96 3i8e s LYS 168 Ca 0.12 -1.70 -0.01 0.00 -1.36 0.00 0.00 55.97 53.02 3i8e s LYS 168 Cb -0.10 0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 36.32 3i8e s LYS 168 CO 0.01 -0.50 0.21 -0.06 -0.76 0.00 0.00 175.35 174.26 3i8e s PHE 169 N -3.91 3.52 0.00 3.18 0.40 -1.26 -1.77 117.98 118.14 3i8e s PHE 169 Ca 0.37 0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 56.83 3i8e s PHE 169 Cb 0.05 -1.79 -0.06 0.00 0.51 0.00 0.00 43.02 41.73 3i8e s PHE 169 CO 0.16 0.59 0.46 -0.51 0.70 0.00 0.00 175.22 176.62 3i8e s LEU 170 N -2.40 4.46 0.52 -0.37 1.43 0.40 -4.75 118.68 117.97 3i8e s LEU 170 Ca 0.34 1.01 -0.19 0.00 -1.03 0.00 0.00 54.13 54.26 3i8e s LEU 170 Cb -0.13 -2.68 -0.07 0.00 0.03 0.00 0.00 46.19 43.35 3i8e s LEU 170 CO 0.26 0.27 1.07 -0.31 0.23 0.00 0.00 176.35 177.86 3i8e s TYR 171 N -0.84 2.89 -0.07 0.29 1.51 -1.26 -4.08 117.35 115.79 3i8e s TYR 171 Ca 0.25 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.87 3i8e s TYR 171 Cb -0.17 -3.12 0.00 0.00 -0.11 0.00 0.00 41.96 38.56 3i8e s TYR 171 CO 0.14 -1.10 0.00 0.41 -1.11 0.00 0.00 175.55 173.89 3i8e n GLY 172 N -0.25 0.29 3.76 0.71 0.00 -1.26 -4.74 105.19 103.70 3i8e n GLY 172 Ca 0.10 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3i8e n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8e h GLN 174 N 4.41 -0.60 -7.55 0.00 1.08 -1.95 -3.43 115.11 107.06 3i8e h GLN 174 Ca -0.46 0.04 -0.46 0.00 -1.45 0.00 0.00 58.65 56.32 3i8e h GLN 174 Cb 1.20 0.14 0.10 0.00 -0.05 0.00 0.00 27.48 28.87 3i8e h GLN 174 CO 0.67 -0.40 0.36 0.00 -0.95 0.00 0.00 178.83 178.51 3i8e s ALA 175 N -4.69 2.75 0.06 3.87 0.00 -1.26 -5.01 121.76 117.49 3i8e s ALA 175 Ca -0.10 -0.77 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 3i8e s ALA 175 Cb 0.02 -2.85 -0.08 0.00 0.00 0.00 0.00 23.12 20.22 3i8e s ALA 175 CO 0.33 -1.64 1.58 -2.14 0.00 0.00 0.00 175.76 173.89 3i8e s PRO 176 N -5.52 4.22 -0.02 0.00 0.02 -1.26 -4.92 135.00 127.53 3i8e s PRO 176 Ca 0.63 2.23 0.03 0.00 0.02 0.00 0.00 61.00 63.90 3i8e s PRO 176 Cb -0.10 -3.57 -0.00 0.00 0.02 0.00 0.00 34.50 30.85 3i8e s PRO 176 CO 0.48 -0.68 -0.09 0.99 -0.33 0.00 0.00 177.00 177.37 3i8e s THR 177 N 2.48 0.78 0.35 0.99 2.01 -1.26 -0.44 115.64 120.55 3i8e s THR 177 Ca 0.71 -0.39 0.08 0.00 0.31 0.00 0.00 61.69 62.40 3i8e s THR 177 Cb -0.38 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 3i8e s THR 177 CO 0.31 0.23 0.09 0.27 -0.69 0.00 0.00 174.62 174.82 3i8e s ILE 178 N -0.05 2.76 -0.06 1.82 -4.36 -0.72 -0.45 121.20 120.14 3i8e s ILE 178 Ca 0.01 -1.82 -0.02 0.00 -0.26 0.00 0.00 60.65 58.55 3i8e s ILE 178 Cb -0.06 -2.90 0.04 0.00 1.25 0.00 0.00 42.46 40.79 3i8e s ILE 178 CO -0.00 -0.17 0.12 0.00 0.24 0.00 0.00 174.94 175.13 3i8e s PHE 180 N 1.58 -0.09 0.10 0.00 -0.12 -1.07 -2.00 117.98 116.39 3i8e s PHE 180 Ca -0.04 0.22 -0.30 0.00 -0.05 0.00 0.00 56.93 56.76 3i8e s PHE 180 Cb -0.12 0.02 -0.06 0.00 -0.63 0.00 0.00 43.02 42.23 3i8e s PHE 180 CO -0.05 -0.09 1.03 0.08 -0.05 0.00 0.00 175.22 176.14 3i8e s VAL 181 N -0.15 4.34 0.17 -2.49 1.01 -1.09 -2.10 120.40 120.09 3i8e s VAL 181 Ca -0.02 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.84 3i8e s VAL 181 Cb -0.02 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3i8e s VAL 181 CO 0.00 0.26 0.04 -0.72 0.00 0.00 0.00 175.10 174.68 3i8e s TYR 182 N 0.22 1.12 0.01 5.22 -0.85 0.15 -0.60 117.35 122.61 3i8e s TYR 182 Ca 0.50 -1.15 0.07 0.00 -0.52 0.00 0.00 57.07 55.97 3i8e s TYR 182 Cb -0.25 -0.63 -0.02 0.00 0.38 0.00 0.00 41.96 41.44 3i8e s TYR 182 CO 0.31 -0.37 -0.23 -1.14 -1.52 0.00 0.00 175.55 172.60 3i8e s GLN 183 N -4.00 1.69 0.33 -3.49 0.74 0.24 -1.66 119.66 113.51 3i8e s GLN 183 Ca 0.27 -0.89 -0.14 0.00 0.05 0.00 0.00 55.36 54.65 3i8e s GLN 183 Cb 0.07 -1.72 0.03 0.00 1.10 0.00 0.00 33.01 32.49 3i8e s GLN 183 CO 0.05 0.46 0.67 0.16 -0.55 0.00 0.00 175.29 176.08 3i8e s ASP 184 N -0.82 0.11 0.00 6.67 1.47 -1.25 -4.47 116.67 118.37 3i8e s ASP 184 Ca 0.09 -1.07 0.00 0.00 1.18 0.00 0.00 52.55 52.75 3i8e s ASP 184 Cb -0.09 0.75 0.00 0.00 -0.34 0.00 0.00 42.92 43.24 3i8e s ASP 184 CO 0.00 -1.46 0.73 -2.65 0.68 0.00 0.00 175.17 172.47 3i8e n PRO 185 N -0.50 0.00 -0.05 2.11 -0.02 -1.26 -0.84 135.00 134.45 3i8e n PRO 185 Ca -0.05 0.26 -0.11 0.00 -2.02 0.00 0.00 63.50 61.58 3i8e n PRO 185 Cb 0.60 -1.65 -0.14 0.00 -0.02 0.00 0.00 33.50 32.29 3i8e n PRO 185 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i8e n GLN 186 N -1.23 0.66 0.00 -0.52 3.00 -1.26 -5.10 117.38 112.93 3i8e n GLN 186 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3i8e n GLN 186 Cb 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.69 3i8e n GLN 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i8e n GLY 187 N 1.70 1.06 3.75 1.08 0.00 -0.02 -5.10 105.19 107.66 3i8e n GLY 187 Ca -0.25 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 3i8e n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8e s ARG 188 N -1.06 4.53 0.18 1.61 0.52 -1.26 -3.96 118.95 119.51 3i8e s ARG 188 Ca 0.00 1.92 0.07 0.00 -0.52 0.00 0.00 55.73 57.21 3i8e s ARG 188 Cb 0.00 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 3i8e s ARG 188 CO 0.00 0.03 -0.15 -1.01 0.02 0.00 0.00 175.30 174.19 3i8e s HIS 189 N -0.83 1.67 -0.08 -0.53 3.76 -0.67 -2.31 115.29 116.30 3i8e s HIS 189 Ca 0.48 -0.56 0.01 0.00 -0.15 0.00 0.00 55.06 54.84 3i8e s HIS 189 Cb -0.34 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 32.52 3i8e s HIS 189 CO 0.42 0.31 -0.08 0.54 -0.85 0.00 0.00 174.74 175.08 3i8e s VAL 190 N -2.70 3.58 0.06 -0.90 0.11 -0.31 -0.68 120.40 119.56 3i8e s VAL 190 Ca 0.19 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 3i8e s VAL 190 Cb -0.02 -2.47 -0.02 0.00 -1.53 0.00 0.00 36.38 32.34 3i8e s VAL 190 CO 0.06 0.58 0.06 -0.75 -3.33 0.00 0.00 175.10 171.72 3i8e s LYS 191 N -0.60 0.68 0.02 1.54 2.20 -0.89 -1.27 119.74 121.42 3i8e s LYS 191 Ca 0.09 -1.06 0.04 0.00 -0.36 0.00 0.00 55.97 54.68 3i8e s LYS 191 Cb -0.12 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.44 3i8e s LYS 191 CO 0.02 -0.17 -0.11 0.95 -0.36 0.00 0.00 175.35 175.68 3i8e s THR 192 N -3.68 0.86 -0.00 3.43 -4.23 -1.26 -2.58 115.64 108.17 3i8e s THR 192 Ca 0.04 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.81 3i8e s THR 192 Cb 0.05 -0.78 -0.01 0.00 1.34 0.00 0.00 72.50 73.11 3i8e s THR 192 CO -0.09 0.02 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.60 3i8e s TYR 193 N -0.68 0.83 0.91 3.99 1.51 -1.24 -2.78 117.35 119.89 3i8e s TYR 193 Ca 0.00 -0.17 -0.12 0.00 -1.01 0.00 0.00 57.07 55.77 3i8e s TYR 193 Cb -0.06 -0.53 0.14 0.00 -0.11 0.00 0.00 41.96 41.39 3i8e s TYR 193 CO 0.00 -0.01 1.12 -1.21 -1.11 0.00 0.00 175.55 174.34 3i8e s GLU 194 N -0.29 1.17 -0.28 -0.62 2.02 -1.21 -1.76 118.70 117.73 3i8e s GLU 194 Ca 0.03 0.42 -0.01 0.00 0.02 0.00 0.00 54.97 55.44 3i8e s GLU 194 Cb -0.04 -1.83 0.09 0.00 0.10 0.00 0.00 34.13 32.45 3i8e s GLU 194 CO -0.00 -2.21 0.07 0.08 0.02 0.00 0.00 175.26 173.22 3i8e s VAL 195 N -3.18 0.98 -1.09 2.63 1.01 0.42 -4.39 120.40 116.78 3i8e s VAL 195 Ca 0.64 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 3i8e s VAL 195 Cb -0.16 -1.64 0.16 0.00 0.00 0.00 0.00 36.38 34.74 3i8e s VAL 195 CO 0.54 -0.53 1.28 -0.55 0.00 0.00 0.00 175.10 175.84 3i8e s SER 196 N 1.59 6.91 0.00 3.32 0.15 -1.19 -4.43 113.70 120.05 3i8e s SER 196 Ca 0.06 -2.66 0.04 0.00 0.70 0.00 0.00 55.95 54.10 3i8e s SER 196 Cb -0.17 -2.38 0.24 0.00 -1.71 0.00 0.00 66.02 61.99 3i8e s SER 196 CO -0.19 -0.83 0.88 0.00 1.20 0.00 0.00 173.24 174.29 3i8e n LEU 197 N 5.77 0.00 0.09 3.45 -0.00 -1.26 -0.05 117.00 125.00 3i8e n LEU 197 Ca 0.30 0.17 -0.05 0.00 -0.00 0.00 0.00 56.01 56.43 3i8e n LEU 197 Cb 0.45 -0.17 -0.03 0.00 -0.00 0.00 0.00 43.42 43.68 3i8e n LEU 197 CO 0.56 -0.14 0.15 -0.09 -0.00 0.00 0.00 177.39 177.86 3i8e h ARG 198 N 0.00 -0.31 -0.02 1.47 9.65 -1.96 -3.37 114.38 119.84 3i8e h ARG 198 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3i8e h ARG 198 Cb 0.02 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 3i8e h ARG 198 CO 0.00 -0.18 -0.17 0.39 2.80 0.00 0.00 179.97 182.82 3i8e n GLU 199 N -4.99 1.57 -2.78 0.20 -0.58 -0.60 -4.95 120.64 108.50 3i8e n GLU 199 Ca -0.04 -1.14 -0.18 0.00 -0.42 0.00 0.00 57.16 55.38 3i8e n GLU 199 Cb 0.14 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3i8e n GLU 199 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3i8e n LYS 200 N 0.28 -2.96 -0.63 3.49 5.02 0.93 -4.99 118.16 119.29 3i8e n LYS 200 Ca 0.14 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 3i8e n LYS 200 Cb 0.45 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 3i8e n LYS 200 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i8e n GLU 201 N -3.30 2.54 -0.05 1.97 1.02 -1.22 -4.86 120.64 116.74 3i8e n GLU 201 Ca -0.12 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.90 3i8e n GLU 201 Cb 0.61 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.99 3i8e n GLU 201 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3i8e n PHE 202 N -0.25 0.00 -1.53 -0.32 3.72 -1.26 -3.14 117.46 114.67 3i8e n PHE 202 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 3i8e n PHE 202 Cb 0.00 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.13 3i8e n PHE 202 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3i8e n ASN 203 N -3.50 -4.27 -4.84 4.37 3.02 -1.26 -3.29 115.26 105.48 3i8e n ASN 203 Ca -0.22 0.66 -0.32 0.00 -0.03 0.00 0.00 54.58 54.67 3i8e n ASN 203 Cb 0.65 -1.85 -0.05 0.00 -0.61 0.00 0.00 39.78 37.91 3i8e n ASN 203 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3i8e s LYS 204 N -1.31 4.04 0.22 3.52 2.20 -1.26 -4.12 119.74 123.02 3i8e s LYS 204 Ca 0.00 0.86 0.01 0.00 -0.36 0.00 0.00 55.97 56.48 3i8e s LYS 204 Cb 0.00 -2.27 -0.04 0.00 -1.51 0.00 0.00 37.83 34.01 3i8e s LYS 204 CO 0.00 -0.03 0.39 0.20 -0.36 0.00 0.00 175.35 175.55 3i8e s GLY 205 N -2.54 1.63 0.40 5.54 0.00 -1.12 -3.49 107.32 107.74 3i8e s GLY 205 Ca 0.58 -0.93 0.24 0.00 0.00 0.00 0.00 44.72 44.61 3i8e s GLY 205 CO 0.21 -0.90 1.65 -2.55 0.00 0.00 0.00 173.10 171.50 3i8e h PRO 206 N 1.72 0.16 -4.09 2.90 0.11 -1.92 -3.42 132.00 127.47 3i8e h PRO 206 Ca -0.49 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.39 3i8e h PRO 206 Cb 1.20 -0.04 -0.24 0.00 0.11 0.00 0.00 31.00 32.04 3i8e h PRO 206 CO 0.66 0.11 -0.72 1.67 -0.21 0.00 0.00 178.00 179.51 3i8e s TRP 207 N -5.43 0.31 0.68 0.65 -2.14 -1.26 -5.07 118.94 106.68 3i8e s TRP 207 Ca -0.08 -0.35 -0.17 0.00 2.66 0.00 0.00 56.10 58.16 3i8e s TRP 207 Cb 0.30 -0.20 -0.02 0.00 -3.10 0.00 0.00 33.47 30.44 3i8e s TRP 207 CO 0.81 -0.10 0.90 1.63 -2.66 0.00 0.00 176.95 177.53 3i8e n LYS 208 N 2.07 0.61 -1.68 3.25 5.02 -1.26 -4.44 118.16 121.73 3i8e n LYS 208 Ca -0.20 0.26 -0.45 0.00 -2.02 0.00 0.00 58.31 55.90 3i8e n LYS 208 Cb 0.56 -2.15 -0.04 0.00 -0.02 0.00 0.00 35.03 33.39 3i8e n LYS 208 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3i8e n GLN 209 N -1.40 2.38 -4.20 1.97 7.27 -1.26 -4.90 117.38 117.23 3i8e n GLN 209 Ca 0.13 0.86 -0.26 0.00 0.07 0.00 0.00 57.00 57.80 3i8e n GLN 209 Cb 0.49 -2.69 -0.06 0.00 2.41 0.00 0.00 30.24 30.39 3i8e n GLN 209 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3i8e s GLU 210 N 2.20 2.22 0.36 3.69 0.41 -0.40 -4.97 118.70 122.21 3i8e s GLU 210 Ca 0.83 -1.98 -0.06 0.00 -0.41 0.00 0.00 54.97 53.35 3i8e s GLU 210 Cb -0.62 -1.92 -0.05 0.00 -1.78 0.00 0.00 34.13 29.76 3i8e s GLU 210 CO 0.41 -0.26 0.65 -0.80 -0.49 0.00 0.00 175.26 174.76 3i8e s ASN 211 N -3.97 6.42 0.17 -0.19 0.01 -1.26 -1.17 114.94 114.95 3i8e s ASN 211 Ca 0.33 0.83 -0.06 0.00 -0.71 0.00 0.00 52.86 53.26 3i8e s ASN 211 Cb 0.02 -2.20 -0.02 0.00 0.41 0.00 0.00 41.25 39.47 3i8e s ASN 211 CO 0.19 -0.32 0.22 0.68 -1.51 0.00 0.00 177.10 176.35 3i8e s VAL 212 N -2.29 0.05 1.00 1.60 -7.23 -0.98 -4.63 120.40 107.93 3i8e s VAL 212 Ca 0.46 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.86 3i8e s VAL 212 Cb -0.10 -2.07 0.19 0.00 0.56 0.00 0.00 36.38 34.95 3i8e s VAL 212 CO 0.33 -0.25 1.08 -1.83 -0.31 0.00 0.00 175.10 174.13 3i8e s GLU 213 N -4.03 0.39 0.00 4.82 -1.05 -1.26 -4.16 118.70 113.41 3i8e s GLU 213 Ca 0.24 0.98 0.01 0.00 -0.15 0.00 0.00 54.97 56.05 3i8e s GLU 213 Cb 0.05 -1.70 0.04 0.00 -0.44 0.00 0.00 34.13 32.08 3i8e s GLU 213 CO 0.04 -2.88 0.51 0.00 0.95 0.00 0.00 175.26 173.88 3i8e n ALA 214 N -4.34 1.97 -1.75 -0.84 0.00 -1.26 -2.75 120.51 111.54 3i8e n ALA 214 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3i8e n ALA 214 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3i8e n ALA 214 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i8e n GLU 215 N -0.52 0.00 -2.00 0.00 -0.58 -1.26 -4.94 120.64 111.33 3i8e n GLU 215 Ca 0.01 -0.48 -0.41 0.00 -0.42 0.00 0.00 57.16 55.86 3i8e n GLU 215 Cb 0.00 -0.30 -0.01 0.00 -0.57 0.00 0.00 31.44 30.55 3i8e n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8e s ALA 216 N 0.00 3.53 0.00 0.62 0.00 -1.11 -3.83 121.76 120.97 3i8e s ALA 216 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3i8e s ALA 216 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3i8e s ALA 216 CO 0.00 -0.79 0.24 -1.13 0.00 0.00 0.00 175.76 174.09 3i8e n SER 217 N 0.82 0.00 -3.79 0.00 3.41 -0.55 -4.95 113.62 108.55 3i8e n SER 217 Ca 0.01 -1.00 -0.13 0.00 -0.26 0.00 0.00 58.87 57.49 3i8e n SER 217 Cb 0.41 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 3i8e n SER 217 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3i8e s MET 218 N 0.00 0.49 -0.17 4.33 -1.94 -1.12 -4.81 119.30 116.08 3i8e s MET 218 Ca 0.00 0.01 0.01 0.00 -1.71 0.00 0.00 55.69 54.00 3i8e s MET 218 Cb 0.00 0.22 0.01 0.00 2.01 0.00 0.00 34.83 37.07 3i8e s MET 218 CO 0.00 -0.11 -0.19 0.08 -0.01 0.00 0.00 175.02 174.79 3i8e s VAL 219 N -0.73 2.20 -0.34 -6.03 1.01 -1.26 -2.74 120.40 112.51 3i8e s VAL 219 Ca -0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 3i8e s VAL 219 Cb -0.04 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3i8e s VAL 219 CO 0.02 0.53 0.20 -0.63 0.00 0.00 0.00 175.10 175.23 3i8e s ILE 220 N 1.12 4.87 0.41 2.22 1.01 0.11 -4.86 121.20 126.08 3i8e s ILE 220 Ca 0.01 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 3i8e s ILE 220 Cb -0.14 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 3i8e s ILE 220 CO -0.08 -0.05 1.05 0.00 0.00 0.00 0.00 174.94 175.86 3i8e s ALA 221 N 1.64 3.05 -0.11 9.38 0.00 -1.26 -0.01 121.76 134.45 3i8e s ALA 221 Ca 0.05 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.73 3i8e s ALA 221 Cb -0.18 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3i8e s ALA 221 CO 0.08 -0.23 -0.23 0.08 0.00 0.00 0.00 175.76 175.45 3i8e s VAL 222 N -1.71 2.03 0.67 0.00 1.01 -0.78 -4.90 120.40 116.72 3i8e s VAL 222 Ca 0.59 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 3i8e s VAL 222 Cb -0.21 -1.77 -0.11 0.00 0.00 0.00 0.00 36.38 34.29 3i8e s VAL 222 CO 0.26 0.55 -0.85 -2.65 0.00 0.00 0.00 175.10 172.41 3i8e n PRO 223 N 3.63 0.00 -0.14 2.72 -0.02 -1.26 -3.45 135.00 136.48 3i8e n PRO 223 Ca -0.19 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.24 3i8e n PRO 223 Cb 0.53 -0.79 0.02 0.00 -0.02 0.00 0.00 33.50 33.23 3i8e n PRO 223 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3i8e h GLU 224 N -1.04 -0.06 0.00 -0.52 4.39 -1.90 0.80 114.58 116.25 3i8e h GLU 224 Ca -0.21 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.38 3i8e h GLU 224 Cb 0.76 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 3i8e h GLU 224 CO 0.11 -0.04 -0.53 -1.35 -1.16 0.00 0.00 179.01 176.04 3i8e h PRO 225 N -0.06 0.00 0.00 2.33 0.11 -1.90 -3.34 132.00 129.14 3i8e h PRO 225 Ca 0.22 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.95 3i8e h PRO 225 Cb 0.39 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.44 3i8e h PRO 225 CO -0.49 0.53 -2.13 1.19 -0.21 0.00 0.00 178.00 176.89 3i8e n PHE 226 N -3.62 0.25 -1.93 0.65 3.01 -1.18 -4.50 117.46 110.15 3i8e n PHE 226 Ca -0.00 0.11 0.10 0.00 1.01 0.00 0.00 57.45 58.66 3i8e n PHE 226 Cb 0.60 -0.99 -0.02 0.00 -0.01 0.00 0.00 39.48 39.06 3i8e n PHE 226 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i8e n GLY 227 N 1.31 -1.84 3.14 1.37 0.00 0.27 -5.04 105.19 104.39 3i8e n GLY 227 Ca -0.47 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3i8e n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8e n GLY 228 N -2.38 -2.30 3.15 -0.02 0.00 -1.26 -4.65 105.19 97.73 3i8e n GLY 228 Ca 0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 3i8e n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8e s ALA 229 N -1.08 1.47 -0.26 4.61 0.00 0.26 -1.87 121.76 124.91 3i8e s ALA 229 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 3i8e s ALA 229 Cb 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3i8e s ALA 229 CO 0.00 0.32 0.08 0.42 0.00 0.00 0.00 175.76 176.57 3i8e s ILE 230 N -0.20 4.29 -0.30 0.00 1.01 0.98 0.98 121.20 127.95 3i8e s ILE 230 Ca 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 3i8e s ILE 230 Cb -0.09 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 3i8e s ILE 230 CO 0.01 0.30 0.13 -0.63 0.00 0.00 0.00 174.94 174.75 3i8e s ILE 231 N 1.60 4.42 -0.03 2.92 1.09 -1.16 0.10 121.20 130.14 3i8e s ILE 231 Ca 0.06 -0.49 -0.09 0.00 -1.10 0.00 0.00 60.65 59.03 3i8e s ILE 231 Cb -0.15 -3.26 -0.05 0.00 -1.06 0.00 0.00 42.46 37.94 3i8e s ILE 231 CO 0.04 0.08 0.28 -0.63 -0.10 0.00 0.00 174.94 174.60 3i8e s ILE 232 N 1.58 5.27 0.00 2.92 1.01 -1.11 -1.32 121.20 129.56 3i8e s ILE 232 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3i8e s ILE 232 Cb -0.17 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.74 3i8e s ILE 232 CO 0.05 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3i8e n GLY 233 N 1.59 5.40 3.78 6.18 0.00 -1.04 -1.49 105.19 119.63 3i8e n GLY 233 Ca -0.15 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 3i8e n GLY 233 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i8e s GLN 234 N 4.60 2.86 0.00 1.61 2.00 -1.25 -4.51 119.66 124.97 3i8e s GLN 234 Ca 0.00 -0.84 0.00 0.00 -2.00 0.00 0.00 55.36 52.52 3i8e s GLN 234 Cb 0.00 -2.64 0.00 0.00 0.80 0.00 0.00 33.01 31.17 3i8e s GLN 234 CO 0.00 0.50 0.00 -0.85 -0.50 0.00 0.00 175.29 174.44 3i8e n GLU 235 N -0.14 0.00 -3.94 1.67 0.28 -1.26 -4.76 120.64 112.49 3i8e n GLU 235 Ca -0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.78 3i8e n GLU 235 Cb 0.54 -2.34 -0.14 0.00 1.43 0.00 0.00 31.44 30.92 3i8e n GLU 235 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3i8e s SER 236 N -0.29 0.18 -0.12 -1.84 0.15 -1.26 -3.41 113.70 107.11 3i8e s SER 236 Ca 0.00 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.65 3i8e s SER 236 Cb 0.00 -0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.29 3i8e s SER 236 CO 0.00 0.00 -0.19 -0.63 1.20 0.00 0.00 173.24 173.62 3i8e s ILE 237 N 0.09 1.80 0.48 6.45 1.01 0.35 -2.48 121.20 128.90 3i8e s ILE 237 Ca -0.01 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.88 3i8e s ILE 237 Cb -0.02 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 3i8e s ILE 237 CO -0.00 0.50 0.31 0.42 0.00 0.00 0.00 174.94 176.17 3i8e s THR 238 N 0.86 2.00 -0.01 2.92 -4.23 -0.43 -0.96 115.64 115.77 3i8e s THR 238 Ca -0.08 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3i8e s THR 238 Cb -0.15 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.15 3i8e s THR 238 CO -0.01 0.00 0.01 -0.47 -0.54 0.00 0.00 174.62 173.61 3i8e s TYR 239 N -2.67 0.12 -0.08 3.99 5.04 0.21 -3.01 117.35 120.95 3i8e s TYR 239 Ca 0.37 0.04 0.03 0.00 -2.44 0.00 0.00 57.07 55.07 3i8e s TYR 239 Cb -0.00 -0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.11 3i8e s TYR 239 CO 0.22 -0.06 -0.19 -1.01 -1.34 0.00 0.00 175.55 173.17 3i8e s HIS 240 N 0.58 2.01 -0.02 4.97 3.76 0.28 -2.87 115.29 124.01 3i8e s HIS 240 Ca -0.05 -0.76 0.02 0.00 -0.15 0.00 0.00 55.06 54.12 3i8e s HIS 240 Cb -0.08 -1.38 0.03 0.00 1.11 0.00 0.00 32.58 32.26 3i8e s HIS 240 CO -0.01 -0.32 0.80 -1.71 -0.85 0.00 0.00 174.74 172.65 3i8e n ASN 241 N 3.56 0.78 0.00 1.40 2.85 -1.04 0.91 115.26 123.73 3i8e n ASN 241 Ca -0.20 -1.70 0.00 0.00 -0.11 0.00 0.00 54.58 52.57 3i8e n ASN 241 Cb 0.52 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.45 3i8e n ASN 241 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i8e n GLY 242 N -0.30 1.26 0.00 8.20 0.00 -1.26 -4.07 105.19 109.03 3i8e n GLY 242 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3i8e n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i8e n ASP 243 N 1.52 0.78 -4.49 1.61 9.92 -1.26 -4.81 116.55 119.82 3i8e n ASP 243 Ca 0.00 -0.56 -0.29 0.00 -0.53 0.00 0.00 54.79 53.41 3i8e n ASP 243 Cb 0.00 1.35 -0.11 0.00 -0.64 0.00 0.00 41.12 41.72 3i8e n ASP 243 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3i8e s LYS 244 N -2.98 1.81 -0.28 -1.24 2.47 -1.26 -5.11 119.74 113.15 3i8e s LYS 244 Ca 0.01 -1.16 0.00 0.00 -1.56 0.00 0.00 55.97 53.26 3i8e s LYS 244 Cb 0.13 -2.12 0.15 0.00 -1.46 0.00 0.00 37.83 34.53 3i8e s LYS 244 CO 0.77 0.48 0.38 -0.47 0.16 0.00 0.00 175.35 176.68 3i8e s TYR 245 N -1.13 -0.87 -0.08 4.03 5.04 -1.26 -2.49 117.35 120.59 3i8e s TYR 245 Ca 0.18 0.39 0.01 0.00 -2.44 0.00 0.00 57.07 55.21 3i8e s TYR 245 Cb -0.11 -0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.02 3i8e s TYR 245 CO 0.10 -0.90 -0.12 -0.51 -1.34 0.00 0.00 175.55 172.79 3i8e s LEU 246 N 2.51 2.86 0.03 6.97 1.43 -1.14 -4.95 118.68 126.40 3i8e s LEU 246 Ca 0.10 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3i8e s LEU 246 Cb -0.13 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 3i8e s LEU 246 CO -0.26 0.29 -0.05 0.00 0.23 0.00 0.00 176.35 176.55 3i8e s ALA 247 N -0.37 0.33 -0.06 4.21 0.00 -1.26 0.66 121.76 125.27 3i8e s ALA 247 Ca 0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 3i8e s ALA 247 Cb -0.12 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.10 3i8e s ALA 247 CO 0.02 -0.07 0.13 0.96 0.00 0.00 0.00 175.76 176.80 3i8e s ILE 248 N -1.21 -0.04 -0.67 0.00 -4.36 -0.14 -5.00 121.20 109.78 3i8e s ILE 248 Ca -0.11 0.16 0.05 0.00 -0.26 0.00 0.00 60.65 60.49 3i8e s ILE 248 Cb -0.09 -0.21 0.29 0.00 1.25 0.00 0.00 42.46 43.71 3i8e s ILE 248 CO -0.00 0.07 0.94 0.00 0.24 0.00 0.00 174.94 176.19 3i8e n ALA 249 N 4.06 4.51 -2.70 2.27 0.00 -1.26 -0.49 120.51 126.91 3i8e n ALA 249 Ca -0.25 -4.74 -0.41 0.00 0.00 0.00 0.00 53.44 48.03 3i8e n ALA 249 Cb 0.52 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 3i8e n ALA 249 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i8e s PRO 250 N -3.01 4.51 0.48 0.00 0.04 -1.22 -4.91 135.00 130.89 3i8e s PRO 250 Ca 0.43 1.20 0.28 0.00 0.04 0.00 0.00 61.00 62.95 3i8e s PRO 250 Cb 0.20 -3.45 1.35 0.00 0.04 0.00 0.00 34.50 32.63 3i8e s PRO 250 CO -0.06 0.01 1.80 -1.35 0.04 0.00 0.00 177.00 177.44 3i8e h PRO 251 N 6.73 0.17 -0.31 0.56 0.11 -1.98 -2.73 132.00 134.54 3i8e h PRO 251 Ca -0.41 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.74 3i8e h PRO 251 Cb 1.21 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3i8e h PRO 251 CO 0.75 0.11 0.00 0.97 -0.21 0.00 0.00 178.00 179.62 3i8e h ILE 252 N 0.17 0.78 0.00 4.15 2.10 -1.95 -1.55 117.51 121.21 3i8e h ILE 252 Ca 0.56 -0.03 -0.05 0.00 1.08 0.00 0.00 64.86 66.42 3i8e h ILE 252 Cb 1.88 0.68 -0.01 0.00 -1.09 0.00 0.00 36.82 38.27 3i8e h ILE 252 CO -0.14 0.02 -0.24 0.16 -1.08 0.00 0.00 178.15 176.87 3i8e h ILE 253 N 0.09 0.78 -0.19 2.19 3.07 -1.84 -3.28 117.51 118.34 3i8e h ILE 253 Ca 0.15 -0.98 0.05 0.00 1.55 0.00 0.00 64.86 65.63 3i8e h ILE 253 Cb 0.20 1.60 -0.07 0.00 -0.27 0.00 0.00 36.82 38.27 3i8e h ILE 253 CO -0.25 0.24 -0.37 0.50 -1.05 0.00 0.00 178.15 177.22 3i8e h LYS 254 N 0.00 -0.40 -1.06 0.16 3.64 -1.34 -3.01 116.57 114.56 3i8e h LYS 254 Ca -0.00 0.03 0.31 0.00 -1.27 0.00 0.00 60.65 59.71 3i8e h LYS 254 Cb 0.58 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 3i8e h LYS 254 CO 0.03 -0.26 1.22 1.96 -2.27 0.00 0.00 179.45 180.13 3i8e h GLN 255 N -0.41 0.00 -3.57 1.90 4.20 -1.62 -3.42 115.11 112.19 3i8e h GLN 255 Ca 0.10 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.66 3i8e h GLN 255 Cb 0.58 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 3i8e h GLN 255 CO -0.41 0.00 0.04 0.45 -0.67 0.00 0.00 178.83 178.24 3i8e s SER 256 N -3.49 0.46 -0.18 1.46 0.15 -1.14 -5.06 113.70 105.90 3i8e s SER 256 Ca -0.03 -1.31 -0.14 0.00 0.70 0.00 0.00 55.95 55.17 3i8e s SER 256 Cb 0.14 0.76 -0.05 0.00 -1.71 0.00 0.00 66.02 65.17 3i8e s SER 256 CO 0.48 -1.49 0.30 -0.89 1.20 0.00 0.00 173.24 172.85 3i8e s THR 257 N -2.71 5.29 -0.27 6.45 2.01 -1.26 -4.85 115.64 120.30 3i8e s THR 257 Ca 0.23 0.55 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 3i8e s THR 257 Cb -0.03 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3i8e s THR 257 CO 0.16 0.36 1.79 -0.63 -0.69 0.00 0.00 174.62 175.60 3i8e s ILE 258 N 0.70 3.48 -0.14 1.82 1.09 -1.26 -2.50 121.20 124.39 3i8e s ILE 258 Ca 0.16 0.51 0.09 0.00 -1.10 0.00 0.00 60.65 60.31 3i8e s ILE 258 Cb -0.13 -3.57 -0.23 0.00 -1.06 0.00 0.00 42.46 37.46 3i8e s ILE 258 CO 0.05 -0.32 0.28 0.55 -0.10 0.00 0.00 174.94 175.40 3i8e n VAL 259 N 7.06 1.55 -3.82 2.92 3.14 0.11 -4.97 118.33 124.32 3i8e n VAL 259 Ca 0.22 -0.76 -0.13 0.00 -2.96 0.00 0.00 64.34 60.72 3i8e n VAL 259 Cb 0.46 -1.03 -0.13 0.00 -1.06 0.00 0.00 33.84 32.07 3i8e n VAL 259 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i8e n HIS 261 N 3.26 0.36 0.00 0.00 1.44 -1.26 0.94 115.22 119.97 3i8e n HIS 261 Ca -0.15 -2.35 0.00 0.00 -2.01 0.00 0.00 57.72 53.21 3i8e n HIS 261 Cb 0.58 -0.37 0.00 0.00 0.12 0.00 0.00 29.99 30.31 3i8e n HIS 261 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 3i8e n ASN 262 N -1.54 0.00 -4.77 4.39 5.15 -0.95 -4.69 115.26 112.85 3i8e n ASN 262 Ca -0.12 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.48 3i8e n ASN 262 Cb 0.62 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.82 3i8e n ASN 262 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3i8e s ARG 263 N -0.44 4.50 -0.18 1.20 3.52 -1.26 0.12 118.95 126.41 3i8e s ARG 263 Ca 0.00 1.52 -0.13 0.00 -0.13 0.00 0.00 55.73 56.99 3i8e s ARG 263 Cb 0.00 -2.87 -0.07 0.00 -1.56 0.00 0.00 34.95 30.44 3i8e s ARG 263 CO 0.00 0.16 -0.29 0.28 -0.81 0.00 0.00 175.30 174.65 3i8e n VAL 264 N 0.63 1.33 -4.03 7.11 0.31 0.70 -4.56 118.33 119.83 3i8e n VAL 264 Ca 0.02 -0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.91 3i8e n VAL 264 Cb 0.48 -1.99 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 3i8e n VAL 264 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i8e s ASP 265 N -6.52 5.72 0.61 4.52 1.01 -1.23 -5.00 116.67 115.78 3i8e s ASP 265 Ca -0.28 0.17 0.32 0.00 0.71 0.00 0.00 52.55 53.47 3i8e s ASP 265 Cb 0.08 -1.91 1.82 0.00 1.01 0.00 0.00 42.92 43.92 3i8e s ASP 265 CO 0.37 0.25 2.14 1.55 0.21 0.00 0.00 175.17 179.70 3i8e h PRO 266 N 6.13 0.00 -0.28 8.23 0.13 -1.94 0.20 132.00 144.47 3i8e h PRO 266 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3i8e h PRO 266 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3i8e h PRO 266 CO 0.66 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.70 3i8e n ASN 267 N -3.55 0.36 -1.41 1.44 6.94 -1.26 -4.78 115.26 113.00 3i8e n ASN 267 Ca -0.00 -2.01 -0.17 0.00 -0.02 0.00 0.00 54.58 52.38 3i8e n ASN 267 Cb 0.26 -0.15 -0.07 0.00 -2.36 0.00 0.00 39.78 37.47 3i8e n ASN 267 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i8e n GLY 268 N 0.38 1.52 0.20 4.83 0.00 0.70 -4.77 105.19 108.06 3i8e n GLY 268 Ca 0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 3i8e n GLY 268 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i8e h SER 269 N 0.00 0.54 -3.69 1.61 4.64 -1.89 -3.46 113.55 111.30 3i8e h SER 269 Ca -0.36 -0.29 -0.37 0.00 -0.47 0.00 0.00 61.79 60.29 3i8e h SER 269 Cb 1.16 -0.16 -0.31 0.00 -0.31 0.00 0.00 62.40 62.78 3i8e h SER 269 CO 0.52 0.99 -0.76 -0.13 -0.87 0.00 0.00 176.83 176.58 3i8e s ARG 270 N -3.95 0.62 0.27 4.77 0.52 -1.26 -2.35 118.95 117.56 3i8e s ARG 270 Ca -0.07 -0.14 0.08 0.00 -0.52 0.00 0.00 55.73 55.09 3i8e s ARG 270 Cb 0.11 -0.63 -0.05 0.00 0.52 0.00 0.00 34.95 34.90 3i8e s ARG 270 CO 0.83 0.02 -0.12 0.71 0.02 0.00 0.00 175.30 176.76 3i8e s TYR 271 N 0.42 2.00 0.05 -0.53 1.51 0.50 -0.21 117.35 121.09 3i8e s TYR 271 Ca -0.05 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.49 3i8e s TYR 271 Cb -0.09 -1.03 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 3i8e s TYR 271 CO -0.00 0.43 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.33 3i8e s LEU 272 N -3.44 3.36 -0.05 -1.29 1.43 0.32 -1.04 118.68 117.97 3i8e s LEU 272 Ca 0.28 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3i8e s LEU 272 Cb 0.01 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.22 3i8e s LEU 272 CO 0.12 0.22 -0.06 -0.76 0.23 0.00 0.00 176.35 176.10 3i8e s LEU 273 N -1.92 1.40 -0.01 1.79 1.43 0.14 -2.24 118.68 119.28 3i8e s LEU 273 Ca 0.22 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 3i8e s LEU 273 Cb -0.11 -0.52 -0.05 0.00 0.03 0.00 0.00 46.19 45.53 3i8e s LEU 273 CO 0.13 -0.04 0.31 -0.83 0.23 0.00 0.00 176.35 176.16 3i8e s GLY 274 N 0.85 2.31 0.14 -3.19 0.00 0.27 -1.19 107.32 106.51 3i8e s GLY 274 Ca -0.12 -0.45 0.10 0.00 0.00 0.00 0.00 44.72 44.24 3i8e s GLY 274 CO 0.01 -0.20 -0.19 -0.35 0.00 0.00 0.00 173.10 172.37 3i8e s ASP 275 N -1.41 3.78 0.62 1.64 3.68 -1.02 0.09 116.67 124.05 3i8e s ASP 275 Ca 0.25 -0.64 0.38 0.00 2.13 0.00 0.00 52.55 54.67 3i8e s ASP 275 Cb -0.14 -0.47 2.05 0.00 -1.45 0.00 0.00 42.92 42.90 3i8e s ASP 275 CO 0.13 0.16 2.15 -0.03 0.13 0.00 0.00 175.17 177.71 3i8e h MET 276 N 3.57 0.00 0.00 4.34 1.85 -1.84 -2.41 114.93 120.44 3i8e h MET 276 Ca -0.49 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.58 3i8e h MET 276 Cb 1.18 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.21 3i8e h MET 276 CO 0.46 0.00 -0.69 0.93 -0.40 0.00 0.00 176.91 177.21 3i8e h GLU 277 N 0.00 0.00 0.00 0.39 4.39 -1.95 -3.48 114.58 113.93 3i8e h GLU 277 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i8e h GLU 277 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3i8e h GLU 277 CO 0.00 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 3i8e n GLY 278 N 1.17 1.86 3.58 -3.84 0.00 -0.91 -4.91 105.19 102.15 3i8e n GLY 278 Ca 0.01 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 3i8e n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8e n ARG 279 N 0.00 1.30 -4.08 1.61 1.74 -1.26 -2.36 116.66 113.61 3i8e n ARG 279 Ca 0.00 0.46 -0.33 0.00 -0.77 0.00 0.00 57.85 57.21 3i8e n ARG 279 Cb 0.00 -1.85 -0.15 0.00 -1.02 0.00 0.00 32.46 29.43 3i8e n ARG 279 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3i8e s LEU 280 N 0.38 2.81 0.25 0.55 2.96 -0.94 -2.43 118.68 122.25 3i8e s LEU 280 Ca 0.60 -0.98 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 3i8e s LEU 280 Cb -0.67 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 3i8e s LEU 280 CO 0.59 -0.09 0.24 -0.36 -1.32 0.00 0.00 176.35 175.41 3i8e s PHE 281 N 1.22 3.20 -0.32 5.38 0.40 -0.34 -1.23 117.98 126.29 3i8e s PHE 281 Ca -0.01 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 3i8e s PHE 281 Cb -0.16 -1.45 0.08 0.00 0.51 0.00 0.00 43.02 42.00 3i8e s PHE 281 CO -0.09 0.50 0.03 1.41 0.70 0.00 0.00 175.22 177.78 3i8e s MET 282 N -3.85 2.04 -0.41 0.44 -2.45 -0.93 -0.68 119.30 113.46 3i8e s MET 282 Ca 0.33 -1.57 -0.25 0.00 -1.25 0.00 0.00 55.69 52.95 3i8e s MET 282 Cb -0.08 -3.21 0.02 0.00 1.25 0.00 0.00 34.83 32.81 3i8e s MET 282 CO 0.26 -0.79 0.90 -1.17 1.05 0.00 0.00 175.02 175.27 3i8e s LEU 283 N 1.10 4.03 -0.09 4.11 1.98 -0.20 -2.74 118.68 126.87 3i8e s LEU 283 Ca 0.01 0.35 0.04 0.00 -2.89 0.00 0.00 54.13 51.64 3i8e s LEU 283 Cb -0.20 -3.19 -0.01 0.00 0.66 0.00 0.00 46.19 43.45 3i8e s LEU 283 CO -0.05 -0.91 -0.21 -0.76 -1.89 0.00 0.00 176.35 172.53 3i8e s LEU 284 N 3.52 2.26 0.05 -0.68 1.43 -0.78 -0.37 118.68 124.10 3i8e s LEU 284 Ca 0.36 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3i8e s LEU 284 Cb -0.11 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3i8e s LEU 284 CO 0.21 0.20 -0.10 -0.76 0.23 0.00 0.00 176.35 176.14 3i8e s LEU 285 N 0.09 3.03 -0.29 1.79 1.43 -0.99 -1.75 118.68 121.99 3i8e s LEU 285 Ca -0.10 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3i8e s LEU 285 Cb -0.16 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.34 3i8e s LEU 285 CO 0.06 0.24 -0.04 -0.70 0.23 0.00 0.00 176.35 176.13 3i8e s GLU 286 N -1.72 2.27 0.14 1.70 2.12 0.35 -4.91 118.70 118.64 3i8e s GLU 286 Ca 0.18 -1.36 -0.18 0.00 0.36 0.00 0.00 54.97 53.97 3i8e s GLU 286 Cb -0.11 -3.05 -0.07 0.00 0.26 0.00 0.00 34.13 31.16 3i8e s GLU 286 CO 0.10 -0.63 0.62 -1.59 -0.54 0.00 0.00 175.26 173.22 3i8e s LYS 287 N 1.15 4.18 -0.57 4.30 -2.85 -1.26 -1.15 119.74 123.54 3i8e s LYS 287 Ca -0.06 0.73 0.06 0.00 -1.00 0.00 0.00 55.97 55.71 3i8e s LYS 287 Cb -0.20 -3.05 0.24 0.00 -2.06 0.00 0.00 37.83 32.76 3i8e s LYS 287 CO -0.04 0.52 0.65 -0.85 0.10 0.00 0.00 175.35 175.73 3i8e n GLU 288 N 1.16 1.88 -1.32 1.78 0.28 -1.26 -4.92 120.64 118.25 3i8e n GLU 288 Ca -0.06 -4.21 -0.52 0.00 -0.16 0.00 0.00 57.16 52.21 3i8e n GLU 288 Cb 0.51 -1.96 -0.07 0.00 1.43 0.00 0.00 31.44 31.35 3i8e n GLU 288 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3i8e n GLU 289 N 1.18 0.00 0.00 3.44 2.13 -1.26 -4.63 120.64 121.50 3i8e n GLU 289 Ca 0.27 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.09 3i8e n GLU 289 Cb 0.44 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.85 3i8e n GLU 289 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i8e n GLN 290 N 1.30 0.00 -3.84 5.31 10.64 -1.26 -5.03 117.38 124.50 3i8e n GLN 290 Ca 0.18 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.25 3i8e n GLN 290 Cb 0.08 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.39 3i8e n GLN 290 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 3i8e s MET 291 N 2.29 0.99 -1.00 2.61 -2.45 -1.26 -4.99 119.30 115.48 3i8e s MET 291 Ca 0.00 -0.97 -0.17 0.00 -1.25 0.00 0.00 55.69 53.30 3i8e s MET 291 Cb 0.00 0.38 0.02 0.00 1.25 0.00 0.00 34.83 36.48 3i8e s MET 291 CO 0.00 -0.35 0.63 -0.25 1.05 0.00 0.00 175.02 176.10 3i8e n ASP 292 N -0.14 -4.39 0.00 1.11 9.92 -1.26 -4.75 116.55 117.03 3i8e n ASP 292 Ca -0.13 -1.13 0.00 0.00 -0.53 0.00 0.00 54.79 53.00 3i8e n ASP 292 Cb 0.63 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.54 3i8e n ASP 292 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i8e n GLY 293 N -1.86 -0.58 0.00 0.44 0.00 -1.26 -5.14 105.19 96.79 3i8e n GLY 293 Ca -0.22 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3i8e n GLY 293 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i8e n THR 294 N 0.04 0.00 -4.68 2.61 -1.04 -1.26 -5.06 114.28 104.88 3i8e n THR 294 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3i8e n THR 294 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 3i8e n THR 294 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i8e s VAL 295 N 2.95 1.37 0.00 12.58 -7.23 -1.26 -4.01 120.40 124.80 3i8e s VAL 295 Ca 0.00 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 3i8e s VAL 295 Cb 0.00 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.60 3i8e s VAL 295 CO 0.00 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.86 3i8e n THR 296 N -1.23 0.00 -3.55 5.32 5.66 -1.26 -4.93 114.28 114.29 3i8e n THR 296 Ca -0.15 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.72 3i8e n THR 296 Cb 0.67 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.34 3i8e n THR 296 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i8e s LEU 297 N 0.00 -0.39 -0.22 1.09 1.02 -1.26 -4.29 118.68 114.63 3i8e s LEU 297 Ca 0.00 0.38 -0.21 0.00 0.02 0.00 0.00 54.13 54.32 3i8e s LEU 297 Cb 0.00 0.83 -0.18 0.00 0.02 0.00 0.00 46.19 46.85 3i8e s LEU 297 CO 0.00 -0.27 0.15 1.17 0.02 0.00 0.00 176.35 177.42 3i8e n LYS 298 N 5.35 0.57 -3.70 1.70 4.81 -0.30 -4.98 118.16 121.61 3i8e n LYS 298 Ca -0.06 0.54 -0.12 0.00 -0.87 0.00 0.00 58.31 57.81 3i8e n LYS 298 Cb 0.50 -1.72 -0.06 0.00 0.02 0.00 0.00 35.03 33.76 3i8e n LYS 298 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3i8e s ASP 299 N -6.93 -0.20 0.09 3.14 2.15 -1.24 -5.04 116.67 108.64 3i8e s ASP 299 Ca -0.30 -0.15 0.02 0.00 0.43 0.00 0.00 52.55 52.56 3i8e s ASP 299 Cb 0.07 0.41 -0.04 0.00 -0.30 0.00 0.00 42.92 43.06 3i8e s ASP 299 CO 0.58 -0.68 -0.08 -1.48 -0.17 0.00 0.00 175.17 173.34 3i8e s LEU 300 N -2.20 2.45 0.32 -1.34 2.34 -1.26 -0.50 118.68 118.49 3i8e s LEU 300 Ca -0.03 -0.90 -0.19 0.00 0.06 0.00 0.00 54.13 53.07 3i8e s LEU 300 Cb -0.00 -0.16 0.03 0.00 -0.56 0.00 0.00 46.19 45.50 3i8e s LEU 300 CO -0.05 -0.37 0.73 -0.60 -1.06 0.00 0.00 176.35 175.00 3i8e s ARG 301 N -3.28 1.94 -0.17 1.48 3.00 -0.72 -4.92 118.95 116.28 3i8e s ARG 301 Ca 0.08 -1.17 -0.02 0.00 -1.00 0.00 0.00 55.73 53.62 3i8e s ARG 301 Cb 0.01 0.61 0.05 0.00 0.00 0.00 0.00 34.95 35.62 3i8e s ARG 301 CO -0.03 -0.89 0.00 0.08 0.00 0.00 0.00 175.30 174.46 3i8e s VAL 302 N -3.35 0.74 0.53 7.11 1.01 -1.26 -1.87 120.40 123.30 3i8e s VAL 302 Ca 0.13 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 3i8e s VAL 302 Cb -0.05 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3i8e s VAL 302 CO 0.09 -0.05 0.85 -1.61 0.00 0.00 0.00 175.10 174.39 3i8e s GLU 303 N 1.78 3.40 -0.39 2.72 2.02 -1.11 -4.94 118.70 122.18 3i8e s GLU 303 Ca -0.00 0.25 -0.06 0.00 0.02 0.00 0.00 54.97 55.18 3i8e s GLU 303 Cb -0.16 -2.30 0.08 0.00 0.10 0.00 0.00 34.13 31.85 3i8e s GLU 303 CO -0.07 -0.39 0.19 -1.17 0.02 0.00 0.00 175.26 173.84 3i8e s LEU 304 N -4.88 4.93 0.24 1.80 2.96 -1.26 -2.19 118.68 120.27 3i8e s LEU 304 Ca 0.50 -1.63 -0.00 0.00 -0.22 0.00 0.00 54.13 52.78 3i8e s LEU 304 Cb -0.10 -1.88 0.26 0.00 0.50 0.00 0.00 46.19 44.97 3i8e s LEU 304 CO 0.46 -0.48 1.61 -0.07 -1.32 0.00 0.00 176.35 176.56 3i8e h LEU 305 N 8.20 0.54 0.00 -0.68 3.38 -1.50 -3.45 115.31 121.80 3i8e h LEU 305 Ca -0.19 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3i8e h LEU 305 Cb 1.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3i8e h LEU 305 CO 0.69 0.88 0.00 0.61 0.09 0.00 0.00 178.44 180.71 3i8e n GLY 306 N -0.06 -0.34 3.02 0.83 0.00 -1.17 -0.73 105.19 106.73 3i8e n GLY 306 Ca -0.02 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 3i8e n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8e s GLU 307 N -2.00 1.41 0.41 1.61 2.12 -1.26 -2.20 118.70 118.79 3i8e s GLU 307 Ca 0.00 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.00 3i8e s GLU 307 Cb 0.00 -1.22 -0.02 0.00 0.26 0.00 0.00 34.13 33.15 3i8e s GLU 307 CO 0.00 0.06 0.15 0.95 -0.54 0.00 0.00 175.26 175.88 3i8e s THR 308 N 0.49 0.51 0.69 -1.70 -4.23 -0.99 -4.93 115.64 105.48 3i8e s THR 308 Ca -0.10 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.26 3i8e s THR 308 Cb -0.13 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.40 3i8e s THR 308 CO 0.02 0.00 1.18 -0.44 -0.54 0.00 0.00 174.62 174.84 3i8e s SER 309 N -3.61 4.62 -0.53 3.99 0.01 -1.26 -4.53 113.70 112.39 3i8e s SER 309 Ca 0.24 2.25 -0.27 0.00 1.31 0.00 0.00 55.95 59.48 3i8e s SER 309 Cb 0.02 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 3i8e s SER 309 CO 0.16 -1.97 2.44 -0.38 0.41 0.00 0.00 173.24 173.89 3i8e n ILE 310 N -2.46 -0.06 -2.54 1.44 2.08 -1.26 -4.78 119.36 111.78 3i8e n ILE 310 Ca 0.13 -0.70 -0.42 0.00 0.56 0.00 0.00 62.75 62.31 3i8e n ILE 310 Cb 0.51 -2.54 -0.03 0.00 -0.75 0.00 0.00 39.64 36.82 3i8e n ILE 310 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i8e s ALA 311 N 11.75 3.40 -0.01 -1.39 0.00 -1.26 -3.97 121.76 130.27 3i8e s ALA 311 Ca 1.02 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 53.57 3i8e s ALA 311 Cb -0.30 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.36 3i8e s ALA 311 CO 0.29 -0.58 -0.02 0.39 0.00 0.00 0.00 175.76 175.84 3i8e n GLU 312 N 4.71 0.04 -3.05 0.00 -0.58 0.21 -4.69 120.64 117.27 3i8e n GLU 312 Ca 0.09 0.20 -0.34 0.00 -0.42 0.00 0.00 57.16 56.69 3i8e n GLU 312 Cb 0.48 -0.75 -0.06 0.00 -0.57 0.00 0.00 31.44 30.53 3i8e n GLU 312 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8e s LEU 314 N -2.56 1.03 -0.29 0.00 2.96 -1.26 -0.23 118.68 118.32 3i8e s LEU 314 Ca 0.51 0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 54.74 3i8e s LEU 314 Cb -0.13 0.92 0.14 0.00 0.50 0.00 0.00 46.19 47.62 3i8e s LEU 314 CO 0.19 -0.16 0.63 -0.89 -1.32 0.00 0.00 176.35 174.80 3i8e s THR 315 N -0.18 -0.98 0.24 3.68 2.01 -0.85 -4.79 115.64 114.77 3i8e s THR 315 Ca -0.03 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 3i8e s THR 315 Cb -0.03 -0.98 -0.09 0.00 0.01 0.00 0.00 72.50 71.41 3i8e s THR 315 CO 0.01 0.00 1.08 -0.47 -0.69 0.00 0.00 174.62 174.55 3i8e s TYR 316 N 2.88 3.65 0.00 4.92 5.04 -1.26 -0.30 117.35 132.27 3i8e s TYR 316 Ca -0.01 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 3i8e s TYR 316 Cb -0.13 -3.23 0.00 0.00 0.35 0.00 0.00 41.96 38.95 3i8e s TYR 316 CO -0.19 -0.41 0.00 1.28 -1.34 0.00 0.00 175.55 174.89 3i8e n LEU 317 N 1.65 0.00 0.00 6.97 4.77 0.14 -4.93 117.00 125.61 3i8e n LEU 317 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i8e n LEU 317 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3i8e n LEU 317 CO 0.53 0.00 0.20 -0.67 -1.33 0.00 0.00 177.39 176.13 3i8e n ASP 318 N 0.00 0.00 -3.70 -1.43 -0.08 -1.26 -4.70 116.55 105.38 3i8e n ASP 318 Ca 0.00 0.41 -0.29 0.00 -1.51 0.00 0.00 54.79 53.39 3i8e n ASP 318 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 3i8e n ASP 318 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 3i8e s ASN 319 N -1.92 3.63 0.00 1.67 0.01 -1.26 -4.71 114.94 112.36 3i8e s ASN 319 Ca 0.00 -2.55 0.00 0.00 -0.71 0.00 0.00 52.86 49.60 3i8e s ASN 319 Cb 0.00 -0.99 0.00 0.00 0.41 0.00 0.00 41.25 40.67 3i8e s ASN 319 CO 0.00 -0.28 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 3i8e n GLY 320 N 3.64 0.28 3.65 0.66 0.00 -1.26 -4.88 105.19 107.27 3i8e n GLY 320 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3i8e n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8e s VAL 321 N -1.63 5.14 -0.01 1.61 1.01 -1.26 0.82 120.40 126.07 3i8e s VAL 321 Ca 0.00 0.81 0.07 0.00 0.00 0.00 0.00 61.98 62.86 3i8e s VAL 321 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3i8e s VAL 321 CO 0.00 0.18 -0.22 -0.69 0.00 0.00 0.00 175.10 174.36 3i8e s VAL 322 N 1.74 1.77 -0.26 2.92 1.01 0.22 0.28 120.40 128.08 3i8e s VAL 322 Ca 0.21 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3i8e s VAL 322 Cb -0.15 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3i8e s VAL 322 CO 0.09 0.47 0.03 0.12 0.00 0.00 0.00 175.10 175.81 3i8e s PHE 323 N -0.56 3.08 -0.74 5.22 5.36 0.59 -0.12 117.98 130.81 3i8e s PHE 323 Ca 0.09 -0.98 -0.09 0.00 -0.96 0.00 0.00 56.93 54.98 3i8e s PHE 323 Cb -0.09 -2.19 0.20 0.00 -0.34 0.00 0.00 43.02 40.60 3i8e s PHE 323 CO -0.01 -0.56 0.63 0.08 -1.46 0.00 0.00 175.22 173.90 3i8e s VAL 324 N 1.48 4.78 -0.22 3.12 1.01 -0.88 -2.01 120.40 127.68 3i8e s VAL 324 Ca 0.03 -2.72 -0.29 0.00 0.00 0.00 0.00 61.98 59.00 3i8e s VAL 324 Cb -0.16 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 3i8e s VAL 324 CO 0.00 -0.97 1.27 -0.83 0.00 0.00 0.00 175.10 174.58 3i8e s GLY 325 N 1.46 1.53 0.08 4.51 0.00 0.68 -2.87 107.32 112.72 3i8e s GLY 325 Ca 0.18 0.30 0.07 0.00 0.00 0.00 0.00 44.72 45.27 3i8e s GLY 325 CO -0.06 2.52 -0.14 -0.45 0.00 0.00 0.00 173.10 174.97 3i8e s SER 326 N 2.30 4.09 -0.05 1.64 0.15 -1.26 0.64 113.70 121.21 3i8e s SER 326 Ca 0.55 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.81 3i8e s SER 326 Cb -0.19 -0.70 -0.06 0.00 -1.71 0.00 0.00 66.02 63.35 3i8e s SER 326 CO 0.18 0.21 0.01 -1.14 1.20 0.00 0.00 173.24 173.70 3i8e n ARG 327 N 1.01 3.07 0.00 5.44 0.63 -1.25 -2.61 116.66 122.95 3i8e n ARG 327 Ca -0.15 -0.00 0.14 0.00 -0.92 0.00 0.00 57.85 56.92 3i8e n ARG 327 Cb 0.52 -1.13 0.49 0.00 0.45 0.00 0.00 32.46 32.79 3i8e n ARG 327 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3i8e n LEU 328 N -2.20 1.00 0.00 6.15 4.77 -1.26 -4.01 117.00 121.45 3i8e n LEU 328 Ca -0.08 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3i8e n LEU 328 Cb 0.66 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3i8e n LEU 328 CO 0.11 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3i8e n GLY 329 N 1.27 2.24 3.69 -0.72 0.00 -1.26 -1.58 105.19 108.82 3i8e n GLY 329 Ca 0.15 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 3i8e n GLY 329 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i8e s ASP 330 N 1.02 7.07 0.98 1.61 1.01 -1.26 -4.59 116.67 122.52 3i8e s ASP 330 Ca 0.00 1.85 -0.11 0.00 0.71 0.00 0.00 52.55 55.00 3i8e s ASP 330 Cb 0.00 -2.56 0.18 0.00 1.01 0.00 0.00 42.92 41.55 3i8e s ASP 330 CO 0.00 -0.54 1.11 -0.44 0.21 0.00 0.00 175.17 175.51 3i8e s SER 331 N 1.37 2.43 0.20 0.27 0.01 -1.20 -4.63 113.70 112.15 3i8e s SER 331 Ca 0.56 2.01 -0.20 0.00 1.31 0.00 0.00 55.95 59.63 3i8e s SER 331 Cb -0.25 -2.50 0.04 0.00 0.21 0.00 0.00 66.02 63.52 3i8e s SER 331 CO 0.24 -3.38 0.60 0.00 0.41 0.00 0.00 173.24 171.11 3i8e s GLN 332 N -4.61 1.44 -0.10 12.44 -2.07 -1.14 -0.31 119.66 125.32 3i8e s GLN 332 Ca 0.67 -0.75 -0.04 0.00 -1.82 0.00 0.00 55.36 53.42 3i8e s GLN 332 Cb -0.23 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.22 3i8e s GLN 332 CO 0.60 -0.63 0.06 -1.17 -1.32 0.00 0.00 175.29 172.82 3i8e s LEU 333 N -2.84 3.90 -0.02 2.60 2.96 0.79 -2.07 118.68 124.01 3i8e s LEU 333 Ca 0.06 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3i8e s LEU 333 Cb -0.02 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.75 3i8e s LEU 333 CO -0.04 0.38 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.62 3i8e s VAL 334 N -0.87 0.52 -0.20 1.68 1.01 0.82 -1.12 120.40 122.24 3i8e s VAL 334 Ca 0.13 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 3i8e s VAL 334 Cb -0.12 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3i8e s VAL 334 CO 0.03 0.18 0.08 -0.75 0.00 0.00 0.00 175.10 174.64 3i8e s LYS 335 N 0.23 3.96 -0.45 2.72 2.47 0.66 0.73 119.74 130.06 3i8e s LYS 335 Ca -0.03 -0.34 -0.17 0.00 -1.56 0.00 0.00 55.97 53.87 3i8e s LYS 335 Cb -0.07 -3.30 0.04 0.00 -1.46 0.00 0.00 37.83 33.04 3i8e s LYS 335 CO -0.00 0.17 0.46 -0.51 0.16 0.00 0.00 175.35 175.63 3i8e s LEU 336 N 0.67 5.04 0.53 5.43 1.43 0.24 -0.49 118.68 131.53 3i8e s LEU 336 Ca 0.04 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.28 3i8e s LEU 336 Cb -0.13 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.76 3i8e s LEU 336 CO 0.01 -0.65 0.77 0.20 0.23 0.00 0.00 176.35 176.92 3i8e s ASN 337 N 2.11 5.52 0.15 2.29 0.02 -0.66 -4.63 114.94 119.75 3i8e s ASN 337 Ca 0.11 0.28 0.00 0.00 -1.02 0.00 0.00 52.86 52.22 3i8e s ASN 337 Cb -0.19 -1.31 -0.03 0.00 0.02 0.00 0.00 41.25 39.74 3i8e s ASN 337 CO 0.12 -0.99 1.36 -0.37 0.02 0.00 0.00 177.10 177.24 3i8e h VAL 338 N 0.11 1.46 -3.00 1.60 -1.51 -1.98 -3.46 116.25 109.47 3i8e h VAL 338 Ca -0.45 -2.54 -0.66 0.00 -1.23 0.00 0.00 66.70 61.83 3i8e h VAL 338 Cb 1.27 2.43 -0.09 0.00 -2.13 0.00 0.00 31.29 32.77 3i8e h VAL 338 CO 0.56 0.75 -0.55 -1.81 -1.23 0.00 0.00 177.57 175.29 3i8e s ASP 339 N -6.98 5.85 0.37 4.19 1.01 -1.26 -5.01 116.67 114.85 3i8e s ASP 339 Ca -0.04 0.25 -0.25 0.00 0.71 0.00 0.00 52.55 53.22 3i8e s ASP 339 Cb 0.10 -1.75 -0.10 0.00 1.01 0.00 0.00 42.92 42.18 3i8e s ASP 339 CO 0.84 0.32 1.00 -0.44 0.21 0.00 0.00 175.17 177.10 3i8e s SER 340 N -1.45 6.99 0.00 0.27 0.01 -1.26 -4.60 113.70 113.66 3i8e s SER 340 Ca 0.20 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.39 3i8e s SER 340 Cb -0.12 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.53 3i8e s SER 340 CO 0.10 -0.32 0.00 -0.46 0.41 0.00 0.00 173.24 172.97 3i8e n ASN 341 N 0.12 0.00 -4.72 2.44 0.23 -1.18 -4.87 115.26 107.28 3i8e n ASN 341 Ca 0.04 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.67 3i8e n ASN 341 Cb 0.50 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.17 3i8e n ASN 341 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 3i8e s GLU 342 N 0.00 4.38 0.00 -3.83 1.03 -1.26 -3.06 118.70 115.96 3i8e s GLU 342 Ca 0.00 1.92 0.00 0.00 0.03 0.00 0.00 54.97 56.92 3i8e s GLU 342 Cb 0.00 -3.29 0.00 0.00 -0.80 0.00 0.00 34.13 30.04 3i8e s GLU 342 CO 0.00 -0.33 0.00 1.04 -1.33 0.00 0.00 175.26 174.64 3i8e n GLN 343 N 3.83 0.00 -0.26 -4.83 6.02 -1.26 -4.52 117.38 116.36 3i8e n GLN 343 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3i8e n GLN 343 Cb 0.44 -0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.70 3i8e n GLN 343 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i8e n GLY 344 N -0.23 0.89 3.47 1.08 0.00 -1.17 -5.08 105.19 104.15 3i8e n GLY 344 Ca 0.00 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3i8e n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8e s SER 345 N -1.92 5.32 0.00 1.61 0.15 -1.26 -4.78 113.70 112.82 3i8e s SER 345 Ca 0.00 -0.19 0.27 0.00 0.70 0.00 0.00 55.95 56.73 3i8e s SER 345 Cb 0.00 -1.96 0.83 0.00 -1.71 0.00 0.00 66.02 63.17 3i8e s SER 345 CO 0.00 -0.05 1.61 -1.22 1.20 0.00 0.00 173.24 174.79 3i8e n TYR 346 N 4.95 0.00 -3.41 3.44 4.02 0.09 -3.09 117.16 123.16 3i8e n TYR 346 Ca -0.16 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.36 3i8e n TYR 346 Cb 0.51 -0.17 -0.07 0.00 -0.02 0.00 0.00 39.34 39.59 3i8e n TYR 346 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i8e s VAL 347 N -2.59 5.22 -0.09 -0.72 1.01 -0.88 -1.65 120.40 120.69 3i8e s VAL 347 Ca 0.23 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.91 3i8e s VAL 347 Cb 0.19 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.87 3i8e s VAL 347 CO 0.54 0.27 -0.15 -0.69 0.00 0.00 0.00 175.10 175.07 3i8e s VAL 348 N 1.20 1.46 0.10 2.92 1.01 0.36 -4.85 120.40 122.60 3i8e s VAL 348 Ca 0.19 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 3i8e s VAL 348 Cb -0.15 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 3i8e s VAL 348 CO 0.07 0.43 1.31 0.00 0.00 0.00 0.00 175.10 176.91 3i8e s ALA 349 N 0.80 3.51 -0.23 5.51 0.00 -1.26 -0.24 121.76 129.85 3i8e s ALA 349 Ca -0.11 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.70 3i8e s ALA 349 Cb -0.16 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 3i8e s ALA 349 CO 0.02 -0.53 -0.34 -1.33 0.00 0.00 0.00 175.76 173.57 3i8e n MET 350 N 3.86 0.56 -3.87 0.00 2.81 -0.28 -4.89 117.12 115.31 3i8e n MET 350 Ca 0.10 0.25 -0.10 0.00 -1.81 0.00 0.00 57.70 56.14 3i8e n MET 350 Cb 0.44 -1.47 -0.09 0.00 -0.71 0.00 0.00 33.22 31.39 3i8e n MET 350 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i8e s GLU 351 N -2.69 0.66 -0.17 0.03 2.12 -1.13 -4.97 118.70 112.55 3i8e s GLU 351 Ca -0.33 -0.68 -0.01 0.00 0.36 0.00 0.00 54.97 54.31 3i8e s GLU 351 Cb 0.09 0.27 0.05 0.00 0.26 0.00 0.00 34.13 34.80 3i8e s GLU 351 CO 0.46 -0.18 -0.01 0.99 -0.54 0.00 0.00 175.26 175.97 3i8e s THR 352 N -2.61 0.87 -0.49 -1.70 2.01 -1.26 -0.15 115.64 112.31 3i8e s THR 352 Ca -0.05 -0.60 -0.19 0.00 0.31 0.00 0.00 61.69 61.16 3i8e s THR 352 Cb -0.01 -1.18 0.05 0.00 0.01 0.00 0.00 72.50 71.37 3i8e s THR 352 CO -0.04 -0.01 0.61 -0.36 -0.69 0.00 0.00 174.62 174.12 3i8e s PHE 353 N 1.72 3.06 -0.17 4.92 0.40 0.57 -4.98 117.98 123.50 3i8e s PHE 353 Ca -0.00 -0.47 -0.29 0.00 -0.60 0.00 0.00 56.93 55.56 3i8e s PHE 353 Cb -0.16 -3.45 -0.07 0.00 0.51 0.00 0.00 43.02 39.85 3i8e s PHE 353 CO -0.07 -0.98 2.16 0.25 0.70 0.00 0.00 175.22 177.27 3i8e n THR 354 N 5.63 0.43 -4.80 0.64 -2.24 -1.26 -3.23 114.28 109.44 3i8e n THR 354 Ca -0.06 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 61.03 3i8e n THR 354 Cb 0.46 -2.40 -0.14 0.00 -2.10 0.00 0.00 70.33 66.14 3i8e n THR 354 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3i8e s ASN 355 N 7.28 3.98 0.07 3.42 2.47 -1.26 -4.98 114.94 125.91 3i8e s ASN 355 Ca 0.99 -0.33 0.27 0.00 0.42 0.00 0.00 52.86 54.21 3i8e s ASN 355 Cb -0.42 -1.55 0.92 0.00 -1.45 0.00 0.00 41.25 38.75 3i8e s ASN 355 CO 0.39 0.18 1.75 0.18 -3.72 0.00 0.00 177.10 175.87 3i8e n LEU 356 N 3.44 0.37 0.00 3.21 4.77 -1.26 -4.52 117.00 123.01 3i8e n LEU 356 Ca -0.18 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3i8e n LEU 356 Cb 0.53 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3i8e n LEU 356 CO 0.30 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3i8e n GLY 357 N 1.43 0.80 3.57 -0.72 0.00 -1.26 -3.99 105.19 105.03 3i8e n GLY 357 Ca 0.06 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 3i8e n GLY 357 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i8e n PRO 358 N 0.00 1.84 -2.74 1.61 -0.02 -1.18 -3.06 135.00 131.45 3i8e n PRO 358 Ca 0.00 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 3i8e n PRO 358 Cb 0.00 -2.99 -0.04 0.00 -0.02 0.00 0.00 33.50 30.45 3i8e n PRO 358 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i8e s ILE 359 N 7.46 4.14 0.01 4.25 1.01 -1.08 -1.57 121.20 135.42 3i8e s ILE 359 Ca 1.01 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 61.58 3i8e s ILE 359 Cb -0.50 -4.72 -0.30 0.00 0.01 0.00 0.00 42.46 36.95 3i8e s ILE 359 CO 0.40 -1.49 1.01 0.58 0.00 0.00 0.00 174.94 175.45 3i8e h VAL 360 N 6.01 1.39 -3.42 2.92 2.07 -1.27 -3.43 116.25 120.51 3i8e h VAL 360 Ca -0.28 -2.46 -0.03 0.00 0.82 0.00 0.00 66.70 64.75 3i8e h VAL 360 Cb 1.06 2.92 -0.10 0.00 -1.52 0.00 0.00 31.29 33.66 3i8e h VAL 360 CO 1.19 0.72 -0.03 -0.62 0.02 0.00 0.00 177.57 178.86 3i8e s ASP 361 N -7.19 -0.18 0.18 0.57 3.68 -1.24 -4.71 116.67 107.78 3i8e s ASP 361 Ca -0.11 -0.65 -0.24 0.00 2.13 0.00 0.00 52.55 53.68 3i8e s ASP 361 Cb 0.03 0.58 0.05 0.00 -1.45 0.00 0.00 42.92 42.14 3i8e s ASP 361 CO 0.88 -1.09 0.90 0.00 0.13 0.00 0.00 175.17 176.00 3i8e s MET 362 N -3.92 1.34 0.19 4.34 0.23 -1.26 -0.24 119.30 119.97 3i8e s MET 362 Ca 0.14 -0.74 -0.20 0.00 -1.03 0.00 0.00 55.69 53.86 3i8e s MET 362 Cb -0.01 0.46 0.04 0.00 -1.53 0.00 0.00 34.83 33.79 3i8e s MET 362 CO 0.01 -0.61 0.57 0.00 -2.03 0.00 0.00 175.02 172.96 3i8e s VAL 364 N -3.83 4.43 -0.02 0.00 1.01 -1.26 -1.50 120.40 119.23 3i8e s VAL 364 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.92 3i8e s VAL 364 Cb -0.01 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.29 3i8e s VAL 364 CO -0.06 0.33 -0.04 -0.69 0.00 0.00 0.00 175.10 174.63 3i8e s VAL 365 N 1.63 0.42 -2.12 2.92 1.01 -0.68 -4.95 120.40 118.63 3i8e s VAL 365 Ca 0.06 -0.16 0.18 0.00 0.00 0.00 0.00 61.98 62.07 3i8e s VAL 365 Cb -0.15 -0.40 0.46 0.00 0.00 0.00 0.00 36.38 36.29 3i8e s VAL 365 CO 0.05 0.15 1.59 0.47 0.00 0.00 0.00 175.10 177.35 3i8e n ASP 366 N 3.38 0.77 0.00 3.32 9.92 -1.26 -0.55 116.55 132.13 3i8e n ASP 366 Ca -0.18 -1.59 0.00 0.00 -0.53 0.00 0.00 54.79 52.49 3i8e n ASP 366 Cb 0.55 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 3i8e n ASP 366 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3i8e n LEU 367 N -0.26 0.00 0.30 0.64 4.77 -1.26 0.13 117.00 121.32 3i8e n LEU 367 Ca 0.14 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.32 3i8e n LEU 367 Cb 0.18 0.00 1.05 0.00 -2.33 0.00 0.00 43.42 42.32 3i8e n LEU 367 CO 0.11 0.00 1.10 -0.33 -1.33 0.00 0.00 177.39 176.94 3i8e h GLU 368 N 0.00 0.00 -5.34 3.23 4.39 -1.89 -3.46 114.58 111.51 3i8e h GLU 368 Ca 0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 3i8e h GLU 368 Cb 0.00 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 28.81 3i8e h GLU 368 CO 0.00 0.00 -0.71 -2.13 -1.16 0.00 0.00 179.01 175.01 3i8e n ARG 369 N -2.89 -5.98 -0.01 2.33 0.63 0.34 -4.98 116.66 106.10 3i8e n ARG 369 Ca -0.02 0.78 -0.02 0.00 -0.92 0.00 0.00 57.85 57.67 3i8e n ARG 369 Cb 0.08 -5.59 -0.01 0.00 0.45 0.00 0.00 32.46 27.40 3i8e n ARG 369 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3i8e n GLN 370 N -3.85 0.10 0.00 -0.14 6.02 -1.26 -5.04 117.38 113.22 3i8e n GLN 370 Ca -0.26 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 3i8e n GLN 370 Cb 0.65 -0.55 0.00 0.00 1.02 0.00 0.00 30.24 31.36 3i8e n GLN 370 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i8e n GLY 371 N 2.24 0.24 3.72 1.08 0.00 -1.25 -5.02 105.19 106.20 3i8e n GLY 371 Ca -0.03 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3i8e n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i8e s GLN 372 N 0.00 4.38 -0.13 1.61 1.03 -1.23 -4.32 119.66 121.00 3i8e s GLN 372 Ca 0.00 1.94 -0.20 0.00 0.04 0.00 0.00 55.36 57.14 3i8e s GLN 372 Cb 0.00 -3.28 -0.04 0.00 0.03 0.00 0.00 33.01 29.73 3i8e s GLN 372 CO 0.00 -0.32 0.56 0.20 -2.54 0.00 0.00 175.29 173.19 3i8e s GLY 373 N 0.92 2.35 0.46 2.60 0.00 -1.25 -4.48 107.32 107.92 3i8e s GLY 373 Ca 0.60 -0.16 -0.12 0.00 0.00 0.00 0.00 44.72 45.05 3i8e s GLY 373 CO 0.31 0.99 0.86 1.20 0.00 0.00 0.00 173.10 176.46 3i8e s GLN 374 N 1.01 3.79 -0.18 2.90 -1.52 0.28 -4.52 119.66 121.41 3i8e s GLN 374 Ca 0.29 0.61 -0.05 0.00 -1.95 0.00 0.00 55.36 54.26 3i8e s GLN 374 Cb -0.16 -2.29 -0.03 0.00 -0.22 0.00 0.00 33.01 30.32 3i8e s GLN 374 CO 0.12 -0.17 -0.01 -1.17 -0.25 0.00 0.00 175.29 173.81 3i8e s LEU 375 N -4.13 3.31 -0.42 2.90 2.96 0.03 -1.68 118.68 121.65 3i8e s LEU 375 Ca 0.53 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 54.24 3i8e s LEU 375 Cb -0.10 -1.82 0.11 0.00 0.50 0.00 0.00 46.19 44.87 3i8e s LEU 375 CO 0.35 0.11 0.23 -0.69 -1.32 0.00 0.00 176.35 175.03 3i8e s VAL 376 N 0.72 3.59 0.03 1.68 1.01 -0.56 0.37 120.40 127.24 3i8e s VAL 376 Ca -0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.03 3i8e s VAL 376 Cb -0.14 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3i8e s VAL 376 CO 0.02 -0.67 0.27 0.42 0.00 0.00 0.00 175.10 175.14 3i8e s THR 377 N 1.23 5.31 -0.58 3.92 -4.23 0.25 -1.97 115.64 119.57 3i8e s THR 377 Ca 0.06 0.07 -0.23 0.00 -1.18 0.00 0.00 61.69 60.41 3i8e s THR 377 Cb -0.24 -3.58 0.05 0.00 1.34 0.00 0.00 72.50 70.08 3i8e s THR 377 CO -0.03 0.30 0.89 0.00 -0.54 0.00 0.00 174.62 175.25 3i8e s SER 379 N 3.10 4.66 0.51 0.00 0.01 -0.48 -0.77 113.70 120.74 3i8e s SER 379 Ca 0.25 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.92 3i8e s SER 379 Cb -0.15 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.17 3i8e s SER 379 CO 0.15 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.41 3i8e n GLY 380 N -0.86 -3.08 3.55 3.44 0.00 -0.61 -1.86 105.19 105.76 3i8e n GLY 380 Ca -0.07 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 3i8e n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8e s ALA 381 N -3.83 2.94 0.00 4.61 0.00 -0.62 -4.50 121.76 120.37 3i8e s ALA 381 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 49.83 3i8e s ALA 381 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3i8e s ALA 381 CO 0.00 0.01 0.00 1.19 0.00 0.00 0.00 175.76 176.96 3i8e n PHE 382 N -0.81 0.00 0.30 0.00 3.01 -1.26 -1.04 117.46 117.65 3i8e n PHE 382 Ca -0.05 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.58 3i8e n PHE 382 Cb 0.64 0.00 0.80 0.00 -0.01 0.00 0.00 39.48 40.92 3i8e n PHE 382 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3i8e h LYS 383 N 0.00 0.00 -0.64 -1.08 2.10 -1.87 -0.31 116.57 114.77 3i8e h LYS 383 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i8e h LYS 383 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i8e h LYS 383 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 3i8e n GLU 384 N -2.76 3.63 -2.06 0.07 -0.58 -0.20 -3.97 120.64 114.77 3i8e n GLU 384 Ca -0.01 -2.52 -0.37 0.00 -0.42 0.00 0.00 57.16 53.84 3i8e n GLU 384 Cb 0.16 -1.91 0.01 0.00 -0.57 0.00 0.00 31.44 29.14 3i8e n GLU 384 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i8e s GLY 385 N -0.78 2.80 0.15 0.62 0.00 -0.16 -4.25 107.32 105.70 3i8e s GLY 385 Ca 0.45 1.08 -0.25 0.00 0.00 0.00 0.00 44.72 46.00 3i8e s GLY 385 CO 0.19 1.54 0.85 -1.35 0.00 0.00 0.00 173.10 174.34 3i8e s SER 386 N -1.27 -0.28 0.36 1.64 1.04 -0.78 -0.63 113.70 113.79 3i8e s SER 386 Ca 0.69 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 3i8e s SER 386 Cb -0.33 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 3i8e s SER 386 CO 0.39 -0.95 0.64 -0.76 0.98 0.00 0.00 173.24 173.54 3i8e s LEU 387 N -2.82 3.91 -0.01 2.42 1.43 -1.01 -1.38 118.68 121.23 3i8e s LEU 387 Ca 0.09 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 3i8e s LEU 387 Cb -0.02 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.57 3i8e s LEU 387 CO -0.01 -0.34 -0.08 -0.13 0.23 0.00 0.00 176.35 176.02 3i8e s ARG 388 N -4.06 0.71 -0.16 1.70 1.81 -0.60 -1.78 118.95 116.56 3i8e s ARG 388 Ca 0.45 -0.28 -0.03 0.00 -1.72 0.00 0.00 55.73 54.14 3i8e s ARG 388 Cb -0.10 -0.69 -0.02 0.00 -0.45 0.00 0.00 34.95 33.69 3i8e s ARG 388 CO 0.35 0.16 -0.05 0.42 -0.68 0.00 0.00 175.30 175.49 3i8e s ILE 389 N -0.09 3.64 -0.11 1.52 1.09 -1.25 -0.59 121.20 125.42 3i8e s ILE 389 Ca 0.02 -0.44 -0.01 0.00 -1.10 0.00 0.00 60.65 59.12 3i8e s ILE 389 Cb -0.04 -2.60 -0.02 0.00 -1.06 0.00 0.00 42.46 38.73 3i8e s ILE 389 CO -0.00 0.48 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.61 3i8e s ILE 390 N 0.60 3.53 -0.14 2.92 1.01 0.16 -0.08 121.20 129.20 3i8e s ILE 390 Ca -0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 3i8e s ILE 390 Cb -0.15 -2.48 0.05 0.00 0.01 0.00 0.00 42.46 39.89 3i8e s ILE 390 CO 0.03 0.54 0.02 -0.60 0.00 0.00 0.00 174.94 174.94 3i8e s ARG 391 N -0.12 0.59 0.10 2.79 3.00 0.13 -0.79 118.95 124.64 3i8e s ARG 391 Ca 0.01 -0.16 -0.31 0.00 -1.00 0.00 0.00 55.73 54.27 3i8e s ARG 391 Cb -0.13 -1.59 -0.07 0.00 0.00 0.00 0.00 34.95 33.16 3i8e s ARG 391 CO 0.03 -0.49 1.23 1.21 0.00 0.00 0.00 175.30 177.28 3i8e s ASN 392 N 1.93 7.04 0.00 -2.12 3.84 -1.26 -0.69 114.94 123.68 3i8e s ASN 392 Ca 0.02 2.11 0.00 0.00 0.21 0.00 0.00 52.86 55.20 3i8e s ASN 392 Cb -0.15 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 3i8e s ASN 392 CO -0.07 -0.48 0.00 0.61 -2.79 0.00 0.00 177.10 174.37 3i8e n GLY 393 N 3.06 0.17 3.37 1.21 0.00 0.34 -4.92 105.19 108.41 3i8e n GLY 393 Ca 0.08 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 3i8e n GLY 393 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8e s ILE 394 N -1.45 3.61 0.62 -0.61 1.01 -1.04 -4.57 121.20 118.77 3i8e s ILE 394 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3i8e s ILE 394 Cb 0.00 -2.64 0.08 0.00 0.01 0.00 0.00 42.46 39.91 3i8e s ILE 394 CO 0.00 0.42 0.87 -0.83 0.00 0.00 0.00 174.94 175.40 3i8e s GLY 395 N 1.26 1.79 0.14 6.18 0.00 -1.26 -0.10 107.32 115.33 3i8e s GLY 395 Ca 0.03 -1.57 0.11 0.00 0.00 0.00 0.00 44.72 43.29 3i8e s GLY 395 CO -0.00 -1.15 -0.26 -0.26 0.00 0.00 0.00 173.10 171.43 3i8e s ILE 396 N -2.91 2.21 -0.70 0.90 -5.25 -1.26 -3.06 121.20 111.12 3i8e s ILE 396 Ca 0.61 -1.78 -0.08 0.00 -0.99 0.00 0.00 60.65 58.41 3i8e s ILE 396 Cb -0.08 -1.97 0.18 0.00 2.95 0.00 0.00 42.46 43.55 3i8e s ILE 396 CO 0.41 0.03 0.57 -1.00 -1.79 0.00 0.00 174.94 173.16 3i8e s HIS 397 N -1.19 3.55 0.49 1.37 3.76 0.53 -4.95 115.29 118.85 3i8e s HIS 397 Ca 0.14 -2.37 -0.19 0.00 -0.15 0.00 0.00 55.06 52.48 3i8e s HIS 397 Cb -0.10 -3.47 -0.08 0.00 1.11 0.00 0.00 32.58 30.04 3i8e s HIS 397 CO 0.06 -0.91 1.02 -1.83 -0.85 0.00 0.00 174.74 172.24 3i8e s GLU 398 N 0.10 3.81 0.05 1.40 -1.05 -1.26 -1.87 118.70 119.87 3i8e s GLU 398 Ca 0.17 1.27 -0.01 0.00 -0.15 0.00 0.00 54.97 56.25 3i8e s GLU 398 Cb -0.16 -2.10 -0.00 0.00 -0.44 0.00 0.00 34.13 31.42 3i8e s GLU 398 CO -0.05 -0.41 -0.01 0.72 0.95 0.00 0.00 175.26 176.45 3i8e n HIS 399 N -1.11 0.00 -4.27 4.83 8.25 -0.51 -4.95 115.22 117.47 3i8e n HIS 399 Ca 0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.37 3i8e n HIS 399 Cb 0.53 -0.03 -0.14 0.00 1.12 0.00 0.00 29.99 31.47 3i8e n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i8e s ALA 400 N -2.03 0.66 -0.24 -1.41 0.00 -1.26 -5.06 121.76 112.42 3i8e s ALA 400 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 3i8e s ALA 400 Cb 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.06 3i8e s ALA 400 CO 0.02 0.14 0.06 0.45 0.00 0.00 0.00 175.76 176.43 3i8e s SER 401 N -0.39 3.35 -0.07 0.00 0.15 -1.26 -3.84 113.70 111.64 3i8e s SER 401 Ca 0.01 -1.13 -0.03 0.00 0.70 0.00 0.00 55.95 55.51 3i8e s SER 401 Cb -0.04 -0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 63.55 3i8e s SER 401 CO -0.00 -0.35 0.06 -0.63 1.20 0.00 0.00 173.24 173.52 3i8e s ILE 402 N 1.78 4.76 -0.62 6.45 1.09 -1.11 -4.94 121.20 128.61 3i8e s ILE 402 Ca 0.03 -0.17 -0.22 0.00 -1.10 0.00 0.00 60.65 59.19 3i8e s ILE 402 Cb -0.17 -3.07 0.06 0.00 -1.06 0.00 0.00 42.46 38.22 3i8e s ILE 402 CO -0.16 0.54 0.91 -1.81 -0.10 0.00 0.00 174.94 174.33 3i8e s ASP 403 N -1.16 6.22 -0.57 3.58 1.01 -1.26 -0.00 116.67 124.48 3i8e s ASP 403 Ca 0.16 -0.86 0.04 0.00 0.71 0.00 0.00 52.55 52.61 3i8e s ASP 403 Cb -0.12 -2.40 0.15 0.00 1.01 0.00 0.00 42.92 41.56 3i8e s ASP 403 CO 0.06 -1.32 0.35 -0.76 0.21 0.00 0.00 175.17 173.71 3i8e s LEU 404 N 3.83 4.13 -0.56 1.23 1.43 -1.25 -4.84 118.68 122.65 3i8e s LEU 404 Ca 0.23 -3.28 -0.26 0.00 -1.03 0.00 0.00 54.13 49.79 3i8e s LEU 404 Cb -0.16 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 3i8e s LEU 404 CO 0.12 -0.18 2.15 -2.84 0.23 0.00 0.00 176.35 175.83 3i8e s PRO 405 N -0.62 2.34 0.00 1.29 0.02 -1.26 -3.60 135.00 133.16 3i8e s PRO 405 Ca 0.21 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.22 3i8e s PRO 405 Cb -0.16 -4.50 0.00 0.00 0.02 0.00 0.00 34.50 29.86 3i8e s PRO 405 CO -0.07 -3.05 0.00 0.41 -0.33 0.00 0.00 177.00 173.96 3i8e n GLY 406 N 5.88 1.01 3.72 0.52 0.00 -1.23 -5.01 105.19 110.09 3i8e n GLY 406 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 3i8e n GLY 406 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8e s ILE 407 N -1.01 3.17 -0.10 -0.61 1.01 -1.24 -3.89 121.20 118.52 3i8e s ILE 407 Ca 0.00 0.88 0.16 0.00 0.00 0.00 0.00 60.65 61.69 3i8e s ILE 407 Cb 0.00 -3.56 0.34 0.00 0.01 0.00 0.00 42.46 39.25 3i8e s ILE 407 CO 0.00 0.09 1.16 0.29 0.00 0.00 0.00 174.94 176.48 3i8e n LYS 408 N 3.41 0.78 0.00 2.79 4.76 -1.23 -4.91 118.16 123.76 3i8e n LYS 408 Ca 0.10 -2.42 0.00 0.00 -2.87 0.00 0.00 58.31 53.11 3i8e n LYS 408 Cb 0.42 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 3i8e n LYS 408 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8e n GLY 409 N -0.47 4.15 3.54 0.72 0.00 -1.26 -4.69 105.19 107.19 3i8e n GLY 409 Ca 0.11 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 3i8e n GLY 409 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i8e s LEU 410 N 0.00 -0.50 -0.00 0.99 0.05 -1.26 -1.64 118.68 116.32 3i8e s LEU 410 Ca 0.00 1.30 0.01 0.00 0.05 0.00 0.00 54.13 55.48 3i8e s LEU 410 Cb 0.00 2.17 -0.00 0.00 -2.05 0.00 0.00 46.19 46.31 3i8e s LEU 410 CO 0.00 -0.22 -0.02 0.26 -0.55 0.00 0.00 176.35 175.82 3i8e s TRP 411 N 0.60 0.15 0.18 3.48 0.51 -1.25 -4.73 118.94 117.88 3i8e s TRP 411 Ca -0.02 -0.03 -0.31 0.00 -2.12 0.00 0.00 56.10 53.62 3i8e s TRP 411 Cb -0.05 -0.10 -0.09 0.00 -0.81 0.00 0.00 33.47 32.42 3i8e s TRP 411 CO -0.03 -0.00 1.46 -2.14 -0.51 0.00 0.00 176.95 175.72 3i8e s PRO 412 N -0.04 4.28 -0.01 4.98 0.02 -1.26 -4.30 135.00 138.66 3i8e s PRO 412 Ca 0.01 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.25 3i8e s PRO 412 Cb -0.01 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.35 3i8e s PRO 412 CO -0.00 -0.47 0.04 -1.17 -0.33 0.00 0.00 177.00 175.07 3i8e s LEU 413 N 0.54 1.78 -0.11 -5.54 2.96 -1.12 -4.47 118.68 112.73 3i8e s LEU 413 Ca 0.64 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 3i8e s LEU 413 Cb -0.41 0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.38 3i8e s LEU 413 CO 0.35 -0.02 -0.18 0.00 -1.32 0.00 0.00 176.35 175.18 3i8e s ARG 414 N 0.13 3.12 -0.43 1.98 1.70 -1.26 -0.62 118.95 123.57 3i8e s ARG 414 Ca -0.01 -0.77 0.02 0.00 -0.47 0.00 0.00 55.73 54.51 3i8e s ARG 414 Cb -0.01 -2.46 0.52 0.00 -0.57 0.00 0.00 34.95 32.43 3i8e s ARG 414 CO -0.00 0.26 1.84 0.45 -1.08 0.00 0.00 175.30 176.76 3i8e n SER 415 N 3.36 4.51 -3.65 -2.89 2.88 -1.26 -4.81 113.62 111.76 3i8e n SER 415 Ca -0.18 -3.42 -0.03 0.00 -1.33 0.00 0.00 58.87 53.91 3i8e n SER 415 Cb 0.53 -0.84 -0.05 0.00 -0.75 0.00 0.00 64.21 63.09 3i8e n SER 415 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i8e s ASP 416 N -1.02 -0.93 0.00 -3.46 3.68 -1.26 -5.01 116.67 108.67 3i8e s ASP 416 Ca 0.50 1.43 0.10 0.00 2.13 0.00 0.00 52.55 56.71 3i8e s ASP 416 Cb 0.41 2.07 0.47 0.00 -1.45 0.00 0.00 42.92 44.42 3i8e s ASP 416 CO 0.07 -0.22 1.27 -2.65 0.13 0.00 0.00 175.17 173.77 3i8e n PRO 417 N 5.44 0.07 0.00 4.34 -0.02 -1.26 -3.84 135.00 139.72 3i8e n PRO 417 Ca -0.11 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3i8e n PRO 417 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3i8e n PRO 417 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i8e n ASN 418 N -1.40 0.00 -4.76 2.55 3.02 -1.26 -4.94 115.26 108.47 3i8e n ASN 418 Ca 0.04 0.54 -0.39 0.00 -0.03 0.00 0.00 54.58 54.74 3i8e n ASN 418 Cb 0.10 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 38.76 3i8e n ASN 418 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i8e s ARG 419 N -1.25 4.76 0.11 3.52 1.70 -1.25 -4.95 118.95 121.60 3i8e s ARG 419 Ca 0.00 1.46 0.26 0.00 -0.47 0.00 0.00 55.73 56.98 3i8e s ARG 419 Cb 0.00 -3.13 0.72 0.00 -0.57 0.00 0.00 34.95 31.96 3i8e s ARG 419 CO 0.00 0.43 1.62 0.39 -1.08 0.00 0.00 175.30 176.66 3i8e n GLU 420 N 1.19 0.19 -2.28 3.89 1.02 -1.26 -4.59 120.64 118.80 3i8e n GLU 420 Ca -0.01 0.11 -0.37 0.00 -0.02 0.00 0.00 57.16 56.87 3i8e n GLU 420 Cb 0.48 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3i8e n GLU 420 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i8e s THR 421 N -3.09 3.58 0.89 2.62 -4.23 -1.26 -4.72 115.64 109.44 3i8e s THR 421 Ca 0.10 -0.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.43 3i8e s THR 421 Cb 0.15 -4.44 -0.02 0.00 1.34 0.00 0.00 72.50 69.53 3i8e s THR 421 CO 0.63 -1.38 0.22 -1.22 -0.54 0.00 0.00 174.62 172.33 3i8e n TYR 422 N 11.33 -1.98 -0.02 3.99 4.02 -1.25 -4.59 117.16 128.66 3i8e n TYR 422 Ca 0.22 0.22 -0.03 0.00 -0.01 0.00 0.00 57.90 58.30 3i8e n TYR 422 Cb 0.50 -1.75 -0.01 0.00 -0.02 0.00 0.00 39.34 38.06 3i8e n TYR 422 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3i8e n ASP 423 N -0.15 1.10 -4.90 7.72 2.03 0.20 -4.26 116.55 118.29 3i8e n ASP 423 Ca 0.06 0.17 -0.30 0.00 0.52 0.00 0.00 54.79 55.24 3i8e n ASP 423 Cb 0.53 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 40.43 3i8e n ASP 423 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3i8e s THR 424 N -2.05 5.20 -0.30 5.18 2.01 -0.51 -3.73 115.64 121.45 3i8e s THR 424 Ca -0.11 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.38 3i8e s THR 424 Cb 0.01 -3.57 0.08 0.00 0.01 0.00 0.00 72.50 69.04 3i8e s THR 424 CO 0.16 0.07 0.00 -0.22 -0.69 0.00 0.00 174.62 173.94 3i8e s LEU 425 N -2.69 3.96 -0.24 4.42 2.96 -0.95 -2.79 118.68 123.35 3i8e s LEU 425 Ca 0.34 -1.81 -0.19 0.00 -0.22 0.00 0.00 54.13 52.25 3i8e s LEU 425 Cb -0.12 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3i8e s LEU 425 CO 0.27 -0.32 0.57 -0.69 -1.32 0.00 0.00 176.35 174.86 3i8e s VAL 426 N 1.07 5.04 0.40 1.68 1.01 -1.26 -2.96 120.40 125.38 3i8e s VAL 426 Ca 0.04 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.05 3i8e s VAL 426 Cb -0.19 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.34 3i8e s VAL 426 CO -0.08 0.08 0.23 0.00 0.00 0.00 0.00 175.10 175.33 3i8e n LEU 427 N 5.43 0.00 0.00 3.92 -0.00 -1.16 -3.84 117.00 121.35 3i8e n LEU 427 Ca -0.03 -2.19 -0.24 0.00 -0.00 0.00 0.00 56.01 53.55 3i8e n LEU 427 Cb 0.50 0.04 0.03 0.00 -0.00 0.00 0.00 43.42 43.98 3i8e n LEU 427 CO 0.42 -0.46 0.18 -0.24 -0.00 0.00 0.00 177.39 177.28 3i8e n SER 428 N -1.73 2.57 -3.60 1.45 2.88 -0.65 -4.01 113.62 110.53 3i8e n SER 428 Ca -0.05 -2.80 -0.04 0.00 -1.33 0.00 0.00 58.87 54.65 3i8e n SER 428 Cb 0.47 -0.18 -0.02 0.00 -0.75 0.00 0.00 64.21 63.73 3i8e n SER 428 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3i8e s PHE 429 N -2.75 -0.17 -0.84 0.66 2.19 -1.20 -3.56 117.98 112.31 3i8e s PHE 429 Ca 0.43 0.05 -0.25 0.00 0.33 0.00 0.00 56.93 57.48 3i8e s PHE 429 Cb -0.03 0.55 -0.07 0.00 -1.31 0.00 0.00 43.02 42.16 3i8e s PHE 429 CO 0.27 -0.41 2.05 0.08 1.83 0.00 0.00 175.22 179.04 3i8e s VAL 430 N -2.75 3.33 -0.44 3.12 1.01 -1.25 -3.20 120.40 120.21 3i8e s VAL 430 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3i8e s VAL 430 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3i8e s VAL 430 CO -0.05 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 174.95 3i8e n GLY 431 N 6.71 0.67 3.41 4.51 0.00 -1.26 -5.00 105.19 114.24 3i8e n GLY 431 Ca 0.40 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3i8e n GLY 431 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8e s GLN 432 N -1.77 1.84 -0.19 1.61 -0.21 -1.19 -3.46 119.66 116.28 3i8e s GLN 432 Ca 0.00 -2.10 -0.04 0.00 0.02 0.00 0.00 55.36 53.24 3i8e s GLN 432 Cb 0.00 -0.18 0.10 0.00 1.00 0.00 0.00 33.01 33.92 3i8e s GLN 432 CO 0.00 -0.55 0.29 0.99 -2.12 0.00 0.00 175.29 173.90 3i8e s THR 433 N -3.34 -0.46 -0.22 -0.19 2.01 -1.22 -3.22 115.64 109.01 3i8e s THR 433 Ca 0.31 0.04 -0.14 0.00 0.31 0.00 0.00 61.69 62.21 3i8e s THR 433 Cb 0.02 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 3i8e s THR 433 CO 0.20 -0.06 0.32 -0.13 -0.69 0.00 0.00 174.62 174.26 3i8e s ARG 434 N 2.44 4.14 0.08 4.92 1.81 -1.26 -4.48 118.95 126.59 3i8e s ARG 434 Ca 0.06 0.05 -0.21 0.00 -1.72 0.00 0.00 55.73 53.91 3i8e s ARG 434 Cb -0.14 -3.54 -0.07 0.00 -0.45 0.00 0.00 34.95 30.75 3i8e s ARG 434 CO -0.12 -0.02 0.62 0.08 -0.68 0.00 0.00 175.30 175.18 3i8e s VAL 435 N 1.26 4.70 -0.47 3.52 1.01 -1.26 -3.01 120.40 126.15 3i8e s VAL 435 Ca 0.15 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.49 3i8e s VAL 435 Cb -0.14 -3.96 0.14 0.00 0.00 0.00 0.00 36.38 32.42 3i8e s VAL 435 CO 0.07 0.52 0.28 -0.76 0.00 0.00 0.00 175.10 175.21 3i8e s LEU 436 N -0.93 2.81 0.57 3.92 1.43 -1.16 -3.75 118.68 121.58 3i8e s LEU 436 Ca 0.31 -2.82 -0.19 0.00 -1.03 0.00 0.00 54.13 50.39 3i8e s LEU 436 Cb -0.20 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 3i8e s LEU 436 CO 0.20 -0.23 1.19 -0.04 0.23 0.00 0.00 176.35 177.70 3i8e s MET 437 N 0.10 3.14 -0.07 1.70 -1.94 -0.82 -2.24 119.30 119.18 3i8e s MET 437 Ca 0.20 1.78 0.06 0.00 -1.71 0.00 0.00 55.69 56.02 3i8e s MET 437 Cb -0.19 -2.00 -0.01 0.00 2.01 0.00 0.00 34.83 34.65 3i8e s MET 437 CO -0.04 -1.06 -0.24 -0.51 -0.01 0.00 0.00 175.02 173.16 3i8e s LEU 438 N -3.90 2.07 -0.36 -0.03 1.43 -1.24 -3.37 118.68 113.27 3i8e s LEU 438 Ca 0.75 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3i8e s LEU 438 Cb -0.29 -1.37 0.36 0.00 0.03 0.00 0.00 46.19 44.93 3i8e s LEU 438 CO 0.32 0.22 1.81 -3.20 0.23 0.00 0.00 176.35 175.73 3i8e n ASN 439 N 3.10 5.19 0.00 2.29 5.15 -1.26 -4.94 115.26 124.80 3i8e n ASN 439 Ca -0.18 -3.18 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 3i8e n ASN 439 Cb 0.52 -0.88 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 3i8e n ASN 439 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i8e n GLY 440 N -0.33 1.94 0.00 8.20 0.00 -1.26 -4.37 105.19 109.37 3i8e n GLY 440 Ca 0.40 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.88 3i8e n GLY 440 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8e n GLU 441 N 0.00 4.61 -2.25 1.61 1.02 -1.26 -3.51 120.64 120.86 3i8e n GLU 441 Ca 0.00 -0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 3i8e n GLU 441 Cb 0.00 -0.84 0.06 0.00 -0.02 0.00 0.00 31.44 30.64 3i8e n GLU 441 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3i8e s GLU 442 N -1.67 2.42 -0.26 3.49 2.02 -1.26 -5.09 118.70 118.34 3i8e s GLU 442 Ca 0.03 -0.18 -0.03 0.00 0.02 0.00 0.00 54.97 54.80 3i8e s GLU 442 Cb 0.05 -2.20 0.02 0.00 0.10 0.00 0.00 34.13 32.10 3i8e s GLU 442 CO 0.29 -1.08 -0.01 0.08 0.02 0.00 0.00 175.26 174.56 3i8e s VAL 443 N -3.17 3.23 -0.02 2.63 1.01 -1.26 -4.42 120.40 118.39 3i8e s VAL 443 Ca 0.58 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 3i8e s VAL 443 Cb -0.11 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.65 3i8e s VAL 443 CO 0.45 0.16 0.03 -0.70 0.00 0.00 0.00 175.10 175.04 3i8e s GLU 444 N 1.38 -0.01 -0.12 2.72 2.12 -1.22 -5.07 118.70 118.50 3i8e s GLU 444 Ca 0.01 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.54 3i8e s GLU 444 Cb -0.17 -0.30 0.02 0.00 0.26 0.00 0.00 34.13 33.94 3i8e s GLU 444 CO -0.02 -0.18 -0.13 -1.83 -0.54 0.00 0.00 175.26 172.55 3i8e s GLU 445 N 1.18 2.09 0.00 4.30 4.04 -1.26 -1.95 118.70 127.10 3i8e s GLU 445 Ca -0.08 -0.49 0.00 0.00 0.04 0.00 0.00 54.97 54.44 3i8e s GLU 445 Cb -0.13 -1.88 0.00 0.00 0.02 0.00 0.00 34.13 32.14 3i8e s GLU 445 CO -0.03 -0.16 0.00 0.25 -1.84 0.00 0.00 175.26 173.48 3i8e n THR 446 N 4.52 0.00 -3.82 1.83 -2.24 -1.25 -5.04 114.28 108.29 3i8e n THR 446 Ca -0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 3i8e n THR 446 Cb 0.51 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 3i8e n THR 446 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i8e s GLU 447 N 4.02 0.83 -0.13 -0.78 -1.05 -1.26 -4.23 118.70 116.11 3i8e s GLU 447 Ca 0.00 -0.80 -0.04 0.00 -0.15 0.00 0.00 54.97 53.97 3i8e s GLU 447 Cb 0.00 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 3i8e s GLU 447 CO 0.00 -0.27 0.03 -0.51 0.95 0.00 0.00 175.26 175.46 3i8e s LEU 448 N -2.59 3.72 -1.06 1.83 1.02 -1.26 -5.02 118.68 115.31 3i8e s LEU 448 Ca 0.01 0.14 -0.26 0.00 0.02 0.00 0.00 54.13 54.04 3i8e s LEU 448 Cb 0.03 -1.89 -0.19 0.00 0.02 0.00 0.00 46.19 44.16 3i8e s LEU 448 CO -0.09 0.30 2.12 -0.04 0.02 0.00 0.00 176.35 178.66 3i8e s MET 449 N -0.39 1.49 0.00 1.70 -1.94 -1.26 -1.21 119.30 117.69 3i8e s MET 449 Ca 0.08 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 3i8e s MET 449 Cb -0.12 -5.00 0.00 0.00 2.01 0.00 0.00 34.83 31.72 3i8e s MET 449 CO 0.02 -5.06 0.00 0.41 -0.01 0.00 0.00 175.02 170.38 3i8e n GLY 450 N 6.20 -0.40 3.01 -0.03 0.00 -1.26 -2.61 105.19 110.09 3i8e n GLY 450 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 3i8e n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i8e s PHE 451 N 0.00 2.03 0.25 1.61 0.40 -0.35 -4.62 117.98 117.31 3i8e s PHE 451 Ca 0.00 -1.10 -0.30 0.00 -0.60 0.00 0.00 56.93 54.94 3i8e s PHE 451 Cb 0.00 -1.51 -0.09 0.00 0.51 0.00 0.00 43.02 41.93 3i8e s PHE 451 CO 0.00 -0.62 1.18 0.14 0.70 0.00 0.00 175.22 176.62 3i8e s VAL 452 N 1.44 3.37 -0.51 -0.44 -7.23 -1.26 -4.76 120.40 111.00 3i8e s VAL 452 Ca 0.03 1.28 0.14 0.00 -1.81 0.00 0.00 61.98 61.62 3i8e s VAL 452 Cb -0.13 -3.81 0.44 0.00 0.56 0.00 0.00 36.38 33.44 3i8e s VAL 452 CO -0.09 0.27 1.36 -0.90 -0.31 0.00 0.00 175.10 175.43 3i8e n ASP 453 N 1.64 3.53 -1.09 4.85 5.68 -1.26 -4.50 116.55 125.40 3i8e n ASP 453 Ca 0.01 -2.58 0.02 0.00 -0.50 0.00 0.00 54.79 51.74 3i8e n ASP 453 Cb 0.44 -0.42 0.01 0.00 -1.14 0.00 0.00 41.12 40.01 3i8e n ASP 453 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3i8e n ASP 454 N -0.03 0.54 -3.91 -1.12 5.68 -1.26 -3.40 116.55 113.05 3i8e n ASP 454 Ca 0.17 -1.98 -0.19 0.00 -0.50 0.00 0.00 54.79 52.30 3i8e n ASP 454 Cb 0.70 -0.24 -0.16 0.00 -1.14 0.00 0.00 41.12 40.29 3i8e n ASP 454 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3i8e s GLN 455 N 0.00 0.67 -0.57 0.11 -1.52 -1.23 -4.49 119.66 112.63 3i8e s GLN 455 Ca 0.19 -0.11 -0.26 0.00 -1.95 0.00 0.00 55.36 53.23 3i8e s GLN 455 Cb 0.22 -0.69 -0.05 0.00 -0.22 0.00 0.00 33.01 32.28 3i8e s GLN 455 CO -0.10 -0.03 2.12 -1.14 -0.25 0.00 0.00 175.29 175.89 3i8e s GLN 456 N 0.62 2.36 0.09 2.91 0.74 -1.24 -3.82 119.66 121.32 3i8e s GLN 456 Ca -0.08 0.93 -0.31 0.00 0.05 0.00 0.00 55.36 55.95 3i8e s GLN 456 Cb -0.11 -4.50 -0.08 0.00 1.10 0.00 0.00 33.01 29.41 3i8e s GLN 456 CO -0.00 -3.04 1.51 0.99 -0.55 0.00 0.00 175.29 174.20 3i8e s THR 457 N 10.63 3.15 -0.17 -0.34 2.01 -1.26 -3.72 115.64 125.94 3i8e s THR 457 Ca 0.81 0.73 0.19 0.00 0.31 0.00 0.00 61.69 63.73 3i8e s THR 457 Cb -0.14 -3.47 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 3i8e s THR 457 CO 0.22 0.03 0.97 -0.26 -0.69 0.00 0.00 174.62 174.89 3i8e h PHE 458 N 7.42 0.00 -3.24 4.92 0.04 0.07 -3.44 116.94 122.72 3i8e h PHE 458 Ca -0.42 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.29 3i8e h PHE 458 Cb 1.20 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.21 3i8e h PHE 458 CO 0.71 0.35 -0.09 0.12 -0.60 0.00 0.00 178.31 178.80 3i8e s PHE 459 N -3.09 -0.23 0.00 -0.55 5.36 -0.98 -4.97 117.98 113.52 3i8e s PHE 459 Ca -0.01 0.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 3i8e s PHE 459 Cb 0.09 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 3i8e s PHE 459 CO 0.79 -0.65 0.00 0.00 -1.46 0.00 0.00 175.22 173.91 3i8e n GLY 461 N 0.00 -2.84 3.57 0.00 0.00 -1.26 -4.46 105.19 100.19 3i8e n GLY 461 Ca 0.00 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3i8e n GLY 461 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i8e s ASN 462 N -1.05 5.46 -0.18 1.61 0.02 -1.26 -4.54 114.94 115.00 3i8e s ASN 462 Ca 0.59 0.78 -0.11 0.00 -1.02 0.00 0.00 52.86 53.10 3i8e s ASN 462 Cb -0.47 -2.53 -0.05 0.00 0.02 0.00 0.00 41.25 38.22 3i8e s ASN 462 CO 0.64 -2.14 0.18 0.68 0.02 0.00 0.00 177.10 176.47 3i8e s VAL 463 N 8.42 5.38 0.25 1.60 -7.23 -1.26 -4.38 120.40 123.18 3i8e s VAL 463 Ca 0.74 0.29 -0.04 0.00 -1.81 0.00 0.00 61.98 61.16 3i8e s VAL 463 Cb -0.17 -3.51 0.06 0.00 0.56 0.00 0.00 36.38 33.32 3i8e s VAL 463 CO 0.26 0.44 0.22 0.00 -0.31 0.00 0.00 175.10 175.71 3i8e n ALA 464 N 3.44 -0.69 -1.93 1.32 0.00 -1.26 -3.86 120.51 117.53 3i8e n ALA 464 Ca -0.15 -0.32 -0.08 0.00 0.00 0.00 0.00 53.44 52.89 3i8e n ALA 464 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 3i8e n ALA 464 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i8e n HIS 465 N -2.99 -0.28 -3.37 0.00 8.25 -1.26 -4.14 115.22 111.43 3i8e n HIS 465 Ca 0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.32 3i8e n HIS 465 Cb 0.12 -1.99 0.04 0.00 1.12 0.00 0.00 29.99 29.28 3i8e n HIS 465 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i8e n GLN 466 N -1.99 -1.62 -3.78 -0.41 6.02 -1.26 -4.71 117.38 109.62 3i8e n GLN 466 Ca -0.09 0.91 -0.13 0.00 -0.01 0.00 0.00 57.00 57.69 3i8e n GLN 466 Cb 0.49 -5.01 -0.09 0.00 1.02 0.00 0.00 30.24 26.66 3i8e n GLN 466 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i8e s GLN 467 N -4.52 0.60 -0.22 -1.09 -0.21 -1.25 -2.79 119.66 110.19 3i8e s GLN 467 Ca 0.30 -0.15 0.01 0.00 0.02 0.00 0.00 55.36 55.53 3i8e s GLN 467 Cb -0.07 0.27 0.05 0.00 1.00 0.00 0.00 33.01 34.26 3i8e s GLN 467 CO 0.79 -0.16 -0.09 -0.51 -2.12 0.00 0.00 175.29 173.21 3i8e s LEU 468 N -1.16 2.53 0.30 2.90 1.43 0.43 -4.24 118.68 120.88 3i8e s LEU 468 Ca -0.12 -1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 51.82 3i8e s LEU 468 Cb -0.05 -1.27 -0.08 0.00 0.03 0.00 0.00 46.19 44.82 3i8e s LEU 468 CO 0.03 -0.18 0.66 -0.51 0.23 0.00 0.00 176.35 176.59 3i8e s ILE 469 N 1.35 4.81 -0.42 -0.59 2.07 -1.26 -1.45 121.20 125.71 3i8e s ILE 469 Ca -0.04 0.65 0.06 0.00 -1.41 0.00 0.00 60.65 59.92 3i8e s ILE 469 Cb -0.17 -3.64 0.22 0.00 0.13 0.00 0.00 42.46 38.99 3i8e s ILE 469 CO -0.07 -0.22 0.52 1.67 -1.91 0.00 0.00 174.94 174.93 3i8e n GLN 470 N -0.51 0.53 -1.93 3.50 7.27 -1.25 -4.35 117.38 120.64 3i8e n GLN 470 Ca 0.02 -2.93 -0.42 0.00 0.07 0.00 0.00 57.00 53.74 3i8e n GLN 470 Cb 0.53 -1.41 -0.03 0.00 2.41 0.00 0.00 30.24 31.74 3i8e n GLN 470 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3i8e s ILE 471 N -0.38 3.37 0.36 1.69 1.01 -1.16 -2.50 121.20 123.58 3i8e s ILE 471 Ca 0.34 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.56 3i8e s ILE 471 Cb 0.12 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 3i8e s ILE 471 CO -0.15 -0.04 0.10 0.28 0.00 0.00 0.00 174.94 175.13 3i8e s THR 472 N 3.80 0.78 0.14 2.92 -1.32 -1.21 0.81 115.64 121.56 3i8e s THR 472 Ca 0.76 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.98 3i8e s THR 472 Cb -0.36 -2.54 -0.05 0.00 -1.51 0.00 0.00 72.50 68.04 3i8e s THR 472 CO 0.32 0.00 1.35 -1.20 -2.21 0.00 0.00 174.62 172.88 3i8e n SER 473 N -0.99 -0.91 0.00 8.08 7.64 -1.24 -4.30 113.62 121.90 3i8e n SER 473 Ca -0.04 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.40 3i8e n SER 473 Cb 0.66 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3i8e n SER 473 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8e n ALA 474 N -3.35 0.00 -2.23 -0.43 0.00 -1.26 -0.65 120.51 112.59 3i8e n ALA 474 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 3i8e n ALA 474 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 3i8e n ALA 474 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i8e s SER 475 N -1.04 7.30 -0.40 0.00 1.04 -1.26 -4.54 113.70 114.80 3i8e s SER 475 Ca 0.00 1.97 -0.28 0.00 0.48 0.00 0.00 55.95 58.12 3i8e s SER 475 Cb 0.00 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.52 3i8e s SER 475 CO 0.00 -0.23 1.58 0.54 0.98 0.00 0.00 173.24 176.11 3i8e s VAL 476 N 0.14 3.70 0.00 5.02 0.11 -1.26 -3.34 120.40 124.78 3i8e s VAL 476 Ca 0.51 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 60.25 3i8e s VAL 476 Cb -0.27 -4.00 0.00 0.00 -1.53 0.00 0.00 36.38 30.58 3i8e s VAL 476 CO 0.32 -0.67 0.00 0.54 -3.33 0.00 0.00 175.10 171.96 3i8e n ARG 477 N 8.32 0.56 -3.62 1.54 1.74 -1.04 -2.20 116.66 121.95 3i8e n ARG 477 Ca 0.19 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.11 3i8e n ARG 477 Cb 0.48 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.85 3i8e n ARG 477 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3i8e s LEU 478 N 0.00 -0.16 0.03 0.55 2.96 -1.17 -3.93 118.68 116.96 3i8e s LEU 478 Ca 0.00 0.64 -0.02 0.00 -0.22 0.00 0.00 54.13 54.53 3i8e s LEU 478 Cb 0.00 2.08 -0.02 0.00 0.50 0.00 0.00 46.19 48.75 3i8e s LEU 478 CO 0.00 -0.48 0.00 -0.69 -1.32 0.00 0.00 176.35 173.86 3i8e s VAL 479 N -0.93 0.15 0.46 1.68 1.01 -0.53 -3.79 120.40 118.46 3i8e s VAL 479 Ca -0.09 -1.22 0.06 0.00 0.00 0.00 0.00 61.98 60.73 3i8e s VAL 479 Cb -0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3i8e s VAL 479 CO 0.07 -0.67 0.20 -0.44 0.00 0.00 0.00 175.10 174.26 3i8e s SER 480 N -2.05 4.42 -0.00 3.32 0.01 -1.26 -0.43 113.70 117.71 3i8e s SER 480 Ca -0.07 -1.23 0.16 0.00 1.31 0.00 0.00 55.95 56.13 3i8e s SER 480 Cb -0.03 -0.09 -0.18 0.00 0.21 0.00 0.00 66.02 65.94 3i8e s SER 480 CO -0.04 -0.73 0.62 0.00 0.41 0.00 0.00 173.24 173.49 3i8e n GLN 481 N -1.37 1.63 -0.02 12.44 1.13 -1.12 -3.43 117.38 126.64 3i8e n GLN 481 Ca -0.04 -0.02 -0.01 0.00 -1.94 0.00 0.00 57.00 54.98 3i8e n GLN 481 Cb 0.65 -1.26 -0.00 0.00 0.11 0.00 0.00 30.24 29.73 3i8e n GLN 481 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3i8e n GLU 482 N -1.47 0.12 0.06 -1.09 -0.58 -1.26 -4.79 120.64 111.63 3i8e n GLU 482 Ca 0.02 0.25 -0.20 0.00 -0.42 0.00 0.00 57.16 56.81 3i8e n GLU 482 Cb 0.27 -0.93 -0.14 0.00 -0.57 0.00 0.00 31.44 30.07 3i8e n GLU 482 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3i8e h PRO 483 N -0.26 0.35 -4.27 3.49 0.11 -1.97 -3.50 132.00 125.96 3i8e h PRO 483 Ca 0.00 -0.55 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3i8e h PRO 483 Cb 0.16 0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3i8e h PRO 483 CO 0.00 1.25 -0.01 1.17 -0.21 0.00 0.00 178.00 180.20 3i8e n LYS 484 N -4.09 -0.72 -0.29 1.05 3.00 -1.22 -4.98 118.16 110.91 3i8e n LYS 484 Ca -0.14 1.04 0.00 0.00 -0.00 0.00 0.00 58.31 59.22 3i8e n LYS 484 Cb 0.84 -3.78 0.00 0.00 0.00 0.00 0.00 35.03 32.09 3i8e n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8e n ALA 485 N -1.38 0.00 -1.95 3.14 0.00 -1.07 -4.63 120.51 114.61 3i8e n ALA 485 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3i8e n ALA 485 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 3i8e n ALA 485 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i8e s LEU 486 N 0.00 3.14 0.01 0.00 2.96 -1.26 -4.16 118.68 119.36 3i8e s LEU 486 Ca 0.00 -0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 53.35 3i8e s LEU 486 Cb 0.00 -2.55 -0.32 0.00 0.50 0.00 0.00 46.19 43.81 3i8e s LEU 486 CO 0.00 -2.89 1.00 0.58 -1.32 0.00 0.00 176.35 173.71 3i8e h VAL 487 N 7.30 1.36 -1.73 1.68 2.07 -1.92 -3.49 116.25 121.52 3i8e h VAL 487 Ca 0.03 -2.55 0.05 0.00 0.82 0.00 0.00 66.70 65.04 3i8e h VAL 487 Cb 1.03 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.78 3i8e h VAL 487 CO 1.18 0.75 0.16 -0.24 0.02 0.00 0.00 177.57 179.44 3i8e n SER 488 N -3.90 -0.40 -1.89 0.57 2.88 -1.26 -4.69 113.62 104.93 3i8e n SER 488 Ca -0.15 -1.19 -0.01 0.00 -1.33 0.00 0.00 58.87 56.19 3i8e n SER 488 Cb 0.96 0.64 0.01 0.00 -0.75 0.00 0.00 64.21 65.08 3i8e n SER 488 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3i8e n GLU 489 N -0.19 0.28 -4.41 -1.46 0.28 -1.26 -3.03 120.64 110.85 3i8e n GLU 489 Ca -0.00 -0.62 -0.23 0.00 -0.16 0.00 0.00 57.16 56.15 3i8e n GLU 489 Cb 0.14 0.83 -0.08 0.00 1.43 0.00 0.00 31.44 33.76 3i8e n GLU 489 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 3i8e s TRP 490 N -4.65 1.77 -0.30 -1.84 -0.00 -0.94 -4.68 118.94 108.31 3i8e s TRP 490 Ca 0.09 -1.50 -0.17 0.00 -0.00 0.00 0.00 56.10 54.52 3i8e s TRP 490 Cb -0.01 -0.94 0.18 0.00 -0.00 0.00 0.00 33.47 32.70 3i8e s TRP 490 CO 0.02 -0.60 1.15 0.21 -0.00 0.00 0.00 176.95 177.74 3i8e s LYS 491 N -3.56 0.13 -0.12 5.86 2.47 -1.26 -4.48 119.74 118.78 3i8e s LYS 491 Ca 0.31 0.31 -0.36 0.00 -1.56 0.00 0.00 55.97 54.67 3i8e s LYS 491 Cb 0.02 0.18 -0.13 0.00 -1.46 0.00 0.00 37.83 36.44 3i8e s LYS 491 CO 0.21 -0.08 1.82 -1.91 0.16 0.00 0.00 175.35 175.55 3i8e n GLU 492 N 4.96 1.90 0.00 4.03 0.00 -1.26 -4.69 120.64 125.57 3i8e n GLU 492 Ca -0.08 0.70 0.00 0.00 0.00 0.00 0.00 57.16 57.78 3i8e n GLU 492 Cb 0.54 -2.49 0.00 0.00 0.00 0.00 0.00 31.44 29.49 3i8e n GLU 492 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3i8e n PRO 493 N 6.06 0.00 0.00 5.31 -0.02 -1.26 0.62 135.00 145.71 3i8e n PRO 493 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3i8e n PRO 493 Cb 0.25 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3i8e n PRO 493 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i8e n GLN 494 N 2.55 0.00 -2.73 -0.52 6.02 -1.26 -4.99 117.38 116.44 3i8e n GLN 494 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3i8e n GLN 494 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 3i8e n GLN 494 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i8e n ALA 495 N 0.00 -0.58 -1.81 -1.58 0.00 0.20 -5.04 120.51 111.71 3i8e n ALA 495 Ca 0.00 0.17 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 3i8e n ALA 495 Cb 0.06 -2.55 -0.07 0.00 0.00 0.00 0.00 19.45 16.90 3i8e n ALA 495 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i8e s LYS 496 N -5.25 4.48 -0.02 0.00 1.02 -1.25 -5.01 119.74 113.71 3i8e s LYS 496 Ca 0.19 1.25 -0.29 0.00 0.02 0.00 0.00 55.97 57.14 3i8e s LYS 496 Cb -0.08 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 3i8e s LYS 496 CO 0.23 0.21 0.94 -0.80 -0.92 0.00 0.00 175.35 175.02 3i8e s ASN 497 N -1.76 7.30 0.30 2.83 0.01 -1.26 -4.49 114.94 117.87 3i8e s ASN 497 Ca 0.53 1.58 -0.29 0.00 -0.71 0.00 0.00 52.86 53.96 3i8e s ASN 497 Cb -0.16 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 38.85 3i8e s ASN 497 CO 0.21 -0.26 1.38 -0.63 -1.51 0.00 0.00 177.10 176.29 3i8e s ILE 498 N 1.10 2.62 -0.10 0.60 1.01 0.18 -4.75 121.20 121.85 3i8e s ILE 498 Ca 0.50 0.57 -0.12 0.00 0.00 0.00 0.00 60.65 61.60 3i8e s ILE 498 Cb -0.20 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3i8e s ILE 498 CO 0.25 0.12 -0.23 -1.54 0.00 0.00 0.00 174.94 173.54 3i8e n SER 499 N 1.38 1.51 -4.77 3.58 3.41 0.26 -4.69 113.62 114.31 3i8e n SER 499 Ca 0.03 0.25 -0.31 0.00 -0.26 0.00 0.00 58.87 58.58 3i8e n SER 499 Cb 0.41 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.68 3i8e n SER 499 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i8e s VAL 500 N -2.47 4.49 0.16 -3.33 1.01 -0.90 -4.98 120.40 114.37 3i8e s VAL 500 Ca -0.19 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 3i8e s VAL 500 Cb 0.03 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3i8e s VAL 500 CO 0.29 0.14 0.05 0.00 0.00 0.00 0.00 175.10 175.58 3i8e s ALA 501 N -1.36 1.08 -0.21 5.51 0.00 -1.26 -1.65 121.76 123.87 3i8e s ALA 501 Ca 0.28 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 3i8e s ALA 501 Cb -0.12 0.81 0.15 0.00 0.00 0.00 0.00 23.12 23.96 3i8e s ALA 501 CO 0.21 -0.44 1.11 -1.54 0.00 0.00 0.00 175.76 175.10 3i8e s SER 502 N -3.11 -0.28 -0.25 0.00 1.04 -1.06 -4.61 113.70 105.43 3i8e s SER 502 Ca 0.26 0.34 -0.26 0.00 0.48 0.00 0.00 55.95 56.77 3i8e s SER 502 Cb 0.07 0.28 0.12 0.00 0.10 0.00 0.00 66.02 66.58 3i8e s SER 502 CO 0.04 -0.23 0.99 0.00 0.98 0.00 0.00 173.24 175.01 3i8e n ASN 504 N 1.97 0.00 0.00 0.00 0.23 -1.19 -4.90 115.26 111.37 3i8e n ASN 504 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.93 3i8e n ASN 504 Cb 0.56 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 3i8e n ASN 504 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3i8e n SER 505 N -2.29 0.00 -0.11 0.53 2.88 -1.26 -4.34 113.62 109.03 3i8e n SER 505 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 3i8e n SER 505 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 3i8e n SER 505 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i8e n SER 506 N -1.41 2.00 -4.77 -3.46 7.64 -1.26 -4.30 113.62 108.05 3i8e n SER 506 Ca 0.00 -0.10 -0.32 0.00 1.01 0.00 0.00 58.87 59.46 3i8e n SER 506 Cb 0.00 -0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 62.67 3i8e n SER 506 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3i8e s GLN 507 N -2.52 2.98 -0.31 1.43 -0.21 -1.26 -3.55 119.66 116.22 3i8e s GLN 507 Ca -0.34 -0.57 -0.03 0.00 0.02 0.00 0.00 55.36 54.44 3i8e s GLN 507 Cb 0.09 -2.79 0.11 0.00 1.00 0.00 0.00 33.01 31.41 3i8e s GLN 507 CO 0.62 0.61 0.15 0.08 -2.12 0.00 0.00 175.29 174.63 3i8e s VAL 508 N -1.26 0.02 -0.25 1.09 1.01 -1.25 -3.14 120.40 116.62 3i8e s VAL 508 Ca 0.25 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 3i8e s VAL 508 Cb -0.12 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 3i8e s VAL 508 CO 0.17 -0.80 0.15 -0.69 0.00 0.00 0.00 175.10 173.93 3i8e s VAL 509 N 1.80 5.09 0.48 2.92 1.01 -1.16 -0.59 120.40 129.94 3i8e s VAL 509 Ca 0.12 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.21 3i8e s VAL 509 Cb -0.18 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 3i8e s VAL 509 CO -0.26 0.31 0.07 0.68 0.00 0.00 0.00 175.10 175.90 3i8e s VAL 510 N 1.41 0.81 -0.13 2.92 -7.23 -1.26 -2.55 120.40 114.37 3i8e s VAL 510 Ca 0.07 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 3i8e s VAL 510 Cb -0.15 -2.17 0.04 0.00 0.56 0.00 0.00 36.38 34.67 3i8e s VAL 510 CO 0.07 0.00 0.34 0.00 -0.31 0.00 0.00 175.10 175.20 3i8e s ALA 511 N -3.02 -0.84 -0.35 1.32 0.00 -0.66 -3.13 121.76 115.07 3i8e s ALA 511 Ca 0.11 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.18 3i8e s ALA 511 Cb 0.01 -0.62 0.49 0.00 0.00 0.00 0.00 23.12 23.00 3i8e s ALA 511 CO 0.07 -0.18 1.48 0.28 0.00 0.00 0.00 175.76 177.41 3i8e n VAL 512 N 3.24 2.73 -0.59 0.00 0.31 -1.25 -0.57 118.33 122.18 3i8e n VAL 512 Ca -0.16 -3.21 0.00 0.00 -0.01 0.00 0.00 64.34 60.96 3i8e n VAL 512 Cb 0.57 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3i8e n VAL 512 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8e n GLY 513 N -0.98 -3.13 4.92 2.92 0.00 -1.26 -4.60 105.19 103.06 3i8e n GLY 513 Ca 0.41 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3i8e n GLY 513 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8e n ARG 514 N 0.20 0.00 -2.73 1.61 1.74 -1.26 -4.86 116.66 111.36 3i8e n ARG 514 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 3i8e n ARG 514 Cb 0.00 -3.07 -0.06 0.00 -1.02 0.00 0.00 32.46 28.31 3i8e n ARG 514 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i8e s ALA 515 N 0.00 3.14 0.08 7.54 0.00 -1.26 -0.64 121.76 130.62 3i8e s ALA 515 Ca 0.00 0.54 0.08 0.00 0.00 0.00 0.00 51.96 52.58 3i8e s ALA 515 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3i8e s ALA 515 CO 0.00 0.07 -0.21 -0.51 0.00 0.00 0.00 175.76 175.10 3i8e s LEU 516 N -2.47 2.25 0.00 0.00 1.43 -0.35 -3.97 118.68 115.56 3i8e s LEU 516 Ca 0.55 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3i8e s LEU 516 Cb -0.17 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 3i8e s LEU 516 CO 0.22 0.10 0.08 -1.22 0.23 0.00 0.00 176.35 175.77 3i8e n TYR 517 N 1.36 -0.27 -3.16 0.29 4.02 -1.18 -3.25 117.16 114.97 3i8e n TYR 517 Ca -0.19 -0.76 0.05 0.00 -0.01 0.00 0.00 57.90 56.99 3i8e n TYR 517 Cb 0.53 0.09 -0.02 0.00 -0.02 0.00 0.00 39.34 39.92 3i8e n TYR 517 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3i8e s TYR 518 N -2.58 -0.48 0.05 -0.72 6.04 -1.26 -4.52 117.35 113.88 3i8e s TYR 518 Ca 0.11 0.52 0.01 0.00 0.04 0.00 0.00 57.07 57.75 3i8e s TYR 518 Cb 0.00 0.17 0.01 0.00 -1.04 0.00 0.00 41.96 41.10 3i8e s TYR 518 CO 0.08 -0.26 0.05 1.28 -1.54 0.00 0.00 175.55 175.16 3i8e n LEU 519 N 5.45 0.00 -3.69 6.97 4.77 0.24 -2.26 117.00 128.49 3i8e n LEU 519 Ca -0.07 -0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 55.56 3i8e n LEU 519 Cb 0.54 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 3i8e n LEU 519 CO -0.11 -0.38 0.11 -1.10 -1.33 0.00 0.00 177.39 174.59 3i8e s GLN 520 N -2.22 1.05 -0.55 3.23 -0.21 -0.61 -3.81 119.66 116.55 3i8e s GLN 520 Ca 0.04 -0.78 0.06 0.00 0.02 0.00 0.00 55.36 54.70 3i8e s GLN 520 Cb -0.00 0.45 0.23 0.00 1.00 0.00 0.00 33.01 34.68 3i8e s GLN 520 CO 0.02 -0.40 0.60 -0.89 -2.12 0.00 0.00 175.29 172.50 3i8e n ILE 521 N -0.20 0.91 -3.08 1.08 5.41 -1.23 -2.97 119.36 119.27 3i8e n ILE 521 Ca -0.15 -4.60 -0.36 0.00 1.00 0.00 0.00 62.75 58.64 3i8e n ILE 521 Cb 0.63 -2.02 -0.06 0.00 -0.71 0.00 0.00 39.64 37.48 3i8e n ILE 521 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3i8e s HIS 522 N -1.66 3.65 0.00 1.39 3.76 -1.21 -4.74 115.29 116.48 3i8e s HIS 522 Ca 0.36 1.41 0.00 0.00 -0.15 0.00 0.00 55.06 56.67 3i8e s HIS 522 Cb 0.12 -2.63 0.00 0.00 1.11 0.00 0.00 32.58 31.17 3i8e s HIS 522 CO -0.09 0.33 0.00 -2.30 -0.85 0.00 0.00 174.74 171.83 3i8e n PRO 523 N 0.72 0.00 -1.81 8.40 -0.02 -1.26 -1.80 135.00 139.23 3i8e n PRO 523 Ca -0.02 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.36 3i8e n PRO 523 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.97 3i8e n PRO 523 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i8e n GLN 524 N 0.00 -0.76 -3.60 -0.52 6.02 -1.26 -5.01 117.38 112.25 3i8e n GLN 524 Ca 0.00 0.64 -0.14 0.00 -0.01 0.00 0.00 57.00 57.49 3i8e n GLN 524 Cb 0.00 -4.64 -0.07 0.00 1.02 0.00 0.00 30.24 26.55 3i8e n GLN 524 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i8e s GLU 525 N -3.80 0.83 -0.37 -1.09 4.04 -0.74 -4.48 118.70 113.10 3i8e s GLU 525 Ca 0.00 0.70 -0.20 0.00 0.04 0.00 0.00 54.97 55.51 3i8e s GLU 525 Cb 0.00 0.40 0.00 0.00 0.02 0.00 0.00 34.13 34.56 3i8e s GLU 525 CO 0.00 -0.16 0.60 -0.51 -1.84 0.00 0.00 175.26 173.35 3i8e s LEU 526 N -0.14 4.33 -0.23 1.83 1.43 -1.26 -3.34 118.68 121.30 3i8e s LEU 526 Ca -0.02 0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3i8e s LEU 526 Cb -0.03 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 3i8e s LEU 526 CO 0.02 -0.59 0.01 -0.60 0.23 0.00 0.00 176.35 175.42 3i8e s ARG 527 N 2.62 3.49 0.52 1.70 3.52 -1.16 -4.97 118.95 124.67 3i8e s ARG 527 Ca 0.22 -0.57 -0.15 0.00 -0.13 0.00 0.00 55.73 55.11 3i8e s ARG 527 Cb -0.15 -3.16 -0.07 0.00 -1.56 0.00 0.00 34.95 30.02 3i8e s ARG 527 CO 0.15 -0.20 0.97 -1.14 -0.81 0.00 0.00 175.30 174.27 3i8e s GLN 528 N 1.54 3.88 0.00 5.12 0.74 -1.26 -1.57 119.66 128.11 3i8e s GLN 528 Ca 0.06 0.87 0.00 0.00 0.05 0.00 0.00 55.36 56.34 3i8e s GLN 528 Cb -0.15 -2.16 0.00 0.00 1.10 0.00 0.00 33.01 31.81 3i8e s GLN 528 CO -0.00 -0.29 0.00 -0.89 -0.55 0.00 0.00 175.29 173.56 3i8e n ILE 529 N -1.71 0.00 -3.90 -2.34 5.41 -0.96 -4.97 119.36 110.89 3i8e n ILE 529 Ca 0.06 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.58 3i8e n ILE 529 Cb 0.54 -0.24 -0.05 0.00 -0.71 0.00 0.00 39.64 39.18 3i8e n ILE 529 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3i8e s SER 530 N 0.98 4.77 -0.20 4.38 0.01 -1.26 -5.01 113.70 117.37 3i8e s SER 530 Ca 0.00 -0.84 -0.14 0.00 1.31 0.00 0.00 55.95 56.28 3i8e s SER 530 Cb 0.00 -0.61 0.06 0.00 0.21 0.00 0.00 66.02 65.68 3i8e s SER 530 CO 0.00 -0.50 0.51 -2.28 0.41 0.00 0.00 173.24 171.38 3i8e s HIS 531 N -2.49 -0.69 -0.16 2.43 2.46 -1.26 -3.98 115.29 111.60 3i8e s HIS 531 Ca 0.43 1.51 -0.13 0.00 0.47 0.00 0.00 55.06 57.34 3i8e s HIS 531 Cb -0.01 0.32 0.04 0.00 -0.13 0.00 0.00 32.58 32.80 3i8e s HIS 531 CO 0.25 -0.36 0.41 0.99 -2.47 0.00 0.00 174.74 173.56 3i8e s THR 532 N 1.01 -0.01 0.82 0.89 2.01 -1.20 -5.02 115.64 114.14 3i8e s THR 532 Ca -0.06 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 3i8e s THR 532 Cb -0.06 -0.58 0.09 0.00 0.01 0.00 0.00 72.50 71.96 3i8e s THR 532 CO -0.09 0.01 1.19 -0.70 -0.69 0.00 0.00 174.62 174.34 3i8e s GLU 533 N 0.49 1.87 0.09 4.92 2.12 -1.26 -1.22 118.70 125.71 3i8e s GLU 533 Ca -0.02 0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.42 3i8e s GLU 533 Cb -0.04 -1.95 -0.03 0.00 0.26 0.00 0.00 34.13 32.37 3i8e s GLU 533 CO -0.03 -1.65 -0.11 -1.64 -0.54 0.00 0.00 175.26 171.29 3i8e s MET 534 N -5.60 0.84 0.13 4.30 -1.94 0.19 -4.87 119.30 112.35 3i8e s MET 534 Ca 0.63 -1.09 -0.27 0.00 -1.71 0.00 0.00 55.69 53.25 3i8e s MET 534 Cb -0.10 -0.64 -0.07 0.00 2.01 0.00 0.00 34.83 36.02 3i8e s MET 534 CO 0.49 0.12 1.46 0.93 -0.01 0.00 0.00 175.02 178.01 3i8e h GLU 535 N 3.80 -0.09 0.00 2.03 4.39 -1.99 -3.45 114.58 119.27 3i8e h GLU 535 Ca -0.38 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.20 3i8e h GLU 535 Cb 1.19 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 3i8e h GLU 535 CO 0.49 -0.06 -0.09 0.72 -1.16 0.00 0.00 179.01 178.91 3i8e n HIS 536 N -4.93 0.12 -2.46 4.33 8.25 -1.26 -5.10 115.22 114.17 3i8e n HIS 536 Ca 0.00 -0.51 -0.39 0.00 -0.26 0.00 0.00 57.72 56.56 3i8e n HIS 536 Cb 0.24 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 3i8e n HIS 536 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3i8e s GLU 537 N -2.33 4.49 -0.09 -0.41 2.02 -1.26 -4.30 118.70 116.81 3i8e s GLU 537 Ca 0.02 1.76 -0.30 0.00 0.02 0.00 0.00 54.97 56.48 3i8e s GLU 537 Cb 0.00 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 3i8e s GLU 537 CO 0.02 0.09 1.18 0.08 0.02 0.00 0.00 175.26 176.64 3i8e s VAL 538 N -1.28 4.36 -0.20 2.63 1.01 -1.26 -0.50 120.40 125.16 3i8e s VAL 538 Ca 0.48 1.66 0.17 0.00 0.00 0.00 0.00 61.98 64.30 3i8e s VAL 538 Cb -0.30 -4.07 -0.24 0.00 0.00 0.00 0.00 36.38 31.76 3i8e s VAL 538 CO 0.39 -0.04 0.07 0.00 0.00 0.00 0.00 175.10 175.51 3i8e n ALA 539 N 5.52 1.51 -3.60 5.51 0.00 -0.97 -4.79 120.51 123.69 3i8e n ALA 539 Ca 0.11 -1.31 -0.11 0.00 0.00 0.00 0.00 53.44 52.13 3i8e n ALA 539 Cb 0.46 -0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 3i8e n ALA 539 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8e s LEU 541 N -0.43 2.12 -0.06 0.00 1.43 -1.26 -2.79 118.68 117.69 3i8e s LEU 541 Ca -0.01 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3i8e s LEU 541 Cb -0.03 -0.59 0.03 0.00 0.03 0.00 0.00 46.19 45.63 3i8e s LEU 541 CO -0.00 0.06 0.00 -0.62 0.23 0.00 0.00 176.35 176.02 3i8e s ASP 542 N -0.87 1.27 -0.06 2.29 2.15 -1.26 -4.77 116.67 115.42 3i8e s ASP 542 Ca 0.02 -0.06 0.03 0.00 0.43 0.00 0.00 52.55 52.97 3i8e s ASP 542 Cb -0.07 -0.37 0.01 0.00 -0.30 0.00 0.00 42.92 42.19 3i8e s ASP 542 CO 0.01 -0.17 -0.15 0.27 -0.17 0.00 0.00 175.17 174.96 3i8e s ILE 543 N 1.70 1.29 -0.18 4.11 -5.25 -1.26 -4.46 121.20 117.15 3i8e s ILE 543 Ca 0.01 -0.59 -0.15 0.00 -0.99 0.00 0.00 60.65 58.92 3i8e s ILE 543 Cb -0.13 -1.15 0.05 0.00 2.95 0.00 0.00 42.46 44.19 3i8e s ILE 543 CO -0.04 0.38 0.48 -0.89 -1.79 0.00 0.00 174.94 173.08 3i8e s THR 544 N 0.44 -0.00 -0.17 8.37 2.01 -1.26 -4.57 115.64 120.45 3i8e s THR 544 Ca -0.12 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.61 3i8e s THR 544 Cb -0.14 -0.67 -0.00 0.00 0.01 0.00 0.00 72.50 71.69 3i8e s THR 544 CO 0.04 0.01 1.07 -2.16 -0.69 0.00 0.00 174.62 172.89 3i8e s PRO 545 N 0.47 4.31 0.00 4.92 0.04 -1.26 -4.88 135.00 138.60 3i8e s PRO 545 Ca -0.02 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.46 3i8e s PRO 545 Cb -0.04 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.88 3i8e s PRO 545 CO -0.02 -0.53 0.00 1.28 0.04 0.00 0.00 177.00 177.77 3i8e n LEU 546 N 5.89 0.00 -1.44 -3.56 4.32 -1.26 -4.87 117.00 116.08 3i8e n LEU 546 Ca 0.11 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.16 3i8e n LEU 546 Cb 0.47 0.00 0.28 0.00 -1.62 0.00 0.00 43.42 42.55 3i8e n LEU 546 CO 0.53 -0.00 0.70 0.61 -1.22 0.00 0.00 177.39 178.00 3i8e n GLY 547 N 4.84 2.43 0.00 -0.72 0.00 -1.26 -4.00 105.19 106.47 3i8e n GLY 547 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3i8e n GLY 547 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i8e n ASP 548 N 0.53 0.15 -3.67 1.61 3.85 -1.26 -5.05 116.55 112.71 3i8e n ASP 548 Ca 0.20 -0.52 -0.09 0.00 -0.71 0.00 0.00 54.79 53.67 3i8e n ASP 548 Cb 0.87 0.69 -0.09 0.00 -1.35 0.00 0.00 41.12 41.24 3i8e n ASP 548 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3i8e s SER 549 N -0.69 -0.69 -0.44 -1.12 1.04 -1.26 -5.10 113.70 105.44 3i8e s SER 549 Ca 0.00 1.16 -0.28 0.00 0.48 0.00 0.00 55.95 57.31 3i8e s SER 549 Cb 0.00 1.07 0.03 0.00 0.10 0.00 0.00 66.02 67.22 3i8e s SER 549 CO 0.00 -0.21 1.06 0.20 0.98 0.00 0.00 173.24 175.26 3i8e s ASN 550 N 1.58 6.66 0.00 7.02 0.01 -1.26 -4.25 114.94 124.69 3i8e s ASN 550 Ca -0.09 0.50 0.00 0.00 -0.71 0.00 0.00 52.86 52.55 3i8e s ASN 550 Cb -0.07 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3i8e s ASN 550 CO -0.16 -1.10 0.00 0.61 -1.51 0.00 0.00 177.10 174.94 3i8e n GLY 551 N 4.66 1.43 3.80 0.66 0.00 -1.26 -4.94 105.19 109.54 3i8e n GLY 551 Ca 0.10 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3i8e n GLY 551 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i8e s LEU 552 N 0.00 3.50 -0.04 0.99 2.96 -1.26 -4.56 118.68 120.26 3i8e s LEU 552 Ca 0.00 1.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 3i8e s LEU 552 Cb 0.00 -4.54 0.03 0.00 0.50 0.00 0.00 46.19 42.18 3i8e s LEU 552 CO 0.00 -1.24 -0.02 -0.55 -1.32 0.00 0.00 176.35 173.23 3i8e s SER 553 N -2.70 0.87 0.00 3.68 0.15 -1.26 -4.56 113.70 109.89 3i8e s SER 553 Ca 0.65 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.22 3i8e s SER 553 Cb -0.17 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 3i8e s SER 553 CO 0.37 -0.10 0.00 -2.65 1.20 0.00 0.00 173.24 172.06 3i8e n PRO 554 N 4.32 3.00 -0.94 5.44 -0.02 -1.26 -4.95 135.00 140.59 3i8e n PRO 554 Ca -0.22 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 60.95 3i8e n PRO 554 Cb 0.50 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.12 3i8e n PRO 554 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3i8e s LEU 555 N 0.00 2.99 0.09 2.45 2.34 -1.26 -4.66 118.68 120.63 3i8e s LEU 555 Ca 0.00 2.21 0.00 0.00 0.06 0.00 0.00 54.13 56.40 3i8e s LEU 555 Cb 0.00 -4.57 -0.04 0.00 -0.56 0.00 0.00 46.19 41.02 3i8e s LEU 555 CO 0.00 -2.79 -0.03 0.00 -1.06 0.00 0.00 176.35 172.47 3i8e s ALA 557 N -3.78 0.09 0.01 0.00 0.00 -1.26 0.79 121.76 117.61 3i8e s ALA 557 Ca 0.13 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.20 3i8e s ALA 557 Cb 0.07 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.51 3i8e s ALA 557 CO -0.05 -0.38 0.21 -1.50 0.00 0.00 0.00 175.76 174.04 3i8e s ILE 558 N -3.32 0.08 -0.24 0.00 2.07 -0.55 -3.98 121.20 115.25 3i8e s ILE 558 Ca 0.01 -0.69 0.02 0.00 -1.41 0.00 0.00 60.65 58.59 3i8e s ILE 558 Cb 0.03 -0.65 0.05 0.00 0.13 0.00 0.00 42.46 42.02 3i8e s ILE 558 CO -0.08 -0.38 -0.12 -0.83 -1.91 0.00 0.00 174.94 171.62 3i8e s GLY 559 N -1.60 1.61 0.00 1.50 0.00 -1.12 -0.18 107.32 107.52 3i8e s GLY 559 Ca -0.11 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 42.97 3i8e s GLY 559 CO 0.01 0.54 0.00 1.04 0.00 0.00 0.00 173.10 174.69 3i8e n LEU 560 N 4.49 0.00 -0.06 0.66 4.77 -0.56 -2.29 117.00 124.02 3i8e n LEU 560 Ca -0.16 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.72 3i8e n LEU 560 Cb 0.44 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 3i8e n LEU 560 CO 0.23 -0.17 -0.87 1.87 -1.33 0.00 0.00 177.39 177.11 3i8e n TRP 561 N -0.64 0.00 -0.04 -1.77 -0.00 0.35 -4.33 117.44 111.00 3i8e n TRP 561 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.47 3i8e n TRP 561 Cb 0.00 -0.41 -0.09 0.00 -0.00 0.00 0.00 31.31 30.82 3i8e n TRP 561 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 3i8e n THR 562 N -3.20 0.58 -0.12 5.87 -1.04 -1.26 -4.06 114.28 111.05 3i8e n THR 562 Ca -0.21 -0.41 -0.05 0.00 -2.04 0.00 0.00 64.05 61.34 3i8e n THR 562 Cb 0.68 -0.51 0.02 0.00 -1.82 0.00 0.00 70.33 68.69 3i8e n THR 562 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3i8e h ASP 563 N 0.00 -0.42 -5.14 8.00 3.32 -1.95 -3.47 116.42 116.75 3i8e h ASP 563 Ca -0.23 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3i8e h ASP 563 Cb 1.42 0.27 0.00 0.00 0.22 0.00 0.00 39.33 41.24 3i8e h ASP 563 CO 0.01 -0.15 -0.00 -0.38 -1.72 0.00 0.00 179.24 177.00 3i8e n ILE 564 N -5.32 -9.31 -3.88 0.35 5.41 -1.26 -4.67 119.36 100.68 3i8e n ILE 564 Ca 0.02 -0.22 -0.09 0.00 1.00 0.00 0.00 62.75 63.46 3i8e n ILE 564 Cb 0.23 -6.61 -0.08 0.00 -0.71 0.00 0.00 39.64 32.47 3i8e n ILE 564 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3i8e s SER 565 N -2.91 0.14 -0.12 4.38 1.04 -1.26 -2.27 113.70 112.70 3i8e s SER 565 Ca 0.00 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.83 3i8e s SER 565 Cb -0.00 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.44 3i8e s SER 565 CO 0.68 -0.67 -0.15 0.00 0.98 0.00 0.00 173.24 174.09 3i8e s ALA 566 N -3.51 1.73 -0.01 5.32 0.00 -0.87 -1.49 121.76 122.92 3i8e s ALA 566 Ca 0.02 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.26 3i8e s ALA 566 Cb 0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 3i8e s ALA 566 CO -0.09 -0.17 -0.15 -0.98 0.00 0.00 0.00 175.76 174.37 3i8e s ARG 567 N 1.14 1.25 -0.16 0.00 1.70 0.74 -0.25 118.95 123.38 3i8e s ARG 567 Ca -0.03 -0.54 -0.21 0.00 -0.47 0.00 0.00 55.73 54.48 3i8e s ARG 567 Cb -0.14 -1.20 -0.03 0.00 -0.57 0.00 0.00 34.95 33.01 3i8e s ARG 567 CO -0.04 0.31 0.64 0.42 -1.08 0.00 0.00 175.30 175.55 3i8e s ILE 568 N -0.31 5.04 0.32 4.99 -1.09 0.34 -1.48 121.20 129.02 3i8e s ILE 568 Ca 0.05 1.24 0.02 0.00 -2.23 0.00 0.00 60.65 59.73 3i8e s ILE 568 Cb -0.06 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 3i8e s ILE 568 CO -0.00 0.16 0.07 0.18 -1.23 0.00 0.00 174.94 174.12 3i8e n LEU 569 N 4.61 0.00 0.00 2.97 4.32 0.24 -0.32 117.00 128.81 3i8e n LEU 569 Ca -0.02 -2.29 -0.03 0.00 -0.02 0.00 0.00 56.01 53.66 3i8e n LEU 569 Cb 0.50 0.59 0.01 0.00 -1.62 0.00 0.00 43.42 42.90 3i8e n LEU 569 CO 0.45 -0.34 0.04 1.17 -1.22 0.00 0.00 177.39 177.48 3i8e n LYS 570 N -0.75 1.05 0.04 3.23 4.81 -0.18 -2.75 118.16 123.61 3i8e n LYS 570 Ca -0.08 -0.40 0.00 0.00 -0.87 0.00 0.00 58.31 56.96 3i8e n LYS 570 Cb 0.45 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.49 3i8e n LYS 570 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3i8e n LEU 571 N 0.00 0.87 -0.31 3.14 7.94 -1.26 -4.26 117.00 123.12 3i8e n LEU 571 Ca 0.02 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 3i8e n LEU 571 Cb 0.08 -0.26 0.13 0.00 0.53 0.00 0.00 43.42 43.90 3i8e n LEU 571 CO 0.05 -0.71 1.19 -0.65 -1.11 0.00 0.00 177.39 176.16 3i8e h PRO 572 N 0.00 0.95 0.00 1.96 0.11 -1.93 -3.30 132.00 129.79 3i8e h PRO 572 Ca 0.00 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 3i8e h PRO 572 Cb 0.00 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 30.87 3i8e h PRO 572 CO 0.00 0.63 -1.95 -1.13 -0.21 0.00 0.00 178.00 175.34 3i8e n SER 573 N -4.61 0.21 0.00 -2.05 3.41 -1.26 -4.86 113.62 104.46 3i8e n SER 573 Ca 0.12 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3i8e n SER 573 Cb 0.15 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 3i8e n SER 573 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i8e n PHE 574 N -2.55 0.00 -1.18 7.33 3.01 -1.25 -5.00 117.46 117.83 3i8e n PHE 574 Ca -0.14 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.99 3i8e n PHE 574 Cb 0.80 -0.12 0.12 0.00 -0.01 0.00 0.00 39.48 40.27 3i8e n PHE 574 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3i8e s GLU 575 N -0.11 1.78 -0.22 -1.08 -1.05 -1.26 -4.58 118.70 112.18 3i8e s GLU 575 Ca 0.00 1.64 -0.13 0.00 -0.15 0.00 0.00 54.97 56.33 3i8e s GLU 575 Cb 0.00 -1.80 -0.05 0.00 -0.44 0.00 0.00 34.13 31.84 3i8e s GLU 575 CO 0.00 -2.08 0.26 -1.17 0.95 0.00 0.00 175.26 173.22 3i8e s LEU 576 N -5.69 4.13 0.00 1.83 1.98 -1.26 -1.01 118.68 118.66 3i8e s LEU 576 Ca 0.71 0.29 0.00 0.00 -2.89 0.00 0.00 54.13 52.23 3i8e s LEU 576 Cb -0.26 -2.28 0.00 0.00 0.66 0.00 0.00 46.19 44.31 3i8e s LEU 576 CO 0.50 0.00 0.00 0.18 -1.89 0.00 0.00 176.35 175.15 3i8e n LEU 577 N 4.37 0.00 -4.67 -0.68 4.32 0.56 -4.99 117.00 115.91 3i8e n LEU 577 Ca -0.12 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.57 3i8e n LEU 577 Cb 0.52 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.23 3i8e n LEU 577 CO 0.37 0.00 -0.34 -2.28 -1.22 0.00 0.00 177.39 173.92 3i8e s HIS 578 N 0.07 2.94 -0.05 -1.77 5.65 -1.17 -4.98 115.29 115.99 3i8e s HIS 578 Ca 0.00 -0.06 0.02 0.00 0.25 0.00 0.00 55.06 55.27 3i8e s HIS 578 Cb 0.00 -1.50 0.01 0.00 -1.18 0.00 0.00 32.58 29.91 3i8e s HIS 578 CO 0.00 0.48 -0.09 -1.59 -0.65 0.00 0.00 174.74 172.89 3i8e s LYS 579 N -2.38 1.25 -0.32 2.88 -2.85 -1.26 0.13 119.74 117.19 3i8e s LYS 579 Ca 0.25 -0.29 -0.13 0.00 -1.00 0.00 0.00 55.97 54.81 3i8e s LYS 579 Cb -0.11 -1.11 -0.03 0.00 -2.06 0.00 0.00 37.83 34.52 3i8e s LYS 579 CO 0.18 0.01 0.25 -2.00 0.10 0.00 0.00 175.35 173.89 3i8e s GLU 580 N 0.63 3.65 0.07 1.78 2.56 0.65 -4.98 118.70 123.07 3i8e s GLU 580 Ca -0.11 -0.49 -0.30 0.00 0.00 0.00 0.00 54.97 54.07 3i8e s GLU 580 Cb -0.14 -3.76 -0.05 0.00 2.00 0.00 0.00 34.13 32.18 3i8e s GLU 580 CO 0.02 -0.38 1.09 1.41 -0.56 0.00 0.00 175.26 176.84 3i8e s MET 581 N 1.80 4.52 0.16 4.30 -2.45 -1.26 -2.06 119.30 124.31 3i8e s MET 581 Ca 0.08 1.63 0.08 0.00 -1.25 0.00 0.00 55.69 56.23 3i8e s MET 581 Cb -0.17 -3.37 -0.04 0.00 1.25 0.00 0.00 34.83 32.50 3i8e s MET 581 CO 0.11 -0.09 -0.09 -0.51 1.05 0.00 0.00 175.02 175.49 3i8e s LEU 582 N 0.69 3.02 0.00 4.11 1.43 -0.96 -4.97 118.68 121.99 3i8e s LEU 582 Ca 0.54 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3i8e s LEU 582 Cb -0.26 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.22 3i8e s LEU 582 CO 0.30 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.61 3i8e n GLY 583 N 0.21 -0.25 0.60 -3.19 0.00 -1.26 -4.80 105.19 96.51 3i8e n GLY 583 Ca -0.11 -1.49 0.08 0.00 0.00 0.00 0.00 46.02 44.49 3i8e n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8e n GLY 584 N 4.36 -2.56 0.09 -0.02 0.00 -1.26 -4.82 105.19 100.97 3i8e n GLY 584 Ca 0.00 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 44.75 3i8e n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8e n GLU 585 N -3.13 1.62 -4.77 1.61 -0.58 -1.26 -5.00 120.64 109.13 3i8e n GLU 585 Ca -0.03 -1.70 -0.33 0.00 -0.42 0.00 0.00 57.16 54.68 3i8e n GLU 585 Cb 0.28 -1.05 -0.13 0.00 -0.57 0.00 0.00 31.44 29.97 3i8e n GLU 585 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i8e s ILE 586 N -1.43 3.27 0.75 -3.67 -1.09 -1.26 -5.12 121.20 112.65 3i8e s ILE 586 Ca 0.12 -0.63 -0.11 0.00 -2.23 0.00 0.00 60.65 57.80 3i8e s ILE 586 Cb 0.10 -2.33 0.05 0.00 -1.58 0.00 0.00 42.46 38.70 3i8e s ILE 586 CO 0.01 0.57 1.09 0.27 -1.23 0.00 0.00 174.94 175.65 3i8e s ILE 587 N -0.45 3.39 0.39 2.92 -0.00 -1.26 -4.60 121.20 121.59 3i8e s ILE 587 Ca 0.06 0.47 -0.27 0.00 -0.00 0.00 0.00 60.65 60.90 3i8e s ILE 587 Cb -0.12 -2.98 -0.10 0.00 -0.00 0.00 0.00 42.46 39.26 3i8e s ILE 587 CO 0.02 -0.57 1.40 -2.16 -0.00 0.00 0.00 174.94 173.63 3i8e s PRO 588 N -4.84 4.05 -0.16 0.37 0.04 -1.26 -3.16 135.00 130.04 3i8e s PRO 588 Ca 0.61 2.38 -0.01 0.00 0.04 0.00 0.00 61.00 64.02 3i8e s PRO 588 Cb -0.17 -2.88 -0.09 0.00 0.04 0.00 0.00 34.50 31.39 3i8e s PRO 588 CO 0.55 -0.51 -0.16 -2.13 0.04 0.00 0.00 177.00 174.79 3i8e n ARG 589 N 0.33 0.38 -4.68 4.56 0.00 0.23 -4.74 116.66 112.75 3i8e n ARG 589 Ca 0.02 0.11 -0.23 0.00 -0.00 0.00 0.00 57.85 57.75 3i8e n ARG 589 Cb 0.41 -1.26 -0.15 0.00 0.00 0.00 0.00 32.46 31.46 3i8e n ARG 589 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3i8e s SER 590 N -5.74 1.75 -0.01 6.15 0.01 -1.24 -4.85 113.70 109.77 3i8e s SER 590 Ca -0.21 -0.27 0.05 0.00 1.31 0.00 0.00 55.95 56.82 3i8e s SER 590 Cb 0.06 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 3i8e s SER 590 CO 0.34 0.16 -0.15 -0.51 0.41 0.00 0.00 173.24 173.49 3i8e s ILE 591 N -0.20 1.17 0.05 1.44 1.10 -1.26 -1.03 121.20 122.48 3i8e s ILE 591 Ca 0.03 -0.65 -0.14 0.00 -0.51 0.00 0.00 60.65 59.38 3i8e s ILE 591 Cb -0.07 -0.98 0.02 0.00 0.15 0.00 0.00 42.46 41.58 3i8e s ILE 591 CO 0.00 0.32 0.32 -0.22 -2.11 0.00 0.00 174.94 173.26 3i8e s LEU 592 N -0.37 0.79 -0.02 8.50 2.96 -0.39 -4.56 118.68 125.59 3i8e s LEU 592 Ca 0.06 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3i8e s LEU 592 Cb -0.06 1.44 0.01 0.00 0.50 0.00 0.00 46.19 48.08 3i8e s LEU 592 CO -0.01 -0.64 -0.04 0.00 -1.32 0.00 0.00 176.35 174.34 3i8e s MET 593 N -2.68 0.51 -0.14 1.98 0.23 -1.26 -2.12 119.30 115.82 3i8e s MET 593 Ca -0.04 -0.13 -0.08 0.00 -1.03 0.00 0.00 55.69 54.41 3i8e s MET 593 Cb -0.00 -0.53 0.05 0.00 -1.53 0.00 0.00 34.83 32.82 3i8e s MET 593 CO -0.04 0.03 0.33 0.95 -2.03 0.00 0.00 175.02 174.26 3i8e s THR 594 N 0.31 -0.03 0.05 3.16 -4.23 -1.14 -4.94 115.64 108.83 3i8e s THR 594 Ca -0.03 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 3i8e s THR 594 Cb -0.07 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 3i8e s THR 594 CO -0.00 0.04 0.06 -0.89 -0.54 0.00 0.00 174.62 173.28 3i8e s THR 595 N 1.13 4.46 0.00 3.99 2.01 -1.26 -2.46 115.64 123.51 3i8e s THR 595 Ca -0.08 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.25 3i8e s THR 595 Cb -0.08 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.33 3i8e s THR 595 CO -0.09 0.22 0.00 0.49 -0.69 0.00 0.00 174.62 174.55 3i8e n PHE 596 N 0.80 0.00 0.00 4.92 3.01 -1.25 -4.94 117.46 120.00 3i8e n PHE 596 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 3i8e n PHE 596 Cb 0.52 0.17 0.00 0.00 -0.01 0.00 0.00 39.48 40.16 3i8e n PHE 596 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i8e n GLU 597 N -1.96 0.00 -2.79 -1.08 4.71 -1.26 -4.88 120.64 113.39 3i8e n GLU 597 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 3i8e n GLU 597 Cb 0.00 -0.03 0.01 0.00 -1.01 0.00 0.00 31.44 30.42 3i8e n GLU 597 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3i8e n SER 598 N -2.08 1.53 -3.53 1.62 7.64 -1.26 -5.07 113.62 112.47 3i8e n SER 598 Ca 0.00 -2.86 -0.15 0.00 1.01 0.00 0.00 58.87 56.88 3i8e n SER 598 Cb 0.00 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.60 3i8e n SER 598 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3i8e s SER 599 N -2.98 -0.55 -0.09 6.43 0.01 -1.26 -5.16 113.70 110.10 3i8e s SER 599 Ca 0.32 0.52 0.01 0.00 1.31 0.00 0.00 55.95 58.10 3i8e s SER 599 Cb 0.43 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 67.10 3i8e s SER 599 CO -0.01 -0.56 -0.10 -1.00 0.41 0.00 0.00 173.24 171.98 3i8e s HIS 600 N -1.51 2.84 0.13 2.43 3.76 -1.26 -3.88 115.29 117.81 3i8e s HIS 600 Ca -0.06 -0.25 0.10 0.00 -0.15 0.00 0.00 55.06 54.70 3i8e s HIS 600 Cb -0.00 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 3i8e s HIS 600 CO 0.04 0.09 -0.25 0.71 -0.85 0.00 0.00 174.74 174.49 3i8e s TYR 601 N -0.32 2.15 -0.11 1.40 1.51 -1.03 -2.82 117.35 118.13 3i8e s TYR 601 Ca 0.04 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3i8e s TYR 601 Cb -0.13 -1.15 0.03 0.00 -0.11 0.00 0.00 41.96 40.60 3i8e s TYR 601 CO 0.02 0.33 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.58 3i8e s LEU 602 N -2.14 1.04 -0.06 -1.29 2.96 -0.66 -2.88 118.68 115.66 3i8e s LEU 602 Ca 0.13 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3i8e s LEU 602 Cb -0.09 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 45.87 3i8e s LEU 602 CO 0.06 -0.15 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.94 3i8e s LEU 603 N 1.79 2.05 -0.04 -0.68 1.02 -0.90 -1.29 118.68 120.63 3i8e s LEU 603 Ca 0.04 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.72 3i8e s LEU 603 Cb -0.13 -1.33 0.01 0.00 0.02 0.00 0.00 46.19 44.77 3i8e s LEU 603 CO -0.07 0.23 -0.07 0.00 0.02 0.00 0.00 176.35 176.46 3i8e s ALA 605 N 0.55 3.21 0.47 0.00 0.00 -0.19 -1.65 121.76 124.14 3i8e s ALA 605 Ca -0.08 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.80 3i8e s ALA 605 Cb -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 3i8e s ALA 605 CO 0.01 0.68 0.01 -0.51 0.00 0.00 0.00 175.76 175.95 3i8e s LEU 606 N -2.15 2.56 0.05 0.00 1.43 -0.49 -0.60 118.68 119.49 3i8e s LEU 606 Ca 0.24 -1.52 -0.20 0.00 -1.03 0.00 0.00 54.13 51.62 3i8e s LEU 606 Cb -0.12 -0.82 -0.12 0.00 0.03 0.00 0.00 46.19 45.16 3i8e s LEU 606 CO 0.16 -0.68 1.43 1.23 0.23 0.00 0.00 176.35 178.72 3i8e h GLY 607 N 1.52 0.36 0.80 -3.19 0.00 -1.80 -3.00 103.07 97.77 3i8e h GLY 607 Ca -0.44 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3i8e h GLY 607 CO 0.77 0.28 0.00 2.09 0.00 0.00 0.00 176.54 179.68 3i8e n ASP 608 N -4.65 0.00 0.00 0.19 3.85 -1.26 -3.14 116.55 111.53 3i8e n ASP 608 Ca -0.05 -0.01 0.00 0.00 -0.71 0.00 0.00 54.79 54.01 3i8e n ASP 608 Cb 0.28 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 3i8e n ASP 608 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i8e n GLY 609 N -0.88 3.00 3.50 6.12 0.00 -1.13 -4.56 105.19 111.24 3i8e n GLY 609 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3i8e n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8e n ALA 610 N -0.10 -2.57 -3.15 4.61 0.00 -1.26 -3.46 120.51 114.58 3i8e n ALA 610 Ca 0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 53.44 52.26 3i8e n ALA 610 Cb 0.00 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 17.37 3i8e n ALA 610 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i8e s LEU 611 N -6.57 0.90 0.05 0.00 0.20 -1.22 -1.40 118.68 110.65 3i8e s LEU 611 Ca 0.67 -0.03 0.08 0.00 0.69 0.00 0.00 54.13 55.55 3i8e s LEU 611 Cb -0.24 1.26 -0.03 0.00 -0.43 0.00 0.00 46.19 46.75 3i8e s LEU 611 CO 0.64 -0.50 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.60 3i8e s PHE 612 N -1.76 2.07 -0.15 5.38 0.40 -0.66 -2.47 117.98 120.81 3i8e s PHE 612 Ca -0.11 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 55.83 3i8e s PHE 612 Cb -0.04 -1.23 -0.01 0.00 0.51 0.00 0.00 43.02 42.25 3i8e s PHE 612 CO 0.02 0.12 -0.13 1.52 0.70 0.00 0.00 175.22 177.44 3i8e s TYR 613 N -0.82 2.81 0.26 0.36 1.13 -1.21 -2.88 117.35 117.00 3i8e s TYR 613 Ca 0.10 -0.82 0.04 0.00 -1.41 0.00 0.00 57.07 54.98 3i8e s TYR 613 Cb -0.09 -1.88 -0.06 0.00 -1.10 0.00 0.00 41.96 38.83 3i8e s TYR 613 CO 0.02 -0.34 -0.01 -0.06 -2.51 0.00 0.00 175.55 172.65 3i8e s PHE 614 N 0.63 1.73 -0.16 -3.49 0.40 -0.41 -4.10 117.98 112.58 3i8e s PHE 614 Ca -0.07 -0.86 0.01 0.00 -0.60 0.00 0.00 56.93 55.41 3i8e s PHE 614 Cb -0.16 -1.02 0.02 0.00 0.51 0.00 0.00 43.02 42.37 3i8e s PHE 614 CO 0.03 0.06 -0.19 0.20 0.70 0.00 0.00 175.22 176.01 3i8e s GLY 615 N -3.37 1.32 0.19 4.36 0.00 -1.26 -1.64 107.32 106.91 3i8e s GLY 615 Ca 0.30 -1.11 0.10 0.00 0.00 0.00 0.00 44.72 44.01 3i8e s GLY 615 CO 0.11 0.22 -0.15 -2.27 0.00 0.00 0.00 173.10 171.01 3i8e s LEU 616 N 1.16 2.76 0.04 0.66 2.96 -1.13 -2.96 118.68 122.17 3i8e s LEU 616 Ca 0.01 -0.69 0.04 0.00 -0.22 0.00 0.00 54.13 53.27 3i8e s LEU 616 Cb -0.14 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3i8e s LEU 616 CO -0.09 0.11 -0.06 0.20 -1.32 0.00 0.00 176.35 175.19 3i8e s ASN 617 N -2.78 4.63 0.52 3.68 0.01 -1.26 -4.19 114.94 115.54 3i8e s ASN 617 Ca 0.23 -0.20 0.25 0.00 -0.71 0.00 0.00 52.86 52.43 3i8e s ASN 617 Cb -0.08 -1.04 1.36 0.00 0.41 0.00 0.00 41.25 41.89 3i8e s ASN 617 CO 0.13 0.24 1.97 0.16 -1.51 0.00 0.00 177.10 178.09 3i8e h ILE 618 N 3.51 0.72 0.00 0.60 3.07 -2.00 -3.29 117.51 120.11 3i8e h ILE 618 Ca -0.48 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 65.90 3i8e h ILE 618 Cb 1.17 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 3i8e h ILE 618 CO 0.54 0.01 -0.17 -0.62 -1.05 0.00 0.00 178.15 176.87 3i8e n GLU 619 N -4.38 0.09 0.29 0.16 -0.58 -1.26 -4.57 120.64 110.39 3i8e n GLU 619 Ca 0.12 0.03 -0.16 0.00 -0.42 0.00 0.00 57.16 56.73 3i8e n GLU 619 Cb 0.65 -0.48 -0.08 0.00 -0.57 0.00 0.00 31.44 30.96 3i8e n GLU 619 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3i8e h THR 620 N -0.17 0.44 -3.63 2.62 1.35 -2.00 -3.49 112.91 108.04 3i8e h THR 620 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3i8e h THR 620 Cb 0.17 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 3i8e h THR 620 CO 0.00 0.03 -0.17 0.61 -0.25 0.00 0.00 175.52 175.74 3i8e n GLY 621 N -1.10 -1.30 3.40 5.82 0.00 -1.24 -4.99 105.19 105.78 3i8e n GLY 621 Ca -0.12 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3i8e n GLY 621 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i8e s LEU 622 N -1.27 -0.15 0.99 0.99 0.05 -1.26 -4.63 118.68 113.41 3i8e s LEU 622 Ca 0.06 0.21 -0.16 0.00 0.05 0.00 0.00 54.13 54.29 3i8e s LEU 622 Cb -0.02 2.18 -0.03 0.00 -2.05 0.00 0.00 46.19 46.28 3i8e s LEU 622 CO 0.22 -0.72 -0.17 0.18 -0.55 0.00 0.00 176.35 175.31 3i8e n LEU 623 N 0.41 -2.46 0.00 1.48 4.77 -1.26 -4.40 117.00 115.54 3i8e n LEU 623 Ca -0.18 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3i8e n LEU 623 Cb 0.60 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3i8e n LEU 623 CO 0.19 -4.18 0.00 -1.20 -1.33 0.00 0.00 177.39 170.88 3i8e n SER 624 N 0.42 0.57 -4.57 -1.43 7.64 -1.16 -4.83 113.62 110.27 3i8e n SER 624 Ca 0.03 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.44 3i8e n SER 624 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 3i8e n SER 624 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3i8e n ASP 625 N 0.00 1.06 -3.96 6.43 9.92 -1.26 -4.71 116.55 124.03 3i8e n ASP 625 Ca 0.00 1.16 -0.31 0.00 -0.53 0.00 0.00 54.79 55.11 3i8e n ASP 625 Cb 0.00 -1.23 -0.15 0.00 -0.64 0.00 0.00 41.12 39.10 3i8e n ASP 625 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3i8e s ARG 626 N -1.04 1.65 0.01 -1.24 3.52 -1.26 -3.97 118.95 116.62 3i8e s ARG 626 Ca 0.65 -1.15 0.01 0.00 -0.13 0.00 0.00 55.73 55.11 3i8e s ARG 626 Cb -0.78 -2.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 3i8e s ARG 626 CO 0.57 -0.66 -0.05 0.15 -0.81 0.00 0.00 175.30 174.50 3i8e s LYS 627 N 1.31 0.38 -0.30 5.12 1.02 -1.26 -5.01 119.74 121.00 3i8e s LYS 627 Ca -0.04 -0.32 -0.10 0.00 0.02 0.00 0.00 55.97 55.54 3i8e s LYS 627 Cb -0.19 -0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 36.81 3i8e s LYS 627 CO -0.07 0.07 0.16 0.21 -0.92 0.00 0.00 175.35 174.80 3i8e s LYS 628 N -0.52 3.48 0.38 1.68 2.20 -1.26 -3.34 119.74 122.36 3i8e s LYS 628 Ca -0.02 -0.63 0.05 0.00 -0.36 0.00 0.00 55.97 55.01 3i8e s LYS 628 Cb -0.04 -3.59 0.05 0.00 -1.51 0.00 0.00 37.83 32.74 3i8e s LYS 628 CO -0.00 -0.36 0.39 1.33 -0.36 0.00 0.00 175.35 176.34 3i8e n VAL 629 N 5.01 0.00 -3.71 4.02 0.24 -1.03 -5.02 118.33 117.83 3i8e n VAL 629 Ca -0.14 -1.40 -0.15 0.00 -2.04 0.00 0.00 64.34 60.61 3i8e n VAL 629 Cb 0.50 -0.38 -0.15 0.00 -1.47 0.00 0.00 33.84 32.34 3i8e n VAL 629 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3i8e s THR 630 N -1.67 -0.14 0.00 3.34 -1.32 -1.26 -3.41 115.64 111.18 3i8e s THR 630 Ca 0.29 0.26 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 3i8e s THR 630 Cb -0.02 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 3i8e s THR 630 CO 0.19 0.11 0.00 0.18 -2.21 0.00 0.00 174.62 172.88 3i8e n LEU 631 N 4.69 0.00 0.00 9.08 4.77 -1.23 -4.97 117.00 129.35 3i8e n LEU 631 Ca -0.17 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.58 3i8e n LEU 631 Cb 0.51 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.80 3i8e n LEU 631 CO 0.12 0.00 0.37 0.61 -1.33 0.00 0.00 177.39 177.16 3i8e n GLY 632 N 5.00 -3.26 0.00 -0.72 0.00 -1.26 -4.89 105.19 100.07 3i8e n GLY 632 Ca 0.00 -1.39 0.10 0.00 0.00 0.00 0.00 46.02 44.74 3i8e n GLY 632 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i8e n THR 633 N -4.68 0.01 -3.71 2.61 -2.24 -1.26 -4.05 114.28 100.95 3i8e n THR 633 Ca 0.11 -0.09 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 3i8e n THR 633 Cb 0.45 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 3i8e n THR 633 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i8e s GLN 634 N -3.09 3.64 0.33 -0.78 -1.52 -1.26 -3.92 119.66 113.06 3i8e s GLN 634 Ca 0.05 0.03 -0.24 0.00 -1.95 0.00 0.00 55.36 53.26 3i8e s GLN 634 Cb 0.16 -3.11 -0.16 0.00 -0.22 0.00 0.00 33.01 29.68 3i8e s GLN 634 CO 0.87 0.66 0.29 -2.30 -0.25 0.00 0.00 175.29 174.56 3i8e n PRO 635 N 1.33 0.07 -4.01 2.91 -0.01 -1.19 -4.50 135.00 129.60 3i8e n PRO 635 Ca -0.12 0.03 -0.36 0.00 -0.01 0.00 0.00 63.50 63.04 3i8e n PRO 635 Cb 0.53 -1.06 -0.07 0.00 -0.01 0.00 0.00 33.50 32.89 3i8e n PRO 635 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 175.50 176.48 3i8e s THR 636 N -1.42 5.16 -0.20 3.45 2.01 -1.26 -4.56 115.64 118.83 3i8e s THR 636 Ca 0.61 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.58 3i8e s THR 636 Cb -0.74 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 3i8e s THR 636 CO 0.60 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.33 3i8e s VAL 637 N -1.05 3.33 -0.37 3.82 1.01 -0.82 -4.27 120.40 122.06 3i8e s VAL 637 Ca 0.17 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 3i8e s VAL 637 Cb -0.12 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.81 3i8e s VAL 637 CO 0.07 0.45 0.17 -0.76 0.00 0.00 0.00 175.10 175.02 3i8e s LEU 638 N 1.19 4.62 0.13 3.92 1.43 -1.26 -1.38 118.68 127.32 3i8e s LEU 638 Ca 0.02 -1.18 0.05 0.00 -1.03 0.00 0.00 54.13 51.99 3i8e s LEU 638 Cb -0.14 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3i8e s LEU 638 CO -0.02 -0.39 -0.11 -0.60 0.23 0.00 0.00 176.35 175.46 3i8e s ARG 639 N 1.45 1.00 0.02 1.70 6.06 -0.56 -4.97 118.95 123.65 3i8e s ARG 639 Ca 0.00 -1.32 -0.04 0.00 -2.50 0.00 0.00 55.73 51.87 3i8e s ARG 639 Cb -0.20 -0.68 -0.04 0.00 0.06 0.00 0.00 34.95 34.08 3i8e s ARG 639 CO 0.04 0.10 0.23 0.99 -2.50 0.00 0.00 175.30 174.17 3i8e s THR 640 N -2.77 5.36 0.36 4.11 2.01 -1.26 0.92 115.64 124.36 3i8e s THR 640 Ca 0.12 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.11 3i8e s THR 640 Cb -0.01 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 3i8e s THR 640 CO 0.01 0.29 0.05 0.72 -0.69 0.00 0.00 174.62 175.01 3i8e s PHE 641 N -1.36 2.04 -0.19 4.92 -0.12 0.35 -4.58 117.98 119.04 3i8e s PHE 641 Ca 0.29 -0.94 -0.06 0.00 -0.05 0.00 0.00 56.93 56.18 3i8e s PHE 641 Cb -0.13 -1.38 -0.03 0.00 -0.63 0.00 0.00 43.02 40.85 3i8e s PHE 641 CO 0.19 0.07 0.02 0.50 -0.05 0.00 0.00 175.22 175.95 3i8e s ARG 642 N -3.84 3.74 0.00 1.99 3.52 -1.26 -2.27 118.95 120.83 3i8e s ARG 642 Ca 0.33 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 3i8e s ARG 642 Cb 0.08 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 3i8e s ARG 642 CO 0.15 0.12 0.00 -1.13 -0.81 0.00 0.00 175.30 173.64 3i8e n SER 643 N 3.93 0.00 0.00 -2.12 3.41 -1.26 -4.96 113.62 112.62 3i8e n SER 643 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3i8e n SER 643 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3i8e n SER 643 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8e n LEU 644 N -0.36 0.00 -0.03 1.04 -0.00 -1.26 -5.02 117.00 111.37 3i8e n LEU 644 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 3i8e n LEU 644 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 3i8e n LEU 644 CO 0.00 0.00 0.55 0.77 -0.00 0.00 0.00 177.39 178.71 3i8e h SER 645 N 0.00 0.03 -1.39 1.45 4.64 -2.02 -3.39 113.55 112.87 3i8e h SER 645 Ca 0.00 -0.64 -0.54 0.00 -0.47 0.00 0.00 61.79 60.14 3i8e h SER 645 Cb 0.00 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.00 3i8e h SER 645 CO 0.00 0.66 1.28 0.42 -0.87 0.00 0.00 176.83 178.32 3i8e s THR 646 N -3.65 3.77 -0.22 2.95 -4.23 -1.26 -4.97 115.64 108.04 3i8e s THR 646 Ca -0.17 -0.38 -0.23 0.00 -1.18 0.00 0.00 61.69 59.74 3i8e s THR 646 Cb 0.00 -4.81 -0.02 0.00 1.34 0.00 0.00 72.50 69.02 3i8e s THR 646 CO 0.69 -1.72 0.74 0.42 -0.54 0.00 0.00 174.62 174.20 3i8e s THR 647 N 6.13 4.93 0.00 3.99 -4.23 -1.26 -4.49 115.64 120.70 3i8e s THR 647 Ca 0.48 1.39 0.00 0.00 -1.18 0.00 0.00 61.69 62.38 3i8e s THR 647 Cb -0.04 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.77 3i8e s THR 647 CO -0.01 0.02 0.00 0.59 -0.54 0.00 0.00 174.62 174.68 3i8e n ASN 648 N 5.51 1.69 -4.35 3.99 3.02 -0.96 -4.83 115.26 119.32 3i8e n ASN 648 Ca 0.02 -0.82 -0.33 0.00 -0.03 0.00 0.00 54.58 53.42 3i8e n ASN 648 Cb 0.49 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.51 3i8e n ASN 648 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i8e s VAL 649 N -0.35 2.95 -0.17 2.41 1.01 -0.95 0.13 120.40 125.42 3i8e s VAL 649 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 3i8e s VAL 649 Cb 0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3i8e s VAL 649 CO 0.00 0.53 0.12 0.12 0.00 0.00 0.00 175.10 175.87 3i8e s PHE 650 N 0.38 3.43 -0.22 5.22 5.36 0.26 0.20 117.98 132.62 3i8e s PHE 650 Ca -0.11 0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 56.19 3i8e s PHE 650 Cb -0.16 -2.08 0.02 0.00 -0.34 0.00 0.00 43.02 40.46 3i8e s PHE 650 CO 0.06 0.40 -0.11 0.00 -1.46 0.00 0.00 175.22 174.11 3i8e s ALA 651 N -0.05 2.59 0.05 11.12 0.00 0.28 -1.49 121.76 134.25 3i8e s ALA 651 Ca 0.09 -1.32 -0.11 0.00 0.00 0.00 0.00 51.96 50.62 3i8e s ALA 651 Cb -0.11 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.44 3i8e s ALA 651 CO 0.00 -0.58 0.39 0.00 0.00 0.00 0.00 175.76 175.58 3i8e n SER 653 N 1.25 2.55 -1.53 0.00 7.64 -1.10 -1.95 113.62 120.48 3i8e n SER 653 Ca -0.10 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.86 3i8e n SER 653 Cb 0.52 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 64.06 3i8e n SER 653 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3i8e n ASP 654 N 0.00 4.54 -3.10 6.43 5.75 -1.26 -3.64 116.55 125.28 3i8e n ASP 654 Ca 0.00 -2.48 0.03 0.00 -0.01 0.00 0.00 54.79 52.34 3i8e n ASP 654 Cb 0.00 -0.57 -0.00 0.00 -1.03 0.00 0.00 41.12 39.52 3i8e n ASP 654 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3i8e s ARG 655 N -1.95 0.44 0.50 0.11 3.52 -1.26 -4.85 118.95 115.46 3i8e s ARG 655 Ca 0.47 0.14 -0.23 0.00 -0.13 0.00 0.00 55.73 55.98 3i8e s ARG 655 Cb 0.31 0.12 -0.06 0.00 -1.56 0.00 0.00 34.95 33.76 3i8e s ARG 655 CO 0.21 -0.73 1.30 -2.14 -0.81 0.00 0.00 175.30 173.13 3i8e s PRO 656 N 2.47 3.45 -0.10 5.12 0.02 -1.26 -4.35 135.00 140.35 3i8e s PRO 656 Ca 0.17 2.10 -0.04 0.00 0.02 0.00 0.00 61.00 63.25 3i8e s PRO 656 Cb -0.04 -2.38 0.05 0.00 0.02 0.00 0.00 34.50 32.15 3i8e s PRO 656 CO -0.19 -0.90 0.21 0.99 -0.33 0.00 0.00 177.00 176.79 3i8e s THR 657 N -1.36 -0.24 -0.18 0.99 2.01 0.37 -1.78 115.64 115.44 3i8e s THR 657 Ca 0.67 0.26 -0.13 0.00 0.31 0.00 0.00 61.69 62.81 3i8e s THR 657 Cb -0.37 -0.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 3i8e s THR 657 CO 0.45 0.11 0.24 -0.69 -0.69 0.00 0.00 174.62 174.03 3i8e s VAL 658 N 1.97 5.34 -0.52 3.82 1.01 -0.78 0.99 120.40 132.23 3i8e s VAL 658 Ca -0.02 0.43 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 3i8e s VAL 658 Cb -0.12 -3.58 0.14 0.00 0.00 0.00 0.00 36.38 32.82 3i8e s VAL 658 CO -0.07 0.40 0.36 -0.63 0.00 0.00 0.00 175.10 175.15 3i8e s ILE 659 N 0.49 3.85 0.00 2.22 1.01 0.13 -2.40 121.20 126.51 3i8e s ILE 659 Ca 0.13 -2.27 0.00 0.00 0.00 0.00 0.00 60.65 58.52 3i8e s ILE 659 Cb -0.12 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3i8e s ILE 659 CO 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 174.94 174.16 3i8e n TYR 660 N 4.32 0.00 -3.48 3.97 9.36 -1.11 -2.24 117.16 127.98 3i8e n TYR 660 Ca 0.00 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.05 3i8e n TYR 660 Cb 0.40 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.99 3i8e n TYR 660 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 3i8e s SER 661 N -1.00 1.16 0.00 2.98 0.01 -1.26 -3.59 113.70 111.99 3i8e s SER 661 Ca 0.00 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.14 3i8e s SER 661 Cb 0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 3i8e s SER 661 CO 0.00 -0.32 0.00 -0.24 0.41 0.00 0.00 173.24 173.09 3i8e n SER 662 N 5.33 0.00 0.08 2.44 2.88 1.00 -4.75 113.62 120.59 3i8e n SER 662 Ca -0.05 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.35 3i8e n SER 662 Cb 0.50 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 3i8e n SER 662 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3i8e h ASN 663 N 0.00 0.49 0.00 -3.46 7.08 -1.98 -3.43 115.58 114.29 3i8e h ASN 663 Ca 0.00 -0.42 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 3i8e h ASN 663 Cb 0.00 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.09 3i8e h ASN 663 CO 0.00 1.24 0.00 1.57 -2.08 0.00 0.00 177.43 178.16 3i8e n HIS 664 N -3.70 0.00 -0.20 4.14 -0.00 -1.26 -4.95 115.22 109.25 3i8e n HIS 664 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 3i8e n HIS 664 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.86 3i8e n HIS 664 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i8e n LYS 665 N 0.00 0.07 -4.29 1.57 5.02 -1.26 -4.99 118.16 114.28 3i8e n LYS 665 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 3i8e n LYS 665 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 3i8e n LYS 665 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i8e s LEU 666 N 0.00 1.46 0.82 -0.35 1.43 -1.26 -0.00 118.68 120.78 3i8e s LEU 666 Ca 0.00 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 3i8e s LEU 666 Cb 0.00 -0.83 0.09 0.00 0.03 0.00 0.00 46.19 45.47 3i8e s LEU 666 CO 0.00 -0.03 1.19 0.52 0.23 0.00 0.00 176.35 178.26 3i8e n VAL 667 N 4.29 1.84 -3.12 -1.59 0.31 -1.24 -4.72 118.33 114.11 3i8e n VAL 667 Ca -0.19 -0.19 -0.21 0.00 -0.01 0.00 0.00 64.34 63.75 3i8e n VAL 667 Cb 0.51 -1.17 -0.03 0.00 -0.91 0.00 0.00 33.84 32.23 3i8e n VAL 667 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3i8e n PHE 668 N -3.38 1.33 -4.28 3.52 3.01 -1.26 -2.74 117.46 113.65 3i8e n PHE 668 Ca 0.13 -3.87 -0.33 0.00 1.01 0.00 0.00 57.45 54.39 3i8e n PHE 668 Cb 0.51 -0.44 -0.09 0.00 -0.01 0.00 0.00 39.48 39.45 3i8e n PHE 668 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3i8e s SER 669 N -2.73 5.23 0.94 4.37 0.01 -1.01 -4.97 113.70 115.54 3i8e s SER 669 Ca 0.43 0.06 -0.11 0.00 1.31 0.00 0.00 55.95 57.63 3i8e s SER 669 Cb 0.33 -1.42 0.11 0.00 0.21 0.00 0.00 66.02 65.25 3i8e s SER 669 CO -0.10 0.31 0.83 0.59 0.41 0.00 0.00 173.24 175.27 3i8e n ASN 670 N 1.57 -0.75 -3.93 2.44 3.02 -1.26 -1.86 115.26 114.49 3i8e n ASN 670 Ca -0.15 0.36 -0.25 0.00 -0.03 0.00 0.00 54.58 54.50 3i8e n ASN 670 Cb 0.53 -1.35 -0.17 0.00 -0.61 0.00 0.00 39.78 38.18 3i8e n ASN 670 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i8e s VAL 671 N -2.53 0.97 -0.80 2.41 1.01 -0.73 -2.49 120.40 118.24 3i8e s VAL 671 Ca 0.63 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 3i8e s VAL 671 Cb -0.22 -0.96 -0.12 0.00 0.00 0.00 0.00 36.38 35.08 3i8e s VAL 671 CO 0.62 0.34 1.97 0.59 0.00 0.00 0.00 175.10 178.62 3i8e n ASN 672 N 4.53 3.26 -3.92 3.32 3.02 0.86 -4.50 115.26 121.84 3i8e n ASN 672 Ca -0.16 -2.54 -0.15 0.00 -0.03 0.00 0.00 54.58 51.69 3i8e n ASN 672 Cb 0.51 -1.09 -0.14 0.00 -0.61 0.00 0.00 39.78 38.44 3i8e n ASN 672 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i8e s LEU 673 N 0.78 1.94 0.00 3.41 1.43 -1.26 -4.69 118.68 120.29 3i8e s LEU 673 Ca 0.50 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3i8e s LEU 673 Cb 0.13 -0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.16 3i8e s LEU 673 CO 0.07 0.03 0.92 1.17 0.23 0.00 0.00 176.35 178.77 3i8e n LYS 674 N 3.09 0.00 -3.72 1.70 4.81 -1.26 -4.67 118.16 118.11 3i8e n LYS 674 Ca -0.14 0.85 -0.13 0.00 -0.87 0.00 0.00 58.31 58.01 3i8e n LYS 674 Cb 0.58 -1.42 -0.10 0.00 0.02 0.00 0.00 35.03 34.11 3i8e n LYS 674 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3i8e s GLU 675 N -2.70 0.54 -0.04 1.64 2.12 -1.26 -4.75 118.70 114.26 3i8e s GLU 675 Ca 0.00 0.58 0.03 0.00 0.36 0.00 0.00 54.97 55.95 3i8e s GLU 675 Cb 0.00 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.65 3i8e s GLU 675 CO 0.00 -0.07 -0.13 0.08 -0.54 0.00 0.00 175.26 174.60 3i8e s VAL 676 N 0.14 1.09 -0.22 3.70 1.01 -1.24 -4.71 120.40 120.18 3i8e s VAL 676 Ca -0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 3i8e s VAL 676 Cb -0.03 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 3i8e s VAL 676 CO 0.01 0.33 -0.28 0.59 0.00 0.00 0.00 175.10 175.74 3i8e n ASN 677 N 3.25 1.54 -3.85 3.32 3.02 0.97 -2.72 115.26 120.80 3i8e n ASN 677 Ca -0.18 0.27 -0.12 0.00 -0.03 0.00 0.00 54.58 54.51 3i8e n ASN 677 Cb 0.54 -0.64 -0.12 0.00 -0.61 0.00 0.00 39.78 38.94 3i8e n ASN 677 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i8e s TYR 678 N -2.41 -0.08 0.04 3.10 1.51 -1.13 -4.72 117.35 113.66 3i8e s TYR 678 Ca -0.30 0.20 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 3i8e s TYR 678 Cb 0.12 0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 41.96 3i8e s TYR 678 CO 0.38 -0.11 -0.11 1.41 -1.11 0.00 0.00 175.55 176.01 3i8e s MET 679 N -0.26 0.74 -0.15 -0.62 -2.45 -1.26 -1.14 119.30 114.16 3i8e s MET 679 Ca -0.03 -0.71 -0.17 0.00 -1.25 0.00 0.00 55.69 53.53 3i8e s MET 679 Cb -0.02 -0.68 0.04 0.00 1.25 0.00 0.00 34.83 35.42 3i8e s MET 679 CO 0.00 0.16 0.46 0.00 1.05 0.00 0.00 175.02 176.69 3i8e s PRO 681 N -0.01 -1.06 0.00 0.00 0.02 -1.26 0.89 135.00 133.58 3i8e s PRO 681 Ca -0.02 0.10 0.00 0.00 0.02 0.00 0.00 61.00 61.09 3i8e s PRO 681 Cb -0.03 -1.60 0.00 0.00 0.02 0.00 0.00 34.50 32.89 3i8e s PRO 681 CO 0.02 -3.64 0.00 -0.11 -0.33 0.00 0.00 177.00 172.94 3i8e n LEU 682 N -4.74 0.00 0.00 -5.54 7.94 -0.84 -4.51 117.00 109.32 3i8e n LEU 682 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 3i8e n LEU 682 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 3i8e n LEU 682 CO 0.48 0.00 0.00 -3.20 -1.11 0.00 0.00 177.39 173.56 3i8e n ASN 683 N -0.29 0.00 -4.68 1.96 2.85 -1.26 -4.40 115.26 109.45 3i8e n ASN 683 Ca 0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 3i8e n ASN 683 Cb 0.00 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.18 3i8e n ASN 683 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 3i8e n SER 684 N 0.00 0.54 0.00 1.20 2.88 -0.51 -3.91 113.62 113.83 3i8e n SER 684 Ca 0.00 0.47 0.13 0.00 -1.33 0.00 0.00 58.87 58.14 3i8e n SER 684 Cb 0.00 -1.49 0.75 0.00 -0.75 0.00 0.00 64.21 62.72 3i8e n SER 684 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3i8e n ASP 685 N -3.98 0.00 -0.01 -3.46 5.75 -1.26 -2.01 116.55 111.57 3i8e n ASP 685 Ca 0.12 -0.80 0.01 0.00 -0.01 0.00 0.00 54.79 54.11 3i8e n ASP 685 Cb 0.52 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.56 3i8e n ASP 685 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i8e n GLY 686 N 0.60 -0.30 2.49 6.12 0.00 -1.23 -4.90 105.19 107.95 3i8e n GLY 686 Ca 0.19 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 3i8e n GLY 686 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8e s TYR 687 N -2.33 0.62 0.00 1.61 2.02 -1.01 -4.82 117.35 113.45 3i8e s TYR 687 Ca -0.03 -1.75 0.00 0.00 -0.37 0.00 0.00 57.07 54.92 3i8e s TYR 687 Cb 0.03 -0.79 0.00 0.00 -0.40 0.00 0.00 41.96 40.80 3i8e s TYR 687 CO 0.27 -0.87 0.00 -2.30 -1.57 0.00 0.00 175.55 171.08 3i8e n PRO 688 N 3.55 -0.08 0.00 -1.71 -0.02 -0.85 -1.42 135.00 134.47 3i8e n PRO 688 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3i8e n PRO 688 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 3i8e n PRO 688 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i8e n ASP 689 N -2.25 0.00 -3.98 2.55 2.03 -1.26 -4.51 116.55 109.13 3i8e n ASP 689 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 3i8e n ASP 689 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 3i8e n ASP 689 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3i8e s SER 690 N 0.00 0.09 -0.11 1.67 1.04 -1.26 -4.55 113.70 110.58 3i8e s SER 690 Ca 0.00 -1.13 -0.00 0.00 0.48 0.00 0.00 55.95 55.30 3i8e s SER 690 Cb 0.00 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 3i8e s SER 690 CO 0.00 -1.07 -0.10 -0.76 0.98 0.00 0.00 173.24 172.29 3i8e s LEU 691 N -3.08 2.91 -0.20 2.42 1.43 -1.16 -1.98 118.68 119.02 3i8e s LEU 691 Ca 0.28 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 3i8e s LEU 691 Cb 0.02 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3i8e s LEU 691 CO 0.11 0.22 0.37 0.00 0.23 0.00 0.00 176.35 177.28 3i8e s ALA 692 N 0.01 3.56 -0.10 4.21 0.00 0.26 -2.15 121.76 127.54 3i8e s ALA 692 Ca -0.02 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.40 3i8e s ALA 692 Cb -0.14 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.40 3i8e s ALA 692 CO 0.04 -0.27 -0.19 -0.51 0.00 0.00 0.00 175.76 174.82 3i8e s LEU 693 N 1.24 1.93 0.14 0.00 1.02 0.17 -0.91 118.68 122.27 3i8e s LEU 693 Ca 0.18 -0.49 0.07 0.00 0.02 0.00 0.00 54.13 53.91 3i8e s LEU 693 Cb -0.15 -1.23 -0.04 0.00 0.02 0.00 0.00 46.19 44.79 3i8e s LEU 693 CO 0.07 0.09 -0.04 0.00 0.02 0.00 0.00 176.35 176.49 3i8e s ALA 694 N 0.63 3.11 0.00 4.21 0.00 -0.29 -1.15 121.76 128.27 3i8e s ALA 694 Ca -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.53 3i8e s ALA 694 Cb -0.16 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 21.99 3i8e s ALA 694 CO 0.04 0.57 0.00 0.27 0.00 0.00 0.00 175.76 176.64 3i8e n ASN 695 N 0.28 0.00 -0.04 0.00 6.94 -0.81 -0.02 115.26 121.61 3i8e n ASN 695 Ca -0.11 -0.83 -0.01 0.00 -0.02 0.00 0.00 54.58 53.61 3i8e n ASN 695 Cb 0.54 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.95 3i8e n ASN 695 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3i8e n ASN 696 N -2.05 -0.11 -2.80 0.53 2.85 -1.26 -3.87 115.26 108.55 3i8e n ASN 696 Ca 0.00 0.21 -0.10 0.00 -0.11 0.00 0.00 54.58 54.58 3i8e n ASN 696 Cb 0.00 -0.04 0.07 0.00 1.24 0.00 0.00 39.78 41.06 3i8e n ASN 696 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3i8e n SER 697 N -3.71 -1.68 -3.65 1.20 3.41 -1.26 -3.58 113.62 104.35 3i8e n SER 697 Ca 0.00 -3.40 -0.03 0.00 -0.26 0.00 0.00 58.87 55.18 3i8e n SER 697 Cb 0.03 1.35 -0.07 0.00 -0.26 0.00 0.00 64.21 65.25 3i8e n SER 697 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3i8e s THR 698 N -0.26 0.00 0.09 6.66 2.01 -1.25 -3.87 115.64 119.02 3i8e s THR 698 Ca 0.25 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.30 3i8e s THR 698 Cb 0.32 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 3i8e s THR 698 CO -0.06 0.00 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.64 3i8e s LEU 699 N 0.34 3.43 -0.06 4.42 2.96 1.00 -1.92 118.68 128.85 3i8e s LEU 699 Ca 0.03 -0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 53.59 3i8e s LEU 699 Cb -0.04 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.52 3i8e s LEU 699 CO -0.13 0.18 0.37 0.42 -1.32 0.00 0.00 176.35 175.88 3i8e s THR 700 N -1.29 0.04 0.03 3.68 -4.23 -0.30 -2.77 115.64 110.80 3i8e s THR 700 Ca 0.25 -0.29 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 3i8e s THR 700 Cb -0.12 -0.64 -0.02 0.00 1.34 0.00 0.00 72.50 73.07 3i8e s THR 700 CO 0.17 -0.16 -0.13 0.27 -0.54 0.00 0.00 174.62 174.24 3i8e s ILE 701 N -0.88 0.99 0.00 2.99 -0.00 -1.25 0.45 121.20 123.50 3i8e s ILE 701 Ca -0.09 -0.89 0.00 0.00 -0.00 0.00 0.00 60.65 59.67 3i8e s ILE 701 Cb -0.04 -0.90 0.00 0.00 -0.00 0.00 0.00 42.46 41.52 3i8e s ILE 701 CO 0.04 0.02 0.00 0.61 -0.00 0.00 0.00 174.94 175.61 3i8e n GLY 702 N 2.06 3.00 3.54 6.27 0.00 -0.92 -1.43 105.19 117.72 3i8e n GLY 702 Ca -0.17 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 3i8e n GLY 702 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i8e s THR 703 N -2.00 2.06 0.12 2.61 -4.23 -0.78 -2.97 115.64 110.45 3i8e s THR 703 Ca 0.00 0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.59 3i8e s THR 703 Cb 0.00 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 3i8e s THR 703 CO 0.00 -0.03 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.39 3i8e s ILE 704 N -2.53 3.67 0.00 2.99 -1.09 -1.26 -0.35 121.20 122.63 3i8e s ILE 704 Ca 0.68 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 3i8e s ILE 704 Cb -0.24 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 3i8e s ILE 704 CO 0.63 0.04 0.00 0.47 -1.23 0.00 0.00 174.94 174.84 3i8e n ASP 705 N 0.38 0.00 -0.12 3.58 8.00 -1.17 -4.94 116.55 122.28 3i8e n ASP 705 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 3i8e n ASP 705 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3i8e n ASP 705 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i8e n GLU 706 N 0.00 3.20 -2.75 -1.24 4.07 -1.26 -5.02 120.64 117.64 3i8e n GLU 706 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 3i8e n GLU 706 Cb 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.41 3i8e n GLU 706 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3i8e n ILE 707 N 0.00 0.00 -4.17 6.31 5.41 -1.26 -5.01 119.36 120.64 3i8e n ILE 707 Ca 0.00 -1.21 -0.08 0.00 1.00 0.00 0.00 62.75 62.46 3i8e n ILE 707 Cb 0.00 1.24 -0.02 0.00 -0.71 0.00 0.00 39.64 40.15 3i8e n ILE 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i8e n GLN 708 N 2.26 1.07 -0.04 0.38 6.02 -1.26 -4.97 117.38 120.84 3i8e n GLN 708 Ca 0.13 -1.04 -0.14 0.00 -0.01 0.00 0.00 57.00 55.93 3i8e n GLN 708 Cb 0.60 0.48 -0.12 0.00 1.02 0.00 0.00 30.24 32.22 3i8e n GLN 708 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3i8e h LYS 709 N 0.00 0.08 -5.04 -1.09 3.64 -1.94 -3.42 116.57 108.80 3i8e h LYS 709 Ca -0.10 -0.09 -0.66 0.00 -1.27 0.00 0.00 60.65 58.52 3i8e h LYS 709 Cb 0.36 0.03 -0.32 0.00 -0.41 0.00 0.00 32.23 31.90 3i8e h LYS 709 CO 0.17 0.88 -0.80 -0.51 -2.27 0.00 0.00 179.45 176.92 3i8e s LEU 710 N -8.51 2.49 0.18 5.20 1.43 -1.26 0.13 118.68 118.34 3i8e s LEU 710 Ca -0.17 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.17 3i8e s LEU 710 Cb -0.01 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.54 3i8e s LEU 710 CO 0.71 -0.00 0.75 -2.28 0.23 0.00 0.00 176.35 175.76 3i8e s HIS 711 N 1.34 3.81 -0.14 0.29 5.65 0.14 -4.89 115.29 121.49 3i8e s HIS 711 Ca 0.05 1.53 -0.02 0.00 0.25 0.00 0.00 55.06 56.87 3i8e s HIS 711 Cb -0.14 -2.70 0.04 0.00 -1.18 0.00 0.00 32.58 28.60 3i8e s HIS 711 CO -0.08 0.45 0.00 0.42 -0.65 0.00 0.00 174.74 174.89 3i8e s ILE 712 N -1.28 0.56 -0.06 0.89 1.01 -1.26 -0.70 121.20 120.37 3i8e s ILE 712 Ca 0.38 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.55 3i8e s ILE 712 Cb -0.21 -0.86 -0.16 0.00 0.01 0.00 0.00 42.46 41.24 3i8e s ILE 712 CO 0.24 0.06 0.82 -0.09 0.00 0.00 0.00 174.94 175.96 3i8e h ARG 713 N 8.26 -0.16 -4.42 2.79 2.43 -0.84 -3.47 114.38 118.97 3i8e h ARG 713 Ca -0.19 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3i8e h ARG 713 Cb 1.12 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 3i8e h ARG 713 CO 0.32 0.30 -0.82 2.41 -1.51 0.00 0.00 179.97 180.67 3i8e n THR 714 N -4.88 -9.19 -3.64 0.20 -1.04 -1.26 -4.90 114.28 89.58 3i8e n THR 714 Ca -0.07 1.49 -0.39 0.00 -2.04 0.00 0.00 64.05 63.04 3i8e n THR 714 Cb 0.27 -5.87 -0.09 0.00 -1.82 0.00 0.00 70.33 62.81 3i8e n THR 714 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i8e s VAL 715 N -0.89 3.89 0.14 12.58 1.01 -0.73 -5.01 120.40 131.39 3i8e s VAL 715 Ca -0.07 -1.99 -0.33 0.00 0.00 0.00 0.00 61.98 59.59 3i8e s VAL 715 Cb 0.00 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.67 3i8e s VAL 715 CO 0.54 -0.76 1.72 -0.81 0.00 0.00 0.00 175.10 175.78 3i8e n PRO 716 N 4.66 2.50 -0.04 2.72 -0.04 -1.26 -2.39 135.00 141.15 3i8e n PRO 716 Ca -0.04 0.91 -0.01 0.00 -0.04 0.00 0.00 63.50 64.32 3i8e n PRO 716 Cb 0.41 -2.74 -0.09 0.00 -0.04 0.00 0.00 33.50 31.04 3i8e n PRO 716 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i8e n LEU 717 N 4.46 0.00 -0.03 1.53 4.77 0.20 -4.95 117.00 122.98 3i8e n LEU 717 Ca 0.17 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3i8e n LEU 717 Cb 0.33 0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3i8e n LEU 717 CO 0.65 0.17 -0.00 -1.22 -1.33 0.00 0.00 177.39 175.65 3i8e n TYR 718 N -2.22 0.00 -3.84 -1.77 4.02 -1.00 -2.93 117.16 109.43 3i8e n TYR 718 Ca -0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.70 3i8e n TYR 718 Cb 0.65 -1.01 -0.01 0.00 -0.02 0.00 0.00 39.34 38.95 3i8e n TYR 718 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 3i8e s GLU 719 N -1.05 1.74 -0.37 -0.72 -1.05 -1.01 -4.27 118.70 111.98 3i8e s GLU 719 Ca 0.00 -0.98 -0.19 0.00 -0.15 0.00 0.00 54.97 53.65 3i8e s GLU 719 Cb 0.00 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 3i8e s GLU 719 CO 0.00 -0.80 0.54 -1.54 0.95 0.00 0.00 175.26 174.41 3i8e s SER 720 N -2.95 6.32 0.25 0.83 1.04 -1.17 -3.80 113.70 114.22 3i8e s SER 720 Ca 0.12 -0.10 -0.20 0.00 0.48 0.00 0.00 55.95 56.25 3i8e s SER 720 Cb -0.05 -2.28 -0.09 0.00 0.10 0.00 0.00 66.02 63.71 3i8e s SER 720 CO 0.07 -0.54 0.76 -2.16 0.98 0.00 0.00 173.24 172.35 3i8e s PRO 721 N 2.46 4.28 -0.10 4.02 0.04 -1.26 -1.18 135.00 143.26 3i8e s PRO 721 Ca 0.19 0.92 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 3i8e s PRO 721 Cb -0.15 -2.81 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 3i8e s PRO 721 CO 0.14 0.35 -0.11 0.54 0.04 0.00 0.00 177.00 177.96 3i8e n ARG 722 N 0.58 0.22 -4.11 4.56 5.12 0.38 -4.82 116.66 118.58 3i8e n ARG 722 Ca -0.01 0.08 -0.10 0.00 -1.93 0.00 0.00 57.85 55.88 3i8e n ARG 722 Cb 0.51 -0.99 -0.09 0.00 -1.16 0.00 0.00 32.46 30.73 3i8e n ARG 722 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i8e s LYS 723 N -2.18 1.18 0.01 5.56 -0.14 -1.21 -4.18 119.74 118.78 3i8e s LYS 723 Ca -0.13 -1.44 -0.10 0.00 -1.36 0.00 0.00 55.97 52.94 3i8e s LYS 723 Cb 0.04 0.32 0.01 0.00 -1.68 0.00 0.00 37.83 36.52 3i8e s LYS 723 CO 0.19 -0.40 0.19 -1.50 -0.76 0.00 0.00 175.35 173.07 3i8e s ILE 724 N -4.07 0.08 -0.17 2.17 2.07 -1.26 -2.15 121.20 117.87 3i8e s ILE 724 Ca 0.29 -0.68 -0.07 0.00 -1.41 0.00 0.00 60.65 58.78 3i8e s ILE 724 Cb 0.05 -0.58 0.07 0.00 0.13 0.00 0.00 42.46 42.14 3i8e s ILE 724 CO 0.07 -0.37 0.38 0.00 -1.91 0.00 0.00 174.94 173.11 3i8e s TYR 726 N 2.05 3.21 -0.44 0.00 5.04 -1.26 -0.68 117.35 125.26 3i8e s TYR 726 Ca -0.05 0.50 -0.14 0.00 -2.44 0.00 0.00 57.07 54.95 3i8e s TYR 726 Cb -0.11 -2.97 0.06 0.00 0.35 0.00 0.00 41.96 39.29 3i8e s TYR 726 CO -0.12 -0.48 0.34 -1.14 -1.34 0.00 0.00 175.55 172.80 3i8e s GLN 727 N 2.56 2.90 0.03 4.97 0.74 -1.05 -4.87 119.66 124.95 3i8e s GLN 727 Ca 0.24 -1.27 -0.19 0.00 0.05 0.00 0.00 55.36 54.19 3i8e s GLN 727 Cb -0.15 -4.01 -0.21 0.00 1.10 0.00 0.00 33.01 29.74 3i8e s GLN 727 CO 0.12 -0.93 1.17 1.49 -0.55 0.00 0.00 175.29 176.59 3i8e h GLU 728 N 8.65 0.47 0.00 1.67 4.22 -1.96 -0.30 114.58 127.33 3i8e h GLU 728 Ca -0.27 -0.45 0.00 0.00 0.08 0.00 0.00 59.36 58.72 3i8e h GLU 728 Cb 1.11 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3i8e h GLU 728 CO 0.81 1.09 0.00 1.33 -2.18 0.00 0.00 179.01 180.06 3i8e n VAL 729 N -4.21 0.85 -0.03 0.32 0.24 -1.26 -2.14 118.33 112.10 3i8e n VAL 729 Ca -0.09 0.32 0.05 0.00 -2.04 0.00 0.00 64.34 62.57 3i8e n VAL 729 Cb 0.65 -1.28 -0.14 0.00 -1.47 0.00 0.00 33.84 31.61 3i8e n VAL 729 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3i8e n SER 730 N -2.29 0.93 -1.84 -1.34 7.64 -1.20 -5.04 113.62 110.47 3i8e n SER 730 Ca 0.01 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.83 3i8e n SER 730 Cb 0.20 1.58 0.03 0.00 -1.01 0.00 0.00 64.21 65.01 3i8e n SER 730 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8e n GLN 731 N -2.25 -2.39 -3.60 1.43 1.13 -0.16 -5.05 117.38 106.51 3i8e n GLN 731 Ca -0.09 0.30 -0.09 0.00 -1.94 0.00 0.00 57.00 55.17 3i8e n GLN 731 Cb 0.61 -3.70 -0.05 0.00 0.11 0.00 0.00 30.24 27.21 3i8e n GLN 731 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8e s PHE 733 N -0.79 3.81 -0.07 0.00 0.40 0.66 -2.52 117.98 119.48 3i8e s PHE 733 Ca 0.00 1.40 -0.18 0.00 -0.60 0.00 0.00 56.93 57.55 3i8e s PHE 733 Cb -0.02 -2.64 -0.05 0.00 0.51 0.00 0.00 43.02 40.83 3i8e s PHE 733 CO -0.01 0.49 0.50 0.20 0.70 0.00 0.00 175.22 177.10 3i8e s GLY 734 N -0.84 2.47 -0.07 4.36 0.00 0.14 -0.53 107.32 112.86 3i8e s GLY 734 Ca 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.91 3i8e s GLY 734 CO 0.21 0.67 0.00 0.14 0.00 0.00 0.00 173.10 174.13 3i8e s VAL 735 N 0.13 0.36 -0.24 1.40 1.01 0.73 -1.52 120.40 122.28 3i8e s VAL 735 Ca 0.27 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.11 3i8e s VAL 735 Cb -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.70 3i8e s VAL 735 CO 0.13 0.26 0.92 -0.76 0.00 0.00 0.00 175.10 175.65 3i8e s LEU 736 N 1.96 4.09 0.44 3.92 1.43 -0.91 0.21 118.68 129.82 3i8e s LEU 736 Ca 0.05 1.18 0.04 0.00 -1.03 0.00 0.00 54.13 54.37 3i8e s LEU 736 Cb -0.12 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3i8e s LEU 736 CO -0.05 -0.59 0.03 -0.94 0.23 0.00 0.00 176.35 175.03 3i8e s SER 737 N 1.28 3.68 -0.42 2.29 1.04 -0.04 0.14 113.70 121.67 3i8e s SER 737 Ca 0.39 -1.52 0.06 0.00 0.48 0.00 0.00 55.95 55.36 3i8e s SER 737 Cb -0.15 0.11 0.17 0.00 0.10 0.00 0.00 66.02 66.25 3i8e s SER 737 CO 0.07 -0.68 0.55 -0.55 0.98 0.00 0.00 173.24 173.60 3i8e s SER 738 N -3.74 -0.43 0.43 7.02 0.15 -0.32 -1.99 113.70 114.82 3i8e s SER 738 Ca 0.22 -1.46 -0.16 0.00 0.70 0.00 0.00 55.95 55.25 3i8e s SER 738 Cb 0.06 1.31 -0.09 0.00 -1.71 0.00 0.00 66.02 65.59 3i8e s SER 738 CO 0.11 -0.17 0.89 0.00 1.20 0.00 0.00 173.24 175.27 3i8e s ARG 739 N 1.33 4.01 -0.00 5.44 1.70 -0.17 -3.52 118.95 127.73 3i8e s ARG 739 Ca 0.21 0.86 0.03 0.00 -0.47 0.00 0.00 55.73 56.36 3i8e s ARG 739 Cb -0.06 -2.25 -0.03 0.00 -0.57 0.00 0.00 34.95 32.04 3i8e s ARG 739 CO -0.06 -0.08 -0.09 0.42 -1.08 0.00 0.00 175.30 174.41 3i8e s ILE 740 N -2.33 3.49 0.33 4.99 1.01 -1.26 0.82 121.20 128.25 3i8e s ILE 740 Ca 0.57 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3i8e s ILE 740 Cb -0.10 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 3i8e s ILE 740 CO 0.24 0.43 0.10 -1.61 0.00 0.00 0.00 174.94 174.09 3i8e s GLU 741 N -1.29 1.68 0.11 2.79 2.02 -1.15 -4.31 118.70 118.55 3i8e s GLU 741 Ca 0.16 -1.96 0.04 0.00 0.02 0.00 0.00 54.97 53.23 3i8e s GLU 741 Cb -0.11 -0.59 -0.04 0.00 0.10 0.00 0.00 34.13 33.49 3i8e s GLU 741 CO 0.06 -0.32 0.09 0.14 0.02 0.00 0.00 175.26 175.25 3i8e s VAL 742 N -3.40 4.44 0.85 2.63 -7.23 -1.26 -2.91 120.40 113.51 3i8e s VAL 742 Ca 0.33 -0.93 -0.12 0.00 -1.81 0.00 0.00 61.98 59.45 3i8e s VAL 742 Cb 0.06 -3.18 0.11 0.00 0.56 0.00 0.00 36.38 33.92 3i8e s VAL 742 CO 0.15 0.03 1.18 0.00 -0.31 0.00 0.00 175.10 176.16 3i8e s GLN 743 N -2.66 1.41 0.15 4.82 -2.07 0.16 -3.13 119.66 118.34 3i8e s GLN 743 Ca 0.29 1.68 0.06 0.00 -1.82 0.00 0.00 55.36 55.57 3i8e s GLN 743 Cb -0.11 -1.76 -0.04 0.00 -1.09 0.00 0.00 33.01 30.01 3i8e s GLN 743 CO 0.22 -2.37 -0.13 0.34 -1.32 0.00 0.00 175.29 172.03 3i8e s ASP 744 N -2.35 2.10 0.58 12.60 -1.08 -0.90 -4.82 116.67 122.79 3i8e s ASP 744 Ca 0.71 -0.91 0.38 0.00 -0.52 0.00 0.00 52.55 52.20 3i8e s ASP 744 Cb -0.26 -0.07 1.91 0.00 -1.46 0.00 0.00 42.92 43.04 3i8e s ASP 744 CO 0.53 -0.20 2.15 0.71 0.52 0.00 0.00 175.17 178.89 3i8e h THR 745 N 3.09 0.00 0.00 1.71 1.35 -1.96 -1.29 112.91 115.81 3i8e h THR 745 Ca -0.39 -0.17 -0.30 0.00 -0.55 0.00 0.00 66.41 65.00 3i8e h THR 745 Cb 1.20 1.10 -0.05 0.00 -1.73 0.00 0.00 68.15 68.67 3i8e h THR 745 CO 0.57 0.00 -1.87 -1.54 -0.25 0.00 0.00 175.52 172.42 3i8e n SER 746 N -2.95 0.64 0.00 5.36 3.41 -1.26 -5.00 113.62 113.82 3i8e n SER 746 Ca -0.01 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 3i8e n SER 746 Cb 0.15 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3i8e n SER 746 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8e n GLY 747 N 1.60 1.15 0.00 5.00 0.00 -0.49 -5.12 105.19 107.33 3i8e n GLY 747 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3i8e n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8e n GLY 748 N 0.00 1.17 3.20 -0.02 0.00 -1.26 -4.61 105.19 103.67 3i8e n GLY 748 Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 3i8e n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i8e s THR 749 N 1.96 0.05 -0.02 2.61 -4.23 -1.26 -2.12 115.64 112.63 3i8e s THR 749 Ca 0.00 -0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 3i8e s THR 749 Cb 0.00 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 3i8e s THR 749 CO 0.00 -0.24 -0.07 0.35 -0.54 0.00 0.00 174.62 174.11 3i8e n THR 750 N 1.58 0.62 0.00 3.99 -2.24 -1.18 -4.98 114.28 112.07 3i8e n THR 750 Ca -0.20 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3i8e n THR 750 Cb 0.56 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 3i8e n THR 750 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8e n ALA 751 N -3.39 0.00 0.00 6.98 0.00 -1.26 -4.97 120.51 117.86 3i8e n ALA 751 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i8e n ALA 751 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3i8e n ALA 751 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8e n LEU 752 N 0.00 1.01 -3.93 0.00 4.77 -1.26 -4.28 117.00 113.31 3i8e n LEU 752 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3i8e n LEU 752 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3i8e n LEU 752 CO 0.00 0.17 0.34 0.00 -1.33 0.00 0.00 177.39 176.57 3i8e s ARG 753 N -1.61 1.90 -0.66 3.23 1.70 -1.26 -5.11 118.95 117.14 3i8e s ARG 753 Ca 0.00 -1.37 -0.20 0.00 -0.47 0.00 0.00 55.73 53.69 3i8e s ARG 753 Cb 0.00 0.54 0.10 0.00 -0.57 0.00 0.00 34.95 35.02 3i8e s ARG 753 CO 0.00 -0.84 0.85 -1.25 -1.08 0.00 0.00 175.30 172.98 3i8e s PRO 754 N -3.23 3.14 0.00 3.89 0.04 -1.26 -5.02 135.00 132.56 3i8e s PRO 754 Ca 0.20 -1.20 0.00 0.00 0.04 0.00 0.00 61.00 60.03 3i8e s PRO 754 Cb -0.03 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.19 3i8e s PRO 754 CO 0.12 -1.67 0.00 0.43 0.04 0.00 0.00 177.00 175.92 3i8e n SER 755 N 6.84 0.00 0.04 6.66 7.64 -1.26 -4.85 113.62 128.69 3i8e n SER 755 Ca -0.03 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.88 3i8e n SER 755 Cb 0.44 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 3i8e n SER 755 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8e n ALA 756 N -3.00 2.16 0.24 -0.43 0.00 -1.15 -3.25 120.51 115.08 3i8e n ALA 756 Ca 0.00 -0.50 0.13 0.00 0.00 0.00 0.00 53.44 53.07 3i8e n ALA 756 Cb 0.00 -0.93 0.41 0.00 0.00 0.00 0.00 19.45 18.93 3i8e n ALA 756 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i8e h SER 757 N 0.00 0.00 0.00 0.00 0.02 -1.94 -3.03 113.55 108.59 3i8e h SER 757 Ca -0.12 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.45 3i8e h SER 757 Cb 1.40 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.87 3i8e h SER 757 CO 0.03 0.09 -2.41 0.35 -1.14 0.00 0.00 176.83 173.75 3i8e n THR 758 N -3.17 1.42 0.08 -2.27 -2.24 -1.26 -4.23 114.28 102.61 3i8e n THR 758 Ca 0.02 -0.73 0.06 0.00 -2.27 0.00 0.00 64.05 61.13 3i8e n THR 758 Cb 0.44 -0.87 0.24 0.00 -2.10 0.00 0.00 70.33 68.04 3i8e n THR 758 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8e n GLN 759 N -2.96 2.91 -1.75 -0.78 1.13 -1.20 -4.95 117.38 109.78 3i8e n GLN 759 Ca -0.38 -1.90 -0.42 0.00 -1.94 0.00 0.00 57.00 52.36 3i8e n GLN 759 Cb 1.08 -1.72 -0.01 0.00 0.11 0.00 0.00 30.24 29.70 3i8e n GLN 759 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8e n ALA 760 N 0.62 2.28 0.30 -1.58 0.00 -1.14 -4.88 120.51 116.11 3i8e n ALA 760 Ca 0.17 0.36 0.18 0.00 0.00 0.00 0.00 53.44 54.15 3i8e n ALA 760 Cb 0.66 -2.41 0.89 0.00 0.00 0.00 0.00 19.45 18.59 3i8e n ALA 760 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i8e h LEU 761 N 3.66 0.00 -7.00 0.00 3.38 -1.55 -3.43 115.31 110.38 3i8e h LEU 761 Ca -0.49 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.54 3i8e h LEU 761 Cb 1.24 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.81 3i8e h LEU 761 CO 0.70 0.00 0.44 -0.94 0.09 0.00 0.00 178.44 178.73 3i8e s SER 762 N -4.97 -0.43 0.05 -0.43 1.04 -1.25 -5.03 113.70 102.67 3i8e s SER 762 Ca -0.02 0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.65 3i8e s SER 762 Cb 0.10 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 3i8e s SER 762 CO 0.40 -0.55 0.02 -0.94 0.98 0.00 0.00 173.24 173.16 3i8e s SER 763 N -1.79 0.36 -0.02 7.02 1.04 -1.26 -2.47 113.70 116.58 3i8e s SER 763 Ca -0.01 -0.83 -0.08 0.00 0.48 0.00 0.00 55.95 55.51 3i8e s SER 763 Cb -0.01 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.34 3i8e s SER 763 CO -0.02 -0.58 0.18 -0.94 0.98 0.00 0.00 173.24 172.85 3i8e s SER 764 N -2.67 -0.06 0.43 7.02 1.04 -1.12 -4.97 113.70 113.36 3i8e s SER 764 Ca 0.03 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.53 3i8e s SER 764 Cb 0.05 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 3i8e s SER 764 CO -0.09 -0.30 0.34 0.54 0.98 0.00 0.00 173.24 174.72 3i8e s VAL 765 N -0.97 2.47 0.25 5.02 0.11 -1.26 0.12 120.40 126.14 3i8e s VAL 765 Ca -0.11 -1.44 -0.30 0.00 -2.93 0.00 0.00 61.98 57.21 3i8e s VAL 765 Cb -0.06 -2.90 -0.10 0.00 -1.53 0.00 0.00 36.38 31.79 3i8e s VAL 765 CO 0.02 0.00 1.32 -0.55 -3.33 0.00 0.00 175.10 172.55 3i8e s SER 766 N -4.10 6.84 -0.01 3.54 0.15 0.12 -4.75 113.70 115.49 3i8e s SER 766 Ca 0.45 2.53 0.09 0.00 0.70 0.00 0.00 55.95 59.72 3i8e s SER 766 Cb -0.01 -2.63 -0.13 0.00 -1.71 0.00 0.00 66.02 61.54 3i8e s SER 766 CO 0.26 -0.54 0.25 -0.24 1.20 0.00 0.00 173.24 174.18 3i8e n SER 767 N 1.92 2.13 -4.74 5.45 2.88 -1.26 -4.94 113.62 115.07 3i8e n SER 767 Ca 0.04 -0.23 -0.31 0.00 -1.33 0.00 0.00 58.87 57.04 3i8e n SER 767 Cb 0.42 1.28 0.11 0.00 -0.75 0.00 0.00 64.21 65.28 3i8e n SER 767 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3i8e s SER 768 N -2.65 4.01 -0.20 -3.46 0.15 -1.26 -5.01 113.70 105.28 3i8e s SER 768 Ca -0.01 1.91 0.15 0.00 0.70 0.00 0.00 55.95 58.70 3i8e s SER 768 Cb 0.06 -2.52 0.45 0.00 -1.71 0.00 0.00 66.02 62.29 3i8e s SER 768 CO 0.37 -2.36 1.18 0.29 1.20 0.00 0.00 173.24 173.92 3i8e n LYS 769 N -3.74 1.85 0.23 5.44 4.76 -1.26 -4.86 118.16 120.57 3i8e n LYS 769 Ca 0.10 -3.31 0.14 0.00 -2.87 0.00 0.00 58.31 52.37 3i8e n LYS 769 Cb 0.53 -1.47 0.42 0.00 -1.84 0.00 0.00 35.03 32.67 3i8e n LYS 769 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3i8e h LEU 770 N 1.58 0.00 -8.83 -0.35 3.38 -2.05 -3.45 115.31 105.58 3i8e h LEU 770 Ca 0.03 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.40 3i8e h LEU 770 Cb 1.38 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.92 3i8e h LEU 770 CO 0.26 0.00 -0.83 -0.36 0.09 0.00 0.00 178.44 177.60 3i8e s PHE 771 N -3.39 2.02 -0.25 1.13 0.40 -1.26 -5.05 117.98 111.58 3i8e s PHE 771 Ca 0.05 -0.41 0.11 0.00 -0.60 0.00 0.00 56.93 56.08 3i8e s PHE 771 Cb 0.07 -1.06 0.32 0.00 0.51 0.00 0.00 43.02 42.87 3i8e s PHE 771 CO 0.59 0.32 1.39 0.45 0.70 0.00 0.00 175.22 178.68 3i8e n SER 772 N 0.71 -1.16 0.00 1.36 2.88 -1.26 -5.21 113.62 110.94 3i8e n SER 772 Ca -0.16 -2.16 0.00 0.00 -1.33 0.00 0.00 58.87 55.22 3i8e n SER 772 Cb 0.55 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 3i8e n SER 772 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3i8e n SER 773 N -1.12 0.00 0.00 -3.46 3.41 -1.26 -5.33 113.62 105.87 3i8e n SER 773 Ca -0.19 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3i8e n SER 773 Cb 0.84 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3i8e n SER 773 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8e n GLY 783 N 2.24 0.00 2.98 5.00 0.00 -1.26 -5.31 105.19 108.84 3i8e n GLY 783 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3i8e n GLY 783 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8e s GLU 784 N 0.00 1.56 -0.04 1.61 2.02 -1.26 -5.00 118.70 117.59 3i8e s GLU 784 Ca 0.00 -0.34 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 3i8e s GLU 784 Cb 0.00 -1.38 -0.05 0.00 0.10 0.00 0.00 34.13 32.80 3i8e s GLU 784 CO 0.00 -0.06 0.24 -1.21 0.02 0.00 0.00 175.26 174.26 3i8e s GLU 785 N 0.95 3.58 -0.15 1.61 2.02 -1.26 0.39 118.70 125.84 3i8e s GLU 785 Ca -0.09 -0.03 -0.06 0.00 0.02 0.00 0.00 54.97 54.81 3i8e s GLU 785 Cb -0.15 -3.14 0.07 0.00 0.10 0.00 0.00 34.13 31.01 3i8e s GLU 785 CO 0.00 0.70 0.31 0.54 0.02 0.00 0.00 175.26 176.84 3i8e s VAL 786 N -1.17 -0.33 0.27 2.63 0.11 -1.15 -4.99 120.40 115.78 3i8e s VAL 786 Ca 0.23 0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 59.17 3i8e s VAL 786 Cb -0.13 -0.50 -0.12 0.00 -1.53 0.00 0.00 36.38 34.09 3i8e s VAL 786 CO 0.12 0.08 1.55 -0.62 -3.33 0.00 0.00 175.10 172.90 3i8e n GLU 787 N 4.96 2.53 -5.08 1.54 1.02 -1.26 -2.94 120.64 121.42 3i8e n GLU 787 Ca -0.13 0.90 -0.32 0.00 -0.02 0.00 0.00 57.16 57.59 3i8e n GLU 787 Cb 0.51 -2.65 -0.15 0.00 -0.02 0.00 0.00 31.44 29.13 3i8e n GLU 787 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i8e s VAL 788 N 0.04 2.56 0.21 2.62 1.01 0.24 -4.64 120.40 122.45 3i8e s VAL 788 Ca 0.66 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.83 3i8e s VAL 788 Cb -0.54 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3i8e s VAL 788 CO 0.48 0.58 -0.13 -1.00 0.00 0.00 0.00 175.10 175.03 3i8e s HIS 789 N -0.50 2.52 -0.13 5.22 3.76 -1.26 -1.00 115.29 123.90 3i8e s HIS 789 Ca 0.06 -0.27 -0.18 0.00 -0.15 0.00 0.00 55.06 54.53 3i8e s HIS 789 Cb -0.11 -1.20 0.04 0.00 1.11 0.00 0.00 32.58 32.41 3i8e s HIS 789 CO 0.01 0.55 0.46 -0.80 -0.85 0.00 0.00 174.74 174.11 3i8e s ASN 790 N -2.97 -0.45 -0.30 1.40 0.01 -0.84 -2.52 114.94 109.28 3i8e s ASN 790 Ca 0.25 0.74 -0.18 0.00 -0.71 0.00 0.00 52.86 52.96 3i8e s ASN 790 Cb -0.08 0.78 -0.02 0.00 0.41 0.00 0.00 41.25 42.34 3i8e s ASN 790 CO 0.14 -0.27 0.53 -0.22 -1.51 0.00 0.00 177.10 175.77 3i8e s LEU 791 N -0.25 4.15 -0.16 0.60 2.96 -0.82 -0.86 118.68 124.30 3i8e s LEU 791 Ca -0.04 0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 54.12 3i8e s LEU 791 Cb -0.03 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 3i8e s LEU 791 CO 0.02 -0.38 0.11 -0.76 -1.32 0.00 0.00 176.35 174.03 3i8e s LEU 792 N 2.38 4.16 -0.31 -0.68 1.43 0.13 -1.99 118.68 123.82 3i8e s LEU 792 Ca 0.21 0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 3i8e s LEU 792 Cb -0.15 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3i8e s LEU 792 CO 0.11 0.27 0.12 -0.63 0.23 0.00 0.00 176.35 176.45 3i8e s ILE 793 N -0.20 4.26 -0.24 -0.59 -1.09 0.60 -0.19 121.20 123.75 3i8e s ILE 793 Ca 0.10 -0.59 -0.06 0.00 -2.23 0.00 0.00 60.65 57.87 3i8e s ILE 793 Cb -0.12 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 3i8e s ILE 793 CO 0.01 0.06 0.02 -0.63 -1.23 0.00 0.00 174.94 173.16 3i8e s ILE 794 N 1.55 3.82 0.28 2.92 1.09 0.31 -0.63 121.20 130.54 3i8e s ILE 794 Ca 0.03 -0.38 -0.30 0.00 -1.10 0.00 0.00 60.65 58.90 3i8e s ILE 794 Cb -0.17 -2.79 -0.13 0.00 -1.06 0.00 0.00 42.46 38.31 3i8e s ILE 794 CO 0.04 0.35 1.45 -0.67 -0.10 0.00 0.00 174.94 176.01 3i8e n ASP 795 N 4.86 3.15 0.24 3.58 -0.08 -1.07 -0.24 116.55 126.97 3i8e n ASP 795 Ca -0.17 1.16 0.13 0.00 -1.51 0.00 0.00 54.79 54.40 3i8e n ASP 795 Cb 0.51 -1.50 0.33 0.00 2.34 0.00 0.00 41.12 42.79 3i8e n ASP 795 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 3i8e h GLN 796 N 4.04 0.00 0.06 -0.67 3.07 -1.90 -1.57 115.11 118.14 3i8e h GLN 796 Ca -0.46 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 57.99 3i8e h GLN 796 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.79 3i8e h GLN 796 CO 0.74 0.01 -1.60 0.72 0.09 0.00 0.00 178.83 178.79 3i8e n HIS 797 N -3.10 1.12 0.05 0.06 8.25 -1.26 -4.48 115.22 115.85 3i8e n HIS 797 Ca 0.03 0.36 0.10 0.00 -0.26 0.00 0.00 57.72 57.95 3i8e n HIS 797 Cb 0.47 -1.13 -0.08 0.00 1.12 0.00 0.00 29.99 30.37 3i8e n HIS 797 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3i8e n THR 798 N -4.02 0.44 -2.83 1.59 -2.24 -1.25 -4.96 114.28 101.01 3i8e n THR 798 Ca -0.32 -0.55 -0.15 0.00 -2.27 0.00 0.00 64.05 60.75 3i8e n THR 798 Cb 0.85 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3i8e n THR 798 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i8e n PHE 799 N -2.53 -1.63 -2.14 4.78 3.01 -0.59 -4.98 117.46 113.37 3i8e n PHE 799 Ca -0.03 0.19 -0.29 0.00 1.01 0.00 0.00 57.45 58.33 3i8e n PHE 799 Cb 0.60 -2.63 0.02 0.00 -0.01 0.00 0.00 39.48 37.47 3i8e n PHE 799 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i8e s GLU 800 N -5.43 3.19 -0.96 -1.08 2.02 -1.26 -4.91 118.70 110.27 3i8e s GLU 800 Ca 0.17 0.38 -0.12 0.00 0.02 0.00 0.00 54.97 55.41 3i8e s GLU 800 Cb -0.09 -2.16 0.25 0.00 0.10 0.00 0.00 34.13 32.23 3i8e s GLU 800 CO 0.20 -0.68 0.93 0.08 0.02 0.00 0.00 175.26 175.81 3i8e s VAL 801 N -3.11 5.79 0.52 2.63 1.01 -1.26 -2.61 120.40 123.37 3i8e s VAL 801 Ca 0.54 -2.91 0.16 0.00 0.00 0.00 0.00 61.98 59.77 3i8e s VAL 801 Cb -0.11 -4.54 0.27 0.00 0.00 0.00 0.00 36.38 32.01 3i8e s VAL 801 CO 0.50 -1.11 2.14 -0.07 0.00 0.00 0.00 175.10 176.56 3i8e h LEU 802 N 7.29 0.02 -7.20 3.92 3.38 -1.25 -1.86 115.31 119.60 3i8e h LEU 802 Ca 0.14 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3i8e h LEU 802 Cb 0.96 -0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.51 3i8e h LEU 802 CO 0.87 0.01 -0.01 -2.28 0.09 0.00 0.00 178.44 177.13 3i8e s HIS 803 N -5.09 -0.48 -0.33 1.13 2.46 -1.12 -3.93 115.29 107.93 3i8e s HIS 803 Ca -0.05 0.87 -0.01 0.00 0.47 0.00 0.00 55.06 56.33 3i8e s HIS 803 Cb 0.17 0.27 0.13 0.00 -0.13 0.00 0.00 32.58 33.02 3i8e s HIS 803 CO 0.67 -0.49 0.20 0.00 -2.47 0.00 0.00 174.74 172.65 3i8e s ALA 804 N -1.06 0.62 -0.04 1.58 0.00 -1.03 -0.29 121.76 121.54 3i8e s ALA 804 Ca -0.11 -1.41 -0.28 0.00 0.00 0.00 0.00 51.96 50.17 3i8e s ALA 804 Cb -0.02 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 3i8e s ALA 804 CO 0.07 -1.92 0.90 -1.58 0.00 0.00 0.00 175.76 173.23 3i8e s HIS 805 N 1.56 3.61 -0.31 0.00 5.04 -0.84 -2.81 115.29 121.54 3i8e s HIS 805 Ca 0.14 1.54 -0.11 0.00 -1.54 0.00 0.00 55.06 55.09 3i8e s HIS 805 Cb -0.19 -3.03 -0.02 0.00 0.04 0.00 0.00 32.58 29.37 3i8e s HIS 805 CO -0.16 -0.02 0.19 -1.14 -2.34 0.00 0.00 174.74 171.27 3i8e s GLN 806 N 1.13 3.59 0.99 2.88 0.74 0.12 -1.94 119.66 127.17 3i8e s GLN 806 Ca 0.47 -0.56 -0.12 0.00 0.05 0.00 0.00 55.36 55.20 3i8e s GLN 806 Cb -0.20 -3.66 0.19 0.00 1.10 0.00 0.00 33.01 30.44 3i8e s GLN 806 CO 0.23 -0.34 1.08 -0.06 -0.55 0.00 0.00 175.29 175.65 3i8e s PHE 807 N 1.69 2.00 1.10 1.67 0.40 -1.05 0.11 117.98 123.90 3i8e s PHE 807 Ca 0.06 1.16 -0.12 0.00 -0.60 0.00 0.00 56.93 57.43 3i8e s PHE 807 Cb -0.17 -3.20 0.25 0.00 0.51 0.00 0.00 43.02 40.41 3i8e s PHE 807 CO 0.09 -2.92 1.05 -0.51 0.70 0.00 0.00 175.22 173.63 3i8e s LEU 808 N -6.54 1.25 0.33 -0.37 1.43 -1.26 -4.67 118.68 108.84 3i8e s LEU 808 Ca 0.65 1.57 -0.28 0.00 -1.03 0.00 0.00 54.13 55.04 3i8e s LEU 808 Cb -0.20 -3.60 -0.13 0.00 0.03 0.00 0.00 46.19 42.30 3i8e s LEU 808 CO 0.59 -3.87 1.22 1.67 0.23 0.00 0.00 176.35 176.19 3i8e n GLN 809 N -4.70 1.92 -0.78 1.70 7.27 -1.26 -2.31 117.38 119.22 3i8e n GLN 809 Ca 0.05 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.79 3i8e n GLN 809 Cb 0.54 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 30.99 3i8e n GLN 809 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3i8e n ASN 810 N 0.92 -4.60 -4.61 1.69 3.02 -1.26 -4.92 115.26 105.50 3i8e n ASN 810 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.22 3i8e n ASN 810 Cb 0.35 -2.85 -0.09 0.00 -0.61 0.00 0.00 39.78 36.58 3i8e n ASN 810 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i8e s GLU 811 N -1.56 4.02 -0.11 3.52 2.12 -0.98 -0.58 118.70 125.13 3i8e s GLU 811 Ca 0.00 0.06 -0.06 0.00 0.36 0.00 0.00 54.97 55.33 3i8e s GLU 811 Cb 0.00 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 3i8e s GLU 811 CO 0.00 -0.28 0.11 0.71 -0.54 0.00 0.00 175.26 175.27 3i8e s TYR 812 N 2.07 3.51 -0.19 5.30 4.12 -0.14 -4.36 117.35 127.66 3i8e s TYR 812 Ca 0.15 0.46 -0.10 0.00 0.02 0.00 0.00 57.07 57.61 3i8e s TYR 812 Cb -0.16 -1.91 -0.05 0.00 -1.52 0.00 0.00 41.96 38.33 3i8e s TYR 812 CO 0.10 0.68 0.13 0.00 0.02 0.00 0.00 175.55 176.48 3i8e s ALA 813 N -1.00 3.69 -0.19 3.71 0.00 -1.26 -1.69 121.76 125.02 3i8e s ALA 813 Ca 0.15 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.44 3i8e s ALA 813 Cb -0.12 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.86 3i8e s ALA 813 CO 0.04 0.20 0.36 1.28 0.00 0.00 0.00 175.76 177.64 3i8e n LEU 814 N 3.39 0.72 -3.45 0.00 4.77 0.72 -4.98 117.00 118.16 3i8e n LEU 814 Ca -0.16 -0.79 -0.13 0.00 -0.03 0.00 0.00 56.01 54.89 3i8e n LEU 814 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3i8e n LEU 814 CO 0.36 0.17 0.42 -0.94 -1.33 0.00 0.00 177.39 176.07 3i8e s SER 815 N -0.60 -0.59 -0.21 -1.43 1.04 -1.17 -4.71 113.70 106.04 3i8e s SER 815 Ca 0.02 0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.54 3i8e s SER 815 Cb 0.02 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.79 3i8e s SER 815 CO 0.05 -0.86 0.48 -0.22 0.98 0.00 0.00 173.24 173.67 3i8e s LEU 816 N -2.32 -0.51 0.13 2.42 2.96 -1.26 -3.15 118.68 116.97 3i8e s LEU 816 Ca -0.02 1.09 0.08 0.00 -0.22 0.00 0.00 54.13 55.06 3i8e s LEU 816 Cb -0.01 1.61 -0.04 0.00 0.50 0.00 0.00 46.19 48.26 3i8e s LEU 816 CO -0.07 -0.22 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.86 3i8e s VAL 817 N 1.95 1.75 -0.21 1.68 1.01 -0.57 -4.91 120.40 121.10 3i8e s VAL 817 Ca -0.07 -1.73 0.02 0.00 0.00 0.00 0.00 61.98 60.20 3i8e s VAL 817 Cb -0.09 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.64 3i8e s VAL 817 CO -0.15 -0.20 -0.14 -0.55 0.00 0.00 0.00 175.10 174.07 3i8e s SER 818 N -2.29 3.58 0.21 3.32 0.15 -1.26 -1.48 113.70 115.93 3i8e s SER 818 Ca 0.11 -0.94 -0.13 0.00 0.70 0.00 0.00 55.95 55.69 3i8e s SER 818 Cb -0.08 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 3i8e s SER 818 CO 0.05 -0.10 0.43 0.00 1.20 0.00 0.00 173.24 174.82 3i8e s LYS 820 N -3.97 4.26 0.02 0.00 1.02 -1.26 -0.40 119.74 119.41 3i8e s LYS 820 Ca 0.17 0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.42 3i8e s LYS 820 Cb 0.00 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3i8e s LYS 820 CO 0.03 0.13 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.03 3i8e s LEU 821 N 0.77 3.25 0.00 3.17 1.43 -1.26 -4.60 118.68 121.43 3i8e s LEU 821 Ca 0.20 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3i8e s LEU 821 Cb -0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3i8e s LEU 821 CO 0.07 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.52 3i8e n GLY 822 N 1.36 3.14 1.24 -3.19 0.00 0.17 -2.03 105.19 105.89 3i8e n GLY 822 Ca -0.15 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.82 3i8e n GLY 822 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8e n LYS 823 N 14.00 3.59 -2.35 1.61 4.01 -1.26 -4.88 118.16 132.88 3i8e n LYS 823 Ca 0.00 -2.87 -0.42 0.00 -0.51 0.00 0.00 58.31 54.51 3i8e n LYS 823 Cb 0.00 -1.92 -0.03 0.00 -0.51 0.00 0.00 35.03 32.57 3i8e n LYS 823 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3i8e s ASP 824 N -1.39 7.00 0.31 4.39 -1.08 -0.86 -4.95 116.67 120.08 3i8e s ASP 824 Ca 0.45 2.07 0.14 0.00 -0.52 0.00 0.00 52.55 54.70 3i8e s ASP 824 Cb 0.34 -2.58 0.45 0.00 -1.46 0.00 0.00 42.92 39.67 3i8e s ASP 824 CO 0.14 -0.55 1.63 1.55 0.52 0.00 0.00 175.17 178.46 3i8e h PRO 825 N 6.97 0.00 -7.06 4.34 0.13 -1.95 -3.41 132.00 131.03 3i8e h PRO 825 Ca -0.41 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.24 3i8e h PRO 825 Cb 1.20 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.38 3i8e h PRO 825 CO 0.84 0.53 0.41 -0.80 -0.23 0.00 0.00 178.00 178.75 3i8e s ASN 826 N -6.63 6.19 -0.18 1.44 -0.87 -1.26 -5.04 114.94 108.59 3i8e s ASN 826 Ca -0.00 2.05 -0.08 0.00 -1.57 0.00 0.00 52.86 53.26 3i8e s ASN 826 Cb 0.11 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.73 3i8e s ASN 826 CO 0.73 -0.89 0.09 -0.89 -2.57 0.00 0.00 177.10 173.57 3i8e s THR 827 N -1.84 5.07 0.45 1.60 2.01 -1.26 -4.55 115.64 117.12 3i8e s THR 827 Ca 0.67 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.81 3i8e s THR 827 Cb -0.20 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.02 3i8e s THR 827 CO 0.24 0.47 0.44 -0.31 -0.69 0.00 0.00 174.62 174.77 3i8e s TYR 828 N 0.23 2.40 -0.19 4.92 1.51 0.47 -4.63 117.35 122.05 3i8e s TYR 828 Ca 0.06 -0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 3i8e s TYR 828 Cb -0.12 -2.15 0.01 0.00 -0.11 0.00 0.00 41.96 39.59 3i8e s TYR 828 CO -0.00 -0.31 -0.14 -0.06 -1.11 0.00 0.00 175.55 173.93 3i8e s PHE 829 N -2.54 2.84 -0.12 2.71 0.08 0.72 -2.79 117.98 118.88 3i8e s PHE 829 Ca 0.47 -1.29 0.02 0.00 0.12 0.00 0.00 56.93 56.25 3i8e s PHE 829 Cb -0.04 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 3i8e s PHE 829 CO 0.28 -0.66 -0.18 0.42 -0.10 0.00 0.00 175.22 174.98 3i8e s ILE 830 N 1.27 2.57 -0.22 0.64 1.01 -0.55 0.45 121.20 126.37 3i8e s ILE 830 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3i8e s ILE 830 Cb -0.14 -2.05 0.06 0.00 0.01 0.00 0.00 42.46 40.34 3i8e s ILE 830 CO -0.07 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.67 3i8e s VAL 831 N 0.44 1.35 0.14 2.92 1.01 -0.69 -1.52 120.40 124.05 3i8e s VAL 831 Ca -0.13 -1.09 -0.26 0.00 0.00 0.00 0.00 61.98 60.50 3i8e s VAL 831 Cb -0.17 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 3i8e s VAL 831 CO 0.06 -0.10 0.80 -0.83 0.00 0.00 0.00 175.10 175.03 3i8e s GLY 832 N 1.48 2.92 0.00 4.51 0.00 -1.19 -1.75 107.32 113.30 3i8e s GLY 832 Ca -0.05 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.06 3i8e s GLY 832 CO -0.07 0.99 0.00 -1.30 0.00 0.00 0.00 173.10 172.73 3i8e n THR 833 N 1.92 0.00 0.00 0.90 -2.24 -0.48 -0.20 114.28 114.18 3i8e n THR 833 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3i8e n THR 833 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3i8e n THR 833 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8e n ALA 834 N -3.00 0.00 -2.82 6.98 0.00 -0.68 -1.58 120.51 119.40 3i8e n ALA 834 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3i8e n ALA 834 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3i8e n ALA 834 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3i8e s MET 835 N -1.97 3.95 -0.14 0.00 -1.94 -1.25 -0.96 119.30 116.98 3i8e s MET 835 Ca 0.00 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.63 3i8e s MET 835 Cb 0.00 -3.27 -0.01 0.00 2.01 0.00 0.00 34.83 33.57 3i8e s MET 835 CO 0.00 0.20 -0.14 0.08 -0.01 0.00 0.00 175.02 175.14 3i8e s VAL 836 N 0.59 2.81 -0.04 -6.03 1.01 0.25 -4.75 120.40 114.24 3i8e s VAL 836 Ca 0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3i8e s VAL 836 Cb -0.13 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.11 3i8e s VAL 836 CO 0.01 0.52 0.07 -0.31 0.00 0.00 0.00 175.10 175.39 3i8e s TYR 837 N 0.62 -0.02 -2.00 5.22 1.51 -1.26 -4.85 117.35 116.57 3i8e s TYR 837 Ca -0.08 0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 3i8e s TYR 837 Cb -0.16 -0.27 0.02 0.00 -0.11 0.00 0.00 41.96 41.45 3i8e s TYR 837 CO 0.03 -0.15 0.16 -2.30 -1.11 0.00 0.00 175.55 172.18 3i8e n PRO 838 N 4.58 0.10 -0.08 -1.71 -0.02 -1.26 -2.10 135.00 134.52 3i8e n PRO 838 Ca -0.19 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.14 3i8e n PRO 838 Cb 0.50 -1.05 -0.10 0.00 -0.02 0.00 0.00 33.50 32.84 3i8e n PRO 838 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3i8e h GLU 839 N 0.00 0.00 -5.53 -0.52 9.09 -2.02 -3.46 114.58 112.13 3i8e h GLU 839 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.80 3i8e h GLU 839 Cb 0.00 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 26.99 3i8e h GLU 839 CO 0.00 0.78 0.14 -1.83 0.05 0.00 0.00 179.01 178.15 3i8e s GLU 840 N -2.23 4.13 0.37 1.06 -1.05 -0.89 -4.98 118.70 115.11 3i8e s GLU 840 Ca -0.21 0.55 0.06 0.00 -0.15 0.00 0.00 54.97 55.21 3i8e s GLU 840 Cb 0.02 -3.63 0.72 0.00 -0.44 0.00 0.00 34.13 30.80 3i8e s GLU 840 CO 0.52 -0.37 1.95 0.00 0.95 0.00 0.00 175.26 178.31 3i8e h ALA 841 N 7.80 1.51 -3.42 -0.84 0.00 -1.90 -3.43 119.26 118.99 3i8e h ALA 841 Ca -0.28 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.15 3i8e h ALA 841 Cb 1.13 -0.15 -0.23 0.00 0.00 0.00 0.00 17.79 18.54 3i8e h ALA 841 CO 0.77 0.37 -0.76 -1.83 0.00 0.00 0.00 179.25 177.80 3i8e s GLU 842 N -5.15 0.65 0.12 0.00 -1.05 -1.26 -5.13 118.70 106.88 3i8e s GLU 842 Ca -0.08 -0.73 -0.22 0.00 -0.15 0.00 0.00 54.97 53.80 3i8e s GLU 842 Cb 0.16 -0.54 -0.07 0.00 -0.44 0.00 0.00 34.13 33.24 3i8e s GLU 842 CO 0.75 0.12 0.66 -1.25 0.95 0.00 0.00 175.26 176.49 3i8e s PRO 843 N -1.35 4.35 -0.35 -4.83 0.04 -1.26 -4.97 135.00 126.63 3i8e s PRO 843 Ca -0.05 0.91 0.07 0.00 0.04 0.00 0.00 61.00 61.98 3i8e s PRO 843 Cb -0.09 -3.22 0.51 0.00 0.04 0.00 0.00 34.50 31.74 3i8e s PRO 843 CO 0.01 0.59 1.52 0.36 0.04 0.00 0.00 177.00 179.52 3i8e n LYS 844 N 1.57 2.23 -4.08 4.56 0.00 -1.26 -3.33 118.16 117.85 3i8e n LYS 844 Ca -0.08 -3.35 -0.12 0.00 -0.00 0.00 0.00 58.31 54.77 3i8e n LYS 844 Cb 0.50 -1.97 -0.06 0.00 -0.00 0.00 0.00 35.03 33.50 3i8e n LYS 844 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3i8e s GLN 845 N -3.38 1.57 0.00 -1.58 -0.21 -1.26 -3.44 119.66 111.36 3i8e s GLN 845 Ca 0.49 -1.50 0.00 0.00 0.02 0.00 0.00 55.36 54.37 3i8e s GLN 845 Cb 0.43 0.41 0.00 0.00 1.00 0.00 0.00 33.01 34.85 3i8e s GLN 845 CO 0.01 -0.62 0.00 0.41 -2.12 0.00 0.00 175.29 172.96 3i8e n GLY 846 N -0.41 4.40 3.33 3.09 0.00 -0.99 -3.49 105.19 111.12 3i8e n GLY 846 Ca 0.00 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 3i8e n GLY 846 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i8e s ARG 847 N -3.50 1.62 -0.36 1.61 1.70 -1.26 -0.34 118.95 118.41 3i8e s ARG 847 Ca 0.00 -1.11 -0.12 0.00 -0.47 0.00 0.00 55.73 54.03 3i8e s ARG 847 Cb 0.00 -1.83 0.00 0.00 -0.57 0.00 0.00 34.95 32.55 3i8e s ARG 847 CO 0.00 0.47 0.22 0.42 -1.08 0.00 0.00 175.30 175.33 3i8e s ILE 848 N -0.86 4.94 -0.08 4.99 1.01 -0.24 -1.38 121.20 129.59 3i8e s ILE 848 Ca 0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 3i8e s ILE 848 Cb -0.10 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3i8e s ILE 848 CO 0.03 -0.11 0.09 -0.69 0.00 0.00 0.00 174.94 174.25 3i8e s VAL 849 N 1.65 4.95 -0.73 2.92 1.01 -0.72 -1.91 120.40 127.58 3i8e s VAL 849 Ca 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 3i8e s VAL 849 Cb -0.18 -3.17 0.18 0.00 0.00 0.00 0.00 36.38 33.21 3i8e s VAL 849 CO 0.08 0.54 0.55 -0.69 0.00 0.00 0.00 175.10 175.58 3i8e s VAL 850 N -1.04 3.65 0.59 2.92 1.01 0.18 -1.71 120.40 126.01 3i8e s VAL 850 Ca 0.17 -3.60 -0.16 0.00 0.00 0.00 0.00 61.98 58.39 3i8e s VAL 850 Cb -0.12 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3i8e s VAL 850 CO 0.07 -0.97 1.06 -0.36 0.00 0.00 0.00 175.10 174.90 3i8e s PHE 851 N -0.84 2.94 -0.03 5.22 0.40 0.17 -1.46 117.98 124.38 3i8e s PHE 851 Ca 0.22 1.52 -0.01 0.00 -0.60 0.00 0.00 56.93 58.06 3i8e s PHE 851 Cb -0.13 -3.04 0.03 0.00 0.51 0.00 0.00 43.02 40.39 3i8e s PHE 851 CO -0.09 -1.18 0.04 -1.14 0.70 0.00 0.00 175.22 173.55 3i8e s GLN 852 N -4.01 -0.00 -0.20 0.44 0.74 -0.01 -0.20 119.66 116.40 3i8e s GLN 852 Ca 0.64 0.26 -0.14 0.00 0.05 0.00 0.00 55.36 56.17 3i8e s GLN 852 Cb -0.17 -0.41 -0.04 0.00 1.10 0.00 0.00 33.01 33.49 3i8e s GLN 852 CO 0.36 -0.24 0.33 -0.47 -0.55 0.00 0.00 175.29 174.72 3i8e s TYR 853 N 1.57 3.38 0.00 1.67 5.04 -1.25 0.00 117.35 127.76 3i8e s TYR 853 Ca -0.03 0.53 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 3i8e s TYR 853 Cb -0.13 -2.44 0.00 0.00 0.35 0.00 0.00 41.96 39.74 3i8e s TYR 853 CO -0.03 0.05 0.00 0.43 -1.34 0.00 0.00 175.55 174.66 3i8e n SER 854 N 4.28 0.00 0.00 4.32 7.64 0.44 -4.91 113.62 125.39 3i8e n SER 854 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3i8e n SER 854 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3i8e n SER 854 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3i8e n ASP 855 N 0.00 0.00 -2.57 6.43 9.92 -1.26 -4.55 116.55 124.52 3i8e n ASP 855 Ca 0.00 0.37 -0.19 0.00 -0.53 0.00 0.00 54.79 54.44 3i8e n ASP 855 Cb 0.00 -0.06 0.01 0.00 -0.64 0.00 0.00 41.12 40.43 3i8e n ASP 855 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i8e n GLY 856 N 0.59 4.11 2.86 0.44 0.00 -1.26 -5.08 105.19 106.86 3i8e n GLY 856 Ca 0.00 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 3i8e n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8e s LYS 857 N -3.35 0.98 -0.38 1.61 1.02 -1.26 -5.11 119.74 113.24 3i8e s LYS 857 Ca 0.39 -0.09 -0.10 0.00 0.02 0.00 0.00 55.97 56.19 3i8e s LYS 857 Cb 0.42 -1.10 0.04 0.00 -0.52 0.00 0.00 37.83 36.67 3i8e s LYS 857 CO -0.09 -0.19 0.21 -1.17 -0.92 0.00 0.00 175.35 173.19 3i8e s LEU 858 N 1.44 4.79 -0.15 3.17 1.98 -1.26 0.17 118.68 128.82 3i8e s LEU 858 Ca -0.02 -1.11 -0.03 0.00 -2.89 0.00 0.00 54.13 50.08 3i8e s LEU 858 Cb -0.13 -2.01 -0.03 0.00 0.66 0.00 0.00 46.19 44.68 3i8e s LEU 858 CO -0.03 -0.42 -0.05 -1.58 -1.89 0.00 0.00 176.35 172.38 3i8e s GLN 859 N 1.52 3.64 -0.73 1.98 0.74 0.10 -4.93 119.66 121.98 3i8e s GLN 859 Ca 0.02 -0.54 -0.27 0.00 0.05 0.00 0.00 55.36 54.62 3i8e s GLN 859 Cb -0.20 -2.88 0.02 0.00 1.10 0.00 0.00 33.01 31.04 3i8e s GLN 859 CO 0.06 0.24 1.43 0.99 -0.55 0.00 0.00 175.29 177.46 3i8e s THR 860 N 0.37 3.65 0.04 -0.34 2.01 -1.26 -0.83 115.64 119.27 3i8e s THR 860 Ca -0.05 0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.19 3i8e s THR 860 Cb -0.14 -4.69 -0.28 0.00 0.01 0.00 0.00 72.50 67.39 3i8e s THR 860 CO 0.03 -1.64 1.02 0.58 -0.69 0.00 0.00 174.62 173.93 3i8e h VAL 861 N 6.30 1.35 -1.39 3.82 2.07 -1.58 -3.48 116.25 123.33 3i8e h VAL 861 Ca -0.24 -2.95 0.13 0.00 0.82 0.00 0.00 66.70 64.46 3i8e h VAL 861 Cb 1.07 2.86 -0.25 0.00 -1.52 0.00 0.00 31.29 33.45 3i8e h VAL 861 CO 1.27 0.86 0.68 0.00 0.02 0.00 0.00 177.57 180.40 3i8e s ALA 862 N -2.64 -2.01 0.37 1.67 0.00 -1.20 -4.99 121.76 112.96 3i8e s ALA 862 Ca -0.06 1.71 0.05 0.00 0.00 0.00 0.00 51.96 53.65 3i8e s ALA 862 Cb 0.07 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.06 3i8e s ALA 862 CO 0.87 -0.27 0.04 -1.83 0.00 0.00 0.00 175.76 174.57 3i8e s GLU 863 N -0.92 1.80 -0.27 0.00 -1.05 -1.26 0.49 118.70 117.48 3i8e s GLU 863 Ca 0.02 -2.02 -0.16 0.00 -0.15 0.00 0.00 54.97 52.67 3i8e s GLU 863 Cb -0.01 -1.14 0.08 0.00 -0.44 0.00 0.00 34.13 32.62 3i8e s GLU 863 CO -0.03 -0.17 0.68 0.21 0.95 0.00 0.00 175.26 176.90 3i8e s LYS 864 N -3.82 0.69 0.59 -4.83 2.47 -0.80 -4.81 119.74 109.23 3i8e s LYS 864 Ca 0.34 1.21 -0.14 0.00 -1.56 0.00 0.00 55.97 55.82 3i8e s LYS 864 Cb 0.08 0.14 -0.05 0.00 -1.46 0.00 0.00 37.83 36.55 3i8e s LYS 864 CO 0.16 -0.15 1.02 -2.00 0.16 0.00 0.00 175.35 174.54 3i8e s GLU 865 N 1.65 3.61 -0.07 4.03 2.12 -1.26 -1.08 118.70 127.70 3i8e s GLU 865 Ca -0.10 0.90 -0.06 0.00 0.36 0.00 0.00 54.97 56.07 3i8e s GLU 865 Cb -0.05 -2.08 0.02 0.00 0.26 0.00 0.00 34.13 32.27 3i8e s GLU 865 CO -0.20 -0.56 0.18 0.14 -0.54 0.00 0.00 175.26 174.28 3i8e s VAL 866 N -2.88 -0.00 -0.21 3.70 -7.23 0.53 -4.87 120.40 109.44 3i8e s VAL 866 Ca 0.58 0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.71 3i8e s VAL 866 Cb -0.12 -0.26 -0.10 0.00 0.56 0.00 0.00 36.38 36.47 3i8e s VAL 866 CO 0.44 0.01 3.14 0.29 -0.31 0.00 0.00 175.10 178.67 3i8e n LYS 867 N 3.08 2.14 0.00 4.82 5.02 -1.26 -2.34 118.16 129.62 3i8e n LYS 867 Ca -0.14 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.56 3i8e n LYS 867 Cb 0.58 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3i8e n LYS 867 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8e n GLY 868 N 1.67 1.86 3.75 0.72 0.00 -1.22 -4.42 105.19 107.54 3i8e n GLY 868 Ca 0.44 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3i8e n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8e s ALA 869 N -2.00 3.46 -0.49 4.61 0.00 -1.21 -4.24 121.76 121.90 3i8e s ALA 869 Ca 0.00 1.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 3i8e s ALA 869 Cb 0.00 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.75 3i8e s ALA 869 CO 0.00 -0.42 0.62 0.08 0.00 0.00 0.00 175.76 176.05 3i8e s VAL 870 N -0.64 4.87 -0.14 0.00 1.01 -0.62 -2.91 120.40 121.98 3i8e s VAL 870 Ca 0.50 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3i8e s VAL 870 Cb -0.35 -4.27 -0.25 0.00 0.00 0.00 0.00 36.38 31.51 3i8e s VAL 870 CO 0.43 -0.76 0.46 1.88 0.00 0.00 0.00 175.10 177.11 3i8e h TYR 871 N 8.97 0.29 -3.86 5.22 -1.99 -1.26 -3.40 116.97 120.94 3i8e h TYR 871 Ca -0.27 -0.21 -0.17 0.00 2.00 0.00 0.00 58.73 60.08 3i8e h TYR 871 Cb 1.10 -0.01 -0.08 0.00 2.00 0.00 0.00 36.73 39.74 3i8e h TYR 871 CO 0.74 1.52 -0.14 -1.54 -0.00 0.00 0.00 178.16 178.75 3i8e s SER 872 N -6.92 0.42 -0.35 3.88 1.04 -1.25 -4.56 113.70 105.95 3i8e s SER 872 Ca -0.23 -1.24 -0.02 0.00 0.48 0.00 0.00 55.95 54.94 3i8e s SER 872 Cb 0.04 0.64 0.19 0.00 0.10 0.00 0.00 66.02 66.99 3i8e s SER 872 CO 0.71 -1.26 0.86 0.00 0.98 0.00 0.00 173.24 174.54 3i8e s MET 873 N -3.38 0.42 0.51 4.02 0.23 -1.26 -2.07 119.30 117.77 3i8e s MET 873 Ca 0.26 -0.04 -0.20 0.00 -1.03 0.00 0.00 55.69 54.68 3i8e s MET 873 Cb -0.01 0.08 -0.08 0.00 -1.53 0.00 0.00 34.83 33.29 3i8e s MET 873 CO 0.15 -0.64 1.07 0.54 -2.03 0.00 0.00 175.02 174.10 3i8e s VAL 874 N 2.15 3.58 -0.20 5.16 0.11 -1.22 -4.69 120.40 125.29 3i8e s VAL 874 Ca 0.16 0.98 -0.25 0.00 -2.93 0.00 0.00 61.98 59.95 3i8e s VAL 874 Cb -0.01 -3.39 -0.01 0.00 -1.53 0.00 0.00 36.38 31.43 3i8e s VAL 874 CO -0.14 -0.21 0.82 -0.70 -3.33 0.00 0.00 175.10 171.53 3i8e s GLU 875 N -3.26 4.25 0.00 1.54 -6.30 -1.26 -2.69 118.70 110.98 3i8e s GLU 875 Ca 0.69 0.96 0.00 0.00 -2.50 0.00 0.00 54.97 54.12 3i8e s GLU 875 Cb -0.19 -3.60 0.00 0.00 0.00 0.00 0.00 34.13 30.34 3i8e s GLU 875 CO 0.22 -0.39 0.00 0.34 0.02 0.00 0.00 175.26 175.46 3i8e n PHE 876 N 5.49 0.00 -3.16 5.30 7.35 0.96 -4.89 117.46 128.51 3i8e n PHE 876 Ca 0.04 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.51 3i8e n PHE 876 Cb 0.48 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.27 3i8e n PHE 876 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i8e n ASN 877 N 0.00 1.88 -0.72 -2.13 3.02 -1.26 -4.76 115.26 111.29 3i8e n ASN 877 Ca 0.00 -3.15 -0.08 0.00 -0.03 0.00 0.00 54.58 51.32 3i8e n ASN 877 Cb 0.00 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.53 3i8e n ASN 877 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i8e n GLY 878 N 0.48 0.78 2.97 7.41 0.00 -1.26 -4.88 105.19 110.68 3i8e n GLY 878 Ca 0.26 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 3i8e n GLY 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8e s LYS 879 N -3.12 0.52 0.10 1.61 1.02 -1.26 0.46 119.74 119.07 3i8e s LYS 879 Ca 0.00 -0.21 -0.20 0.00 0.02 0.00 0.00 55.97 55.58 3i8e s LYS 879 Cb 0.00 -0.51 -0.07 0.00 -0.52 0.00 0.00 37.83 36.73 3i8e s LYS 879 CO 0.00 0.12 0.62 -1.17 -0.92 0.00 0.00 175.35 173.99 3i8e s LEU 880 N -0.06 4.52 -0.39 3.17 2.96 -0.92 -0.03 118.68 127.93 3i8e s LEU 880 Ca 0.01 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 3i8e s LEU 880 Cb -0.03 -3.03 0.15 0.00 0.50 0.00 0.00 46.19 43.77 3i8e s LEU 880 CO -0.00 0.24 0.25 -0.22 -1.32 0.00 0.00 176.35 175.30 3i8e s LEU 881 N -1.22 1.50 0.17 -0.68 2.96 -1.09 0.17 118.68 120.49 3i8e s LEU 881 Ca 0.32 -2.49 -0.06 0.00 -0.22 0.00 0.00 54.13 51.67 3i8e s LEU 881 Cb -0.20 -0.56 -0.06 0.00 0.50 0.00 0.00 46.19 45.87 3i8e s LEU 881 CO 0.20 -0.27 0.42 0.00 -1.32 0.00 0.00 176.35 175.39 3i8e s ALA 882 N 0.66 3.73 -0.25 5.97 0.00 0.08 -3.37 121.76 128.58 3i8e s ALA 882 Ca 0.21 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 3i8e s ALA 882 Cb -0.17 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 3i8e s ALA 882 CO -0.04 0.62 0.02 -1.54 0.00 0.00 0.00 175.76 174.82 3i8e s SER 883 N -2.45 4.74 -0.48 0.00 1.04 -0.88 -0.23 113.70 115.44 3i8e s SER 883 Ca 0.43 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.43 3i8e s SER 883 Cb -0.12 -1.82 0.14 0.00 0.10 0.00 0.00 66.02 64.33 3i8e s SER 883 CO 0.24 -0.08 0.28 -0.63 0.98 0.00 0.00 173.24 174.04 3i8e s ILE 884 N 1.51 1.60 -0.35 -1.02 1.01 0.16 -0.79 121.20 123.32 3i8e s ILE 884 Ca 0.05 -2.86 -0.24 0.00 0.00 0.00 0.00 60.65 57.59 3i8e s ILE 884 Cb -0.15 -2.10 0.04 0.00 0.01 0.00 0.00 42.46 40.25 3i8e s ILE 884 CO -0.00 -0.94 0.47 0.59 0.00 0.00 0.00 174.94 175.06 3i8e n ASN 885 N 3.22 -6.38 -1.52 3.58 4.13 -1.14 -2.74 115.26 114.41 3i8e n ASN 885 Ca 0.12 0.21 -0.16 0.00 1.68 0.00 0.00 54.58 56.43 3i8e n ASN 885 Cb 0.36 -2.64 -0.04 0.00 -1.54 0.00 0.00 39.78 35.92 3i8e n ASN 885 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3i8e n SER 886 N 0.16 -4.85 -3.48 6.41 7.64 -1.26 -4.96 113.62 113.28 3i8e n SER 886 Ca -0.02 0.19 -0.15 0.00 1.01 0.00 0.00 58.87 59.90 3i8e n SER 886 Cb 0.55 -3.86 -0.11 0.00 -1.01 0.00 0.00 64.21 59.77 3i8e n SER 886 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3i8e s THR 887 N -2.70 -0.42 -0.16 0.44 2.01 -1.11 -4.36 115.64 109.34 3i8e s THR 887 Ca 0.00 -0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 3i8e s THR 887 Cb 0.00 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 3i8e s THR 887 CO 0.00 -0.14 0.33 -0.69 -0.69 0.00 0.00 174.62 173.43 3i8e s VAL 888 N 2.40 5.28 -0.01 3.82 1.01 -0.13 0.37 120.40 133.14 3i8e s VAL 888 Ca 0.08 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.69 3i8e s VAL 888 Cb -0.15 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3i8e s VAL 888 CO -0.13 0.36 -0.04 -0.60 0.00 0.00 0.00 175.10 174.69 3i8e s ARG 889 N 0.64 0.35 -0.16 2.72 3.52 0.68 -0.06 118.95 126.65 3i8e s ARG 889 Ca 0.18 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.62 3i8e s ARG 889 Cb -0.14 -0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 32.87 3i8e s ARG 889 CO 0.05 0.06 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.40 3i8e s LEU 890 N 0.07 3.27 0.07 -0.88 2.96 -0.65 -0.74 118.68 122.78 3i8e s LEU 890 Ca -0.00 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 3i8e s LEU 890 Cb -0.04 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3i8e s LEU 890 CO -0.00 0.17 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.85 3i8e s TYR 891 N 0.38 2.93 0.37 5.38 1.51 0.45 -2.21 117.35 126.16 3i8e s TYR 891 Ca -0.04 -0.04 0.08 0.00 -1.01 0.00 0.00 57.07 56.06 3i8e s TYR 891 Cb -0.14 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.14 3i8e s TYR 891 CO 0.03 0.45 0.26 -1.21 -1.11 0.00 0.00 175.55 173.97 3i8e s GLU 892 N -2.06 2.49 -0.47 -0.62 2.02 -0.05 -2.17 118.70 117.84 3i8e s GLU 892 Ca 0.23 -1.52 0.04 0.00 0.02 0.00 0.00 54.97 53.73 3i8e s GLU 892 Cb -0.11 -2.29 0.12 0.00 0.10 0.00 0.00 34.13 31.95 3i8e s GLU 892 CO 0.15 -0.03 0.21 -0.46 0.02 0.00 0.00 175.26 175.15 3i8e s TRP 893 N -2.44 3.36 0.95 1.61 -0.00 -1.26 -2.47 118.94 118.69 3i8e s TRP 893 Ca 0.42 -3.10 -0.12 0.00 -0.00 0.00 0.00 56.10 53.30 3i8e s TRP 893 Cb -0.03 -2.87 0.09 0.00 -0.00 0.00 0.00 33.47 30.66 3i8e s TRP 893 CO 0.25 -0.81 0.70 0.25 -0.00 0.00 0.00 176.95 177.34 3i8e n THR 894 N 3.46 0.00 -0.25 5.86 -2.24 -0.83 -4.59 114.28 115.70 3i8e n THR 894 Ca 0.05 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 3i8e n THR 894 Cb 0.35 -0.78 0.04 0.00 -2.10 0.00 0.00 70.33 67.85 3i8e n THR 894 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3i8e h THR 895 N -1.75 1.24 0.00 4.28 1.35 -1.99 -2.80 112.91 113.25 3i8e h THR 895 Ca -0.44 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 3i8e h THR 895 Cb 1.28 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3i8e h THR 895 CO 0.37 0.30 0.00 -1.84 -0.25 0.00 0.00 175.52 174.11 3i8e n GLU 896 N -4.39 0.88 -3.36 4.72 -0.00 -1.26 -4.87 120.64 112.37 3i8e n GLU 896 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.16 57.06 3i8e n GLU 896 Cb 0.17 -1.44 0.03 0.00 -0.00 0.00 0.00 31.44 30.21 3i8e n GLU 896 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3i8e n LYS 897 N 0.05 -1.56 -3.82 3.44 5.02 -1.06 -5.06 118.16 115.18 3i8e n LYS 897 Ca 0.00 0.98 -0.11 0.00 -2.02 0.00 0.00 58.31 57.15 3i8e n LYS 897 Cb 0.22 -4.93 -0.08 0.00 -0.02 0.00 0.00 35.03 30.21 3i8e n LYS 897 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i8e s ASP 898 N -3.22 -0.04 -0.53 4.39 -1.08 -1.26 -4.88 116.67 110.06 3i8e s ASP 898 Ca 0.24 -0.22 -0.20 0.00 -0.52 0.00 0.00 52.55 51.85 3i8e s ASP 898 Cb -0.06 0.29 0.06 0.00 -1.46 0.00 0.00 42.92 41.76 3i8e s ASP 898 CO 0.79 -0.52 0.67 -0.69 0.52 0.00 0.00 175.17 175.95 3i8e s VAL 899 N -2.14 4.81 -0.06 1.11 1.01 -1.26 -1.97 120.40 121.91 3i8e s VAL 899 Ca -0.08 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 3i8e s VAL 899 Cb -0.03 -4.36 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 3i8e s VAL 899 CO -0.01 -0.90 0.43 -0.60 0.00 0.00 0.00 175.10 174.02 3i8e s ARG 900 N 2.78 4.13 0.25 2.72 3.52 -1.03 -4.90 118.95 126.41 3i8e s ARG 900 Ca 0.16 0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 3i8e s ARG 900 Cb -0.19 -3.33 -0.09 0.00 -1.56 0.00 0.00 34.95 29.78 3i8e s ARG 900 CO 0.12 0.44 1.09 0.99 -0.81 0.00 0.00 175.30 177.12 3i8e s THR 901 N -0.27 3.63 0.05 4.11 2.01 -1.26 -0.87 115.64 123.04 3i8e s THR 901 Ca 0.24 1.56 -0.00 0.00 0.31 0.00 0.00 61.69 63.80 3i8e s THR 901 Cb -0.16 -4.00 -0.00 0.00 0.01 0.00 0.00 72.50 68.35 3i8e s THR 901 CO 0.11 0.34 -0.00 1.21 -0.69 0.00 0.00 174.62 175.59 3i8e n GLU 902 N 1.58 0.01 -4.05 4.92 2.13 -0.94 -4.91 120.64 119.38 3i8e n GLU 902 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.75 3i8e n GLU 902 Cb 0.45 -0.51 -0.10 0.00 0.27 0.00 0.00 31.44 31.55 3i8e n GLU 902 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i8e s ASN 904 N -2.45 1.62 -0.12 0.00 0.01 -1.26 -1.63 114.94 111.10 3i8e s ASN 904 Ca -0.00 -0.75 -0.04 0.00 -0.71 0.00 0.00 52.86 51.37 3i8e s ASN 904 Cb 0.02 -0.03 0.05 0.00 0.41 0.00 0.00 41.25 41.70 3i8e s ASN 904 CO -0.07 -0.18 0.07 -2.28 -1.51 0.00 0.00 177.10 173.13 3i8e s HIS 905 N -1.99 0.23 -0.86 2.20 5.65 0.92 -4.66 115.29 116.76 3i8e s HIS 905 Ca 0.04 -0.13 0.22 0.00 0.25 0.00 0.00 55.06 55.44 3i8e s HIS 905 Cb -0.06 -0.64 -0.13 0.00 -1.18 0.00 0.00 32.58 30.58 3i8e s HIS 905 CO 0.01 -0.39 0.93 0.66 -0.65 0.00 0.00 174.74 175.31 3i8e n TYR 906 N 5.26 0.03 -1.88 3.88 4.02 -1.26 -0.95 117.16 126.26 3i8e n TYR 906 Ca -0.06 0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.42 3i8e n TYR 906 Cb 0.49 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 3i8e n TYR 906 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3i8e n ASN 907 N -1.63 4.09 -3.91 7.72 4.05 -1.26 -4.70 115.26 119.61 3i8e n ASN 907 Ca 0.03 -2.87 -0.11 0.00 0.45 0.00 0.00 54.58 52.08 3i8e n ASN 907 Cb 0.37 -1.66 -0.13 0.00 1.23 0.00 0.00 39.78 39.59 3i8e n ASN 907 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 3i8e s ASN 908 N 3.17 0.14 0.13 1.20 0.01 -1.26 -5.03 114.94 113.29 3i8e s ASN 908 Ca 0.47 -0.17 -0.01 0.00 -0.71 0.00 0.00 52.86 52.44 3i8e s ASN 908 Cb 0.12 0.03 -0.11 0.00 0.41 0.00 0.00 41.25 41.70 3i8e s ASN 908 CO -0.06 -0.09 1.29 -0.29 -1.51 0.00 0.00 177.10 176.44 3i8e h ILE 909 N 4.98 1.48 -0.20 0.60 6.09 -1.92 -3.42 117.51 125.11 3i8e h ILE 909 Ca -0.27 -2.72 0.25 0.00 -1.37 0.00 0.00 64.86 60.76 3i8e h ILE 909 Cb 1.21 2.59 -0.28 0.00 0.47 0.00 0.00 36.82 40.81 3i8e h ILE 909 CO 0.48 0.80 0.53 -0.32 -3.07 0.00 0.00 178.15 176.56 3i8e s MET 910 N -3.06 0.05 -1.07 2.19 1.75 -1.26 -4.66 119.30 113.24 3i8e s MET 910 Ca -0.04 0.12 -0.15 0.00 -1.25 0.00 0.00 55.69 54.37 3i8e s MET 910 Cb 0.09 0.07 0.17 0.00 2.84 0.00 0.00 34.83 37.99 3i8e s MET 910 CO 0.85 -0.02 1.25 0.00 -0.65 0.00 0.00 175.02 176.46 3i8e s ALA 911 N 2.03 3.81 0.15 4.11 0.00 -1.26 -0.20 121.76 130.40 3i8e s ALA 911 Ca 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 51.96 48.81 3i8e s ALA 911 Cb -0.01 -4.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 3i8e s ALA 911 CO -0.16 -2.79 1.36 -0.07 0.00 0.00 0.00 175.76 174.10 3i8e h LEU 912 N 9.66 0.33 -8.47 0.00 3.38 -1.93 -3.43 115.31 114.85 3i8e h LEU 912 Ca 0.23 -0.26 -0.55 0.00 0.09 0.00 0.00 57.88 57.39 3i8e h LEU 912 Cb 0.94 -0.10 -0.26 0.00 0.09 0.00 0.00 40.66 41.33 3i8e h LEU 912 CO 1.14 1.07 -0.83 -0.31 0.09 0.00 0.00 178.44 179.60 3i8e s TYR 913 N -3.22 1.66 -0.07 1.13 1.51 -1.26 -4.30 117.35 112.79 3i8e s TYR 913 Ca -0.04 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 3i8e s TYR 913 Cb 0.10 -1.00 0.04 0.00 -0.11 0.00 0.00 41.96 40.99 3i8e s TYR 913 CO 0.84 0.06 0.14 -0.51 -1.11 0.00 0.00 175.55 174.97 3i8e s LEU 914 N -1.05 0.57 0.01 -1.29 1.43 -1.24 -3.87 118.68 113.24 3i8e s LEU 914 Ca 0.06 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 3i8e s LEU 914 Cb -0.08 0.33 -0.01 0.00 0.03 0.00 0.00 46.19 46.45 3i8e s LEU 914 CO 0.01 -0.17 -0.07 -0.54 0.23 0.00 0.00 176.35 175.81 3i8e s LYS 915 N 1.39 0.53 -0.22 1.70 -0.14 -1.18 -4.74 119.74 117.08 3i8e s LYS 915 Ca -0.07 -0.44 0.01 0.00 -1.36 0.00 0.00 55.97 54.12 3i8e s LYS 915 Cb -0.12 -0.45 0.03 0.00 -1.68 0.00 0.00 37.83 35.62 3i8e s LYS 915 CO -0.06 0.11 -0.14 0.99 -0.76 0.00 0.00 175.35 175.49 3i8e s THR 916 N -0.60 2.29 -0.49 2.17 2.01 -1.26 -2.75 115.64 117.00 3i8e s THR 916 Ca -0.02 -1.13 -0.28 0.00 0.31 0.00 0.00 61.69 60.57 3i8e s THR 916 Cb -0.05 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.35 3i8e s THR 916 CO 0.00 0.32 1.55 -0.75 -0.69 0.00 0.00 174.62 175.04 3i8e s LYS 917 N 1.25 3.27 0.00 4.92 2.36 -1.22 -4.80 119.74 125.52 3i8e s LYS 917 Ca 0.00 0.76 0.00 0.00 -2.55 0.00 0.00 55.97 54.19 3i8e s LYS 917 Cb -0.16 -4.15 0.00 0.00 -1.05 0.00 0.00 37.83 32.47 3i8e s LYS 917 CO -0.09 -1.95 0.00 0.41 1.55 0.00 0.00 175.35 175.27 3i8e n GLY 918 N 5.31 0.00 0.00 5.54 0.00 -1.26 -3.77 105.19 111.01 3i8e n GLY 918 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3i8e n GLY 918 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i8e n ASP 919 N -0.19 0.00 -3.16 1.61 2.03 -1.26 -4.94 116.55 110.64 3i8e n ASP 919 Ca 0.00 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 3i8e n ASP 919 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 3i8e n ASP 919 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i8e n PHE 920 N 0.00 2.93 -3.90 -0.67 3.72 -1.25 -4.92 117.46 113.38 3i8e n PHE 920 Ca 0.00 -3.98 -0.10 0.00 -0.05 0.00 0.00 57.45 53.31 3i8e n PHE 920 Cb 0.00 -0.49 -0.10 0.00 -0.94 0.00 0.00 39.48 37.95 3i8e n PHE 920 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i8e s ILE 921 N -3.19 0.10 0.15 4.37 1.01 -1.26 -3.04 121.20 119.35 3i8e s ILE 921 Ca 0.43 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 3i8e s ILE 921 Cb 0.24 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 42.13 3i8e s ILE 921 CO -0.09 -0.46 0.25 -0.76 0.00 0.00 0.00 174.94 173.88 3i8e s LEU 922 N -1.63 1.11 -0.12 2.97 1.02 0.61 -3.41 118.68 119.22 3i8e s LEU 922 Ca -0.12 -0.89 -0.26 0.00 0.02 0.00 0.00 54.13 52.88 3i8e s LEU 922 Cb -0.06 1.06 0.06 0.00 0.02 0.00 0.00 46.19 47.28 3i8e s LEU 922 CO -0.01 -0.86 0.63 0.54 0.02 0.00 0.00 176.35 176.68 3i8e s VAL 923 N -3.97 0.01 0.00 -1.59 0.11 -1.11 -1.76 120.40 112.09 3i8e s VAL 923 Ca 0.17 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 3i8e s VAL 923 Cb 0.04 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 3i8e s VAL 923 CO -0.01 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 3i8e n GLY 924 N 1.64 0.23 0.00 6.54 0.00 -1.21 -3.13 105.19 109.27 3i8e n GLY 924 Ca -0.17 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3i8e n GLY 924 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i8e n ASP 925 N 0.00 0.00 -0.06 1.61 2.03 -1.25 -3.11 116.55 115.78 3i8e n ASP 925 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 3i8e n ASP 925 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 3i8e n ASP 925 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3i8e h LEU 926 N 0.00 0.00 -3.01 -2.67 5.85 -0.84 -3.39 115.31 111.25 3i8e h LEU 926 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i8e h LEU 926 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3i8e h LEU 926 CO 0.00 0.59 0.00 1.15 -0.34 0.00 0.00 178.44 179.84 3i8e n MET 927 N -4.67 2.57 -2.72 1.25 0.00 -1.26 -1.72 117.12 110.57 3i8e n MET 927 Ca -0.03 -2.02 -0.06 0.00 0.00 0.00 0.00 57.70 55.59 3i8e n MET 927 Cb 0.11 -1.27 0.04 0.00 0.00 0.00 0.00 33.22 32.10 3i8e n MET 927 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3i8e n ARG 928 N -0.49 1.34 0.00 3.17 1.74 -1.21 -4.25 116.66 116.96 3i8e n ARG 928 Ca 0.09 -3.22 0.00 0.00 -0.77 0.00 0.00 57.85 53.95 3i8e n ARG 928 Cb 0.45 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 3i8e n ARG 928 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i8e n SER 929 N -0.30 0.00 -4.43 0.55 3.41 -0.78 -4.75 113.62 107.32 3i8e n SER 929 Ca 0.07 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.47 3i8e n SER 929 Cb 0.82 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.66 3i8e n SER 929 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3i8e s VAL 930 N 0.00 1.56 -0.04 -3.33 -7.23 -1.26 -3.86 120.40 106.23 3i8e s VAL 930 Ca 0.00 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.09 3i8e s VAL 930 Cb 0.00 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.46 3i8e s VAL 930 CO 0.00 -0.27 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.66 3i8e s LEU 931 N -3.44 1.70 -0.19 1.32 1.02 -1.18 -1.84 118.68 116.06 3i8e s LEU 931 Ca 0.30 -0.24 -0.11 0.00 0.02 0.00 0.00 54.13 54.11 3i8e s LEU 931 Cb 0.05 -0.68 -0.05 0.00 0.02 0.00 0.00 46.19 45.52 3i8e s LEU 931 CO 0.12 0.05 0.17 -0.22 0.02 0.00 0.00 176.35 176.49 3i8e s LEU 932 N 0.41 4.21 0.02 1.79 2.96 0.41 -3.29 118.68 125.19 3i8e s LEU 932 Ca -0.08 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3i8e s LEU 932 Cb -0.12 -2.15 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 3i8e s LEU 932 CO 0.02 0.15 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.37 3i8e s LEU 933 N 0.44 2.12 -0.03 -0.68 1.02 -0.72 -1.69 118.68 119.15 3i8e s LEU 933 Ca 0.10 -0.32 0.04 0.00 0.02 0.00 0.00 54.13 53.98 3i8e s LEU 933 Cb -0.12 -0.27 -0.03 0.00 0.02 0.00 0.00 46.19 45.80 3i8e s LEU 933 CO -0.00 -0.05 -0.15 0.00 0.02 0.00 0.00 176.35 176.17 3i8e s ALA 934 N -0.70 2.66 0.34 4.21 0.00 -1.05 -0.29 121.76 126.92 3i8e s ALA 934 Ca -0.03 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 3i8e s ALA 934 Cb -0.06 -0.92 -0.09 0.00 0.00 0.00 0.00 23.12 22.06 3i8e s ALA 934 CO 0.00 0.56 0.74 -0.47 0.00 0.00 0.00 175.76 176.60 3i8e s TYR 935 N -0.79 3.39 -0.22 0.00 5.04 -1.17 -2.67 117.35 120.93 3i8e s TYR 935 Ca 0.13 1.19 0.01 0.00 -2.44 0.00 0.00 57.07 55.95 3i8e s TYR 935 Cb -0.11 -2.52 0.05 0.00 0.35 0.00 0.00 41.96 39.74 3i8e s TYR 935 CO 0.02 0.06 -0.06 0.15 -1.34 0.00 0.00 175.55 174.38 3i8e s LYS 936 N -3.12 1.68 0.00 4.97 -0.14 -0.82 -4.91 119.74 117.39 3i8e s LYS 936 Ca 0.54 -0.90 0.06 0.00 -1.36 0.00 0.00 55.97 54.31 3i8e s LYS 936 Cb -0.10 -2.48 0.33 0.00 -1.68 0.00 0.00 37.83 33.89 3i8e s LYS 936 CO 0.20 -0.54 0.96 -0.35 -0.76 0.00 0.00 175.35 174.86 3i8e n PRO 937 N 4.70 0.13 -0.05 -1.68 -0.04 -1.26 0.62 135.00 137.41 3i8e n PRO 937 Ca -0.13 0.14 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 3i8e n PRO 937 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 3i8e n PRO 937 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 3i8e h MET 938 N 0.00 -0.12 0.00 0.54 -1.53 -1.95 -3.40 114.93 108.47 3i8e h MET 938 Ca 0.00 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 3i8e h MET 938 Cb 0.04 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.11 3i8e h MET 938 CO 0.00 -0.08 0.00 -0.85 0.14 0.00 0.00 176.91 176.12 3i8e n GLU 939 N -3.55 0.00 -2.42 0.39 0.28 -1.10 -5.04 120.64 109.20 3i8e n GLU 939 Ca -0.01 -0.42 -0.05 0.00 -0.16 0.00 0.00 57.16 56.52 3i8e n GLU 939 Cb 0.11 -0.46 0.02 0.00 1.43 0.00 0.00 31.44 32.54 3i8e n GLU 939 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i8e n GLY 940 N 0.00 -0.44 3.20 -1.84 0.00 0.20 -5.07 105.19 101.24 3i8e n GLY 940 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3i8e n GLY 940 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i8e s ASN 941 N -2.97 0.23 0.15 1.61 3.04 -1.21 -4.64 114.94 111.14 3i8e s ASN 941 Ca 0.16 -0.98 0.02 0.00 0.04 0.00 0.00 52.86 52.11 3i8e s ASN 941 Cb -0.02 0.32 -0.04 0.00 -1.54 0.00 0.00 41.25 39.98 3i8e s ASN 941 CO 0.41 -0.75 0.27 -0.36 -3.04 0.00 0.00 177.10 173.63 3i8e s PHE 942 N -3.97 3.47 -0.22 0.43 0.40 -1.26 -1.95 117.98 114.88 3i8e s PHE 942 Ca 0.16 0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.56 3i8e s PHE 942 Cb 0.06 -1.66 0.11 0.00 0.51 0.00 0.00 43.02 42.04 3i8e s PHE 942 CO -0.03 0.52 0.39 -2.00 0.70 0.00 0.00 175.22 174.80 3i8e s GLU 943 N -3.20 0.33 -0.89 0.44 2.12 -1.09 -5.02 118.70 111.39 3i8e s GLU 943 Ca 0.34 0.76 -0.25 0.00 0.36 0.00 0.00 54.97 56.18 3i8e s GLU 943 Cb -0.11 -0.11 -0.01 0.00 0.26 0.00 0.00 34.13 34.16 3i8e s GLU 943 CO 0.28 -0.46 1.72 -2.00 -0.54 0.00 0.00 175.26 174.26 3i8e s GLU 944 N 2.57 2.95 0.05 4.30 2.12 -1.26 -2.54 118.70 126.89 3i8e s GLU 944 Ca 0.06 -0.44 -0.21 0.00 0.36 0.00 0.00 54.97 54.75 3i8e s GLU 944 Cb -0.14 -4.99 -0.10 0.00 0.26 0.00 0.00 34.13 29.16 3i8e s GLU 944 CO -0.14 -2.81 1.33 0.82 -0.54 0.00 0.00 175.26 173.91 3i8e h ILE 945 N 6.96 0.00 -3.45 -3.70 2.04 -1.68 -3.47 117.51 114.21 3i8e h ILE 945 Ca 0.05 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 3i8e h ILE 945 Cb 1.03 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.97 3i8e h ILE 945 CO 1.29 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 179.28 3i8e s ALA 946 N -4.78 -0.75 0.08 1.87 0.00 -1.09 -4.49 121.76 112.60 3i8e s ALA 946 Ca -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 3i8e s ALA 946 Cb 0.03 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 3i8e s ALA 946 CO 0.35 -0.58 0.00 -0.98 0.00 0.00 0.00 175.76 174.56 3i8e s ARG 947 N -3.60 0.73 -0.00 0.00 1.70 -0.99 0.16 118.95 116.94 3i8e s ARG 947 Ca 0.02 -1.30 -0.22 0.00 -0.47 0.00 0.00 55.73 53.76 3i8e s ARG 947 Cb 0.02 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 3i8e s ARG 947 CO -0.10 -0.17 0.64 0.34 -1.08 0.00 0.00 175.30 174.93 3i8e s ASP 948 N -2.97 7.02 -0.98 -2.89 2.15 -0.77 -1.93 116.67 116.31 3i8e s ASP 948 Ca 0.13 1.22 -0.12 0.00 0.43 0.00 0.00 52.55 54.21 3i8e s ASP 948 Cb 0.08 -2.39 0.24 0.00 -0.30 0.00 0.00 42.92 40.55 3i8e s ASP 948 CO -0.06 0.06 0.97 -0.36 -0.17 0.00 0.00 175.17 175.62 3i8e s PHE 949 N -0.06 3.95 -0.26 -5.34 0.40 -1.26 -4.61 117.98 110.80 3i8e s PHE 949 Ca 0.33 -2.28 -0.27 0.00 -0.60 0.00 0.00 56.93 54.12 3i8e s PHE 949 Cb -0.19 -3.88 0.14 0.00 0.51 0.00 0.00 43.02 39.61 3i8e s PHE 949 CO 0.18 -1.02 1.13 -0.80 0.70 0.00 0.00 175.22 175.42 3i8e s ASN 950 N 1.90 -0.32 -1.24 1.36 0.02 -1.26 -5.09 114.94 110.31 3i8e s ASN 950 Ca 0.26 0.54 -0.09 0.00 -1.02 0.00 0.00 52.86 52.54 3i8e s ASN 950 Cb -0.09 0.52 0.19 0.00 0.02 0.00 0.00 41.25 41.88 3i8e s ASN 950 CO -0.08 -0.16 1.75 -0.81 0.02 0.00 0.00 177.10 177.82 3i8e n PRO 951 N 1.60 3.68 -3.41 -0.60 -0.05 -1.26 -3.01 135.00 131.94 3i8e n PRO 951 Ca -0.11 -3.71 -0.38 0.00 -0.05 0.00 0.00 63.50 59.25 3i8e n PRO 951 Cb 0.57 -2.89 -0.08 0.00 -0.05 0.00 0.00 33.50 31.05 3i8e n PRO 951 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 3i8e s ASN 952 N 0.87 6.42 -0.82 3.54 0.01 -1.26 -4.87 114.94 118.83 3i8e s ASN 952 Ca 0.39 0.50 -0.22 0.00 -0.71 0.00 0.00 52.86 52.81 3i8e s ASN 952 Cb 0.07 -2.22 0.08 0.00 0.41 0.00 0.00 41.25 39.59 3i8e s ASN 952 CO 0.01 -0.05 1.15 0.26 -1.51 0.00 0.00 177.10 176.96 3i8e s TRP 953 N 1.21 2.73 0.71 2.20 0.52 -1.26 -1.87 118.94 123.17 3i8e s TRP 953 Ca 0.18 -0.79 -0.15 0.00 0.02 0.00 0.00 56.10 55.36 3i8e s TRP 953 Cb -0.15 -4.41 0.03 0.00 -1.15 0.00 0.00 33.47 27.79 3i8e s TRP 953 CO 0.07 -1.72 1.19 -1.64 0.02 0.00 0.00 176.95 174.88 3i8e s MET 954 N 4.06 2.30 0.00 4.98 -1.94 -0.70 -1.56 119.30 126.43 3i8e s MET 954 Ca 0.32 1.72 0.00 0.00 -1.71 0.00 0.00 55.69 56.01 3i8e s MET 954 Cb -0.09 -1.86 0.00 0.00 2.01 0.00 0.00 34.83 34.90 3i8e s MET 954 CO 0.01 -1.71 0.00 -1.13 -0.01 0.00 0.00 175.02 172.18 3i8e n SER 955 N -2.58 0.00 -3.79 3.03 3.41 -0.14 -4.75 113.62 108.80 3i8e n SER 955 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 3i8e n SER 955 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 3i8e n SER 955 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8e s ALA 956 N -0.41 -0.63 -0.01 7.33 0.00 -1.20 -4.64 121.76 122.20 3i8e s ALA 956 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3i8e s ALA 956 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3i8e s ALA 956 CO 0.00 -0.20 0.00 0.08 0.00 0.00 0.00 175.76 175.64 3i8e s VAL 957 N -0.76 0.07 -0.04 0.00 1.01 -1.26 -2.17 120.40 117.25 3i8e s VAL 957 Ca -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3i8e s VAL 957 Cb -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.23 3i8e s VAL 957 CO 0.02 0.06 0.12 -0.70 0.00 0.00 0.00 175.10 174.60 3i8e s GLU 958 N 0.42 0.17 -0.34 2.72 2.56 -0.45 -4.78 118.70 119.00 3i8e s GLU 958 Ca -0.04 0.11 -0.20 0.00 0.00 0.00 0.00 54.97 54.84 3i8e s GLU 958 Cb -0.06 0.08 -0.00 0.00 2.00 0.00 0.00 34.13 36.15 3i8e s GLU 958 CO -0.01 -0.02 0.59 0.42 -0.56 0.00 0.00 175.26 175.68 3i8e s ILE 959 N -0.08 4.94 -0.06 -3.70 1.01 -1.26 -0.52 121.20 121.53 3i8e s ILE 959 Ca -0.02 0.55 -0.24 0.00 0.00 0.00 0.00 60.65 60.95 3i8e s ILE 959 Cb -0.02 -4.02 -0.28 0.00 0.01 0.00 0.00 42.46 38.15 3i8e s ILE 959 CO 0.00 -0.25 0.91 -0.07 0.00 0.00 0.00 174.94 175.53 3i8e h LEU 960 N 9.24 0.34 -7.98 2.97 3.38 -1.65 -3.49 115.31 118.11 3i8e h LEU 960 Ca -0.27 -0.92 0.03 0.00 0.09 0.00 0.00 57.88 56.81 3i8e h LEU 960 Cb 1.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3i8e h LEU 960 CO 0.81 1.23 0.30 1.51 0.09 0.00 0.00 178.44 182.38 3i8e s ASP 961 N -6.69 -0.06 0.64 -0.43 3.84 -1.07 -4.98 116.67 107.92 3i8e s ASP 961 Ca -0.15 -0.96 0.24 0.00 -0.00 0.00 0.00 52.55 51.68 3i8e s ASP 961 Cb 0.00 0.78 1.24 0.00 -1.38 0.00 0.00 42.92 43.56 3i8e s ASP 961 CO 0.79 -1.52 1.70 0.44 -0.00 0.00 0.00 175.17 176.57 3i8e h ASP 962 N 2.00 0.00 0.00 2.11 5.19 -2.00 -2.92 116.42 120.80 3i8e h ASP 962 Ca -0.29 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.96 3i8e h ASP 962 Cb 1.25 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.73 3i8e h ASP 962 CO 0.36 0.00 -1.60 0.47 -3.12 0.00 0.00 179.24 175.35 3i8e n ASP 963 N -3.03 2.89 -4.67 6.45 9.92 -1.26 -4.98 116.55 121.87 3i8e n ASP 963 Ca 0.03 -0.03 -0.37 0.00 -0.53 0.00 0.00 54.79 53.88 3i8e n ASP 963 Cb 0.64 -0.19 -0.08 0.00 -0.64 0.00 0.00 41.12 40.85 3i8e n ASP 963 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3i8e s ASN 964 N -5.14 6.29 -0.06 -2.24 -0.87 -1.10 -3.58 114.94 108.23 3i8e s ASN 964 Ca -0.14 0.32 0.05 0.00 -1.57 0.00 0.00 52.86 51.52 3i8e s ASN 964 Cb 0.04 -2.17 -0.01 0.00 -0.02 0.00 0.00 41.25 39.09 3i8e s ASN 964 CO 0.24 0.01 -0.22 -0.36 -2.57 0.00 0.00 177.10 174.20 3i8e s PHE 965 N 1.09 2.52 -0.11 2.20 2.99 0.16 -1.55 117.98 125.27 3i8e s PHE 965 Ca 0.13 -0.61 -0.04 0.00 0.00 0.00 0.00 56.93 56.40 3i8e s PHE 965 Cb -0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 43.02 41.21 3i8e s PHE 965 CO 0.06 -0.15 0.05 -1.17 -0.00 0.00 0.00 175.22 174.01 3i8e s LEU 966 N -0.21 3.84 0.24 -0.37 0.20 0.33 -0.29 118.68 122.43 3i8e s LEU 966 Ca -0.02 0.22 0.06 0.00 0.69 0.00 0.00 54.13 55.08 3i8e s LEU 966 Cb -0.13 -1.91 -0.05 0.00 -0.43 0.00 0.00 46.19 43.66 3i8e s LEU 966 CO 0.03 0.35 -0.06 -0.83 -0.29 0.00 0.00 176.35 175.55 3i8e s GLY 967 N -0.67 1.63 -0.12 7.98 0.00 -0.11 -1.35 107.32 114.69 3i8e s GLY 967 Ca 0.11 -1.79 -0.09 0.00 0.00 0.00 0.00 44.72 42.95 3i8e s GLY 967 CO 0.02 -1.76 0.30 0.00 0.00 0.00 0.00 173.10 171.67 3i8e s ALA 968 N -3.16 -0.73 0.12 3.20 0.00 -0.92 -2.46 121.76 117.81 3i8e s ALA 968 Ca 0.27 0.97 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 3i8e s ALA 968 Cb 0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 3i8e s ALA 968 CO 0.09 -0.17 0.07 -1.83 0.00 0.00 0.00 175.76 173.92 3i8e s GLU 969 N 0.60 0.89 0.00 0.00 1.03 -0.97 -0.96 118.70 119.29 3i8e s GLU 969 Ca -0.04 -1.35 0.00 0.00 0.03 0.00 0.00 54.97 53.61 3i8e s GLU 969 Cb -0.05 0.26 0.00 0.00 -0.80 0.00 0.00 34.13 33.54 3i8e s GLU 969 CO -0.04 -0.25 0.61 0.09 -1.33 0.00 0.00 175.26 174.34 3i8e n ASN 970 N -0.07 0.00 -1.14 0.83 4.13 -0.60 -0.33 115.26 118.09 3i8e n ASN 970 Ca -0.08 0.17 0.10 0.00 1.68 0.00 0.00 54.58 56.46 3i8e n ASN 970 Cb 0.63 -0.17 0.25 0.00 -1.54 0.00 0.00 39.78 38.95 3i8e n ASN 970 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i8e n ALA 971 N -1.11 2.35 -2.89 5.41 0.00 -1.26 -4.98 120.51 118.04 3i8e n ALA 971 Ca 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 53.44 52.16 3i8e n ALA 971 Cb 0.06 -0.80 0.06 0.00 0.00 0.00 0.00 19.45 18.77 3i8e n ALA 971 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i8e n PHE 972 N 1.36 -1.47 -4.63 0.00 3.01 0.56 -4.90 117.46 111.39 3i8e n PHE 972 Ca 0.20 0.61 -0.24 0.00 1.01 0.00 0.00 57.45 59.03 3i8e n PHE 972 Cb 0.57 -3.94 -0.14 0.00 -0.01 0.00 0.00 39.48 35.95 3i8e n PHE 972 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i8e s ASN 973 N -3.78 2.17 -0.11 4.37 0.01 -1.22 -1.84 114.94 114.55 3i8e s ASN 973 Ca 0.05 -0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.71 3i8e s ASN 973 Cb -0.01 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 3i8e s ASN 973 CO 0.48 0.15 0.05 -0.76 -1.51 0.00 0.00 177.10 175.50 3i8e s LEU 974 N -0.95 3.82 0.02 0.60 1.43 0.24 -2.28 118.68 121.56 3i8e s LEU 974 Ca 0.06 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3i8e s LEU 974 Cb -0.08 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 3i8e s LEU 974 CO 0.01 0.36 -0.06 0.72 0.23 0.00 0.00 176.35 177.61 3i8e s PHE 975 N -0.76 0.49 0.02 0.29 -0.12 -1.03 -2.32 117.98 114.55 3i8e s PHE 975 Ca 0.12 -0.38 0.01 0.00 -0.05 0.00 0.00 56.93 56.64 3i8e s PHE 975 Cb -0.12 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.93 3i8e s PHE 975 CO 0.03 -0.08 0.04 0.08 -0.05 0.00 0.00 175.22 175.24 3i8e s VAL 976 N -1.01 4.42 -0.02 -2.49 1.01 0.10 -0.93 120.40 121.49 3i8e s VAL 976 Ca -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3i8e s VAL 976 Cb -0.07 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 3i8e s VAL 976 CO -0.00 0.31 -0.08 0.00 0.00 0.00 0.00 175.10 175.33 3i8e s GLN 978 N 0.04 0.87 0.23 0.00 -2.07 -1.10 0.37 119.66 118.00 3i8e s GLN 978 Ca -0.00 -1.07 -0.30 0.00 -1.82 0.00 0.00 55.36 52.17 3i8e s GLN 978 Cb -0.06 -0.77 -0.09 0.00 -1.09 0.00 0.00 33.01 31.00 3i8e s GLN 978 CO -0.00 0.15 1.20 -1.59 -1.32 0.00 0.00 175.29 173.74 3i8e s LYS 979 N -2.22 4.50 0.34 9.60 0.00 -1.23 -2.53 119.74 128.18 3i8e s LYS 979 Ca 0.02 1.92 -0.29 0.00 0.00 0.00 0.00 55.97 57.63 3i8e s LYS 979 Cb -0.07 -3.20 -0.11 0.00 0.00 0.00 0.00 37.83 34.45 3i8e s LYS 979 CO 0.02 -0.05 1.39 0.34 0.00 0.00 0.00 175.35 177.05 3i8e s ASP 980 N -0.15 6.60 -0.78 0.03 2.15 -1.26 -4.93 116.67 118.35 3i8e s ASP 980 Ca 0.51 2.82 0.00 0.00 0.43 0.00 0.00 52.55 56.31 3i8e s ASP 980 Cb -0.34 -2.65 0.36 0.00 -0.30 0.00 0.00 42.92 39.99 3i8e s ASP 980 CO 0.40 -0.68 1.69 -1.20 -0.17 0.00 0.00 175.17 175.20 3i8e n SER 981 N 0.90 6.60 -4.71 -0.34 7.64 -1.26 -4.87 113.62 117.59 3i8e n SER 981 Ca 0.01 -3.77 -0.25 0.00 1.01 0.00 0.00 58.87 55.88 3i8e n SER 981 Cb 0.41 -0.91 -0.07 0.00 -1.01 0.00 0.00 64.21 62.63 3i8e n SER 981 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8e s ALA 982 N -3.96 3.33 1.10 -0.43 0.00 -1.26 -5.14 121.76 115.39 3i8e s ALA 982 Ca 0.48 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 3i8e s ALA 982 Cb 0.36 -1.07 0.24 0.00 0.00 0.00 0.00 23.12 22.65 3i8e s ALA 982 CO -0.28 0.41 1.16 0.00 0.00 0.00 0.00 175.76 177.04 3i8e s ALA 983 N -1.91 1.12 -0.34 0.00 0.00 -1.26 -4.70 121.76 114.66 3i8e s ALA 983 Ca 0.30 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 3i8e s ALA 983 Cb -0.09 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.15 3i8e s ALA 983 CO 0.21 -3.13 0.34 0.25 0.00 0.00 0.00 175.76 173.43 3i8e n THR 984 N -4.38 -9.36 -1.07 0.00 -2.24 -1.26 -4.76 114.28 91.20 3i8e n THR 984 Ca 0.12 1.06 -0.15 0.00 -2.27 0.00 0.00 64.05 62.82 3i8e n THR 984 Cb 0.59 -6.15 0.24 0.00 -2.10 0.00 0.00 70.33 62.91 3i8e n THR 984 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i8e n THR 985 N 0.24 3.02 -1.55 4.28 -2.24 -1.26 -3.67 114.28 113.10 3i8e n THR 985 Ca 0.04 -1.72 -0.03 0.00 -2.27 0.00 0.00 64.05 60.07 3i8e n THR 985 Cb 0.34 -0.43 0.19 0.00 -2.10 0.00 0.00 70.33 68.33 3i8e n THR 985 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i8e n ASP 986 N -0.61 2.47 0.11 3.42 9.92 -1.26 -4.42 116.55 126.19 3i8e n ASP 986 Ca 0.49 -3.84 0.00 0.00 -0.53 0.00 0.00 54.79 50.92 3i8e n ASP 986 Cb 1.51 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 41.40 3i8e n ASP 986 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3i8e n GLU 987 N -1.09 0.00 0.23 -1.24 4.07 -1.26 -4.88 120.64 116.47 3i8e n GLU 987 Ca 0.30 0.00 0.16 0.00 -0.06 0.00 0.00 57.16 57.56 3i8e n GLU 987 Cb 0.90 0.00 0.70 0.00 -0.06 0.00 0.00 31.44 32.98 3i8e n GLU 987 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3i8e h GLU 988 N 0.00 0.00 0.12 5.31 5.08 -1.86 -2.40 114.58 120.83 3i8e h GLU 988 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 3i8e h GLU 988 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3i8e h GLU 988 CO 0.00 0.00 -1.63 -0.09 -1.00 0.00 0.00 179.01 176.29 3i8e h ARG 989 N 0.00 0.25 0.00 2.33 9.65 -1.77 -3.35 114.38 121.48 3i8e h ARG 989 Ca 0.00 -0.43 -0.04 0.00 -1.10 0.00 0.00 59.98 58.41 3i8e h ARG 989 Cb 0.32 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3i8e h ARG 989 CO 0.00 1.10 -0.21 0.37 2.80 0.00 0.00 179.97 184.03 3i8e h GLN 990 N 0.07 0.00 -5.56 0.20 5.75 -1.66 -3.43 115.11 110.48 3i8e h GLN 990 Ca -0.28 0.00 -0.59 0.00 -0.15 0.00 0.00 58.65 57.63 3i8e h GLN 990 Cb 2.03 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 30.48 3i8e h GLN 990 CO 0.15 0.21 -0.22 -1.01 -2.65 0.00 0.00 178.83 175.31 3i8e s HIS 991 N -4.44 3.46 -0.34 3.99 3.76 -1.15 -2.36 115.29 118.22 3i8e s HIS 991 Ca -0.03 0.71 -0.07 0.00 -0.15 0.00 0.00 55.06 55.51 3i8e s HIS 991 Cb 0.15 -2.47 0.03 0.00 1.11 0.00 0.00 32.58 31.40 3i8e s HIS 991 CO 0.68 0.15 0.12 -0.48 -0.85 0.00 0.00 174.74 174.35 3i8e s LEU 992 N 0.75 4.30 0.42 0.89 0.05 -0.81 -4.01 118.68 120.27 3i8e s LEU 992 Ca 0.21 -1.04 -0.24 0.00 0.05 0.00 0.00 54.13 53.10 3i8e s LEU 992 Cb -0.14 -1.90 -0.08 0.00 -2.05 0.00 0.00 46.19 42.02 3i8e s LEU 992 CO 0.07 -0.31 1.18 -1.10 -0.55 0.00 0.00 176.35 175.64 3i8e s GLN 993 N 1.44 3.95 -0.77 1.48 1.11 -1.05 -4.48 119.66 121.34 3i8e s GLN 993 Ca -0.00 1.84 -0.26 0.00 0.01 0.00 0.00 55.36 56.94 3i8e s GLN 993 Cb -0.19 -2.59 0.03 0.00 -1.01 0.00 0.00 33.01 29.25 3i8e s GLN 993 CO 0.03 -0.41 1.38 -1.21 0.01 0.00 0.00 175.29 175.09 3i8e s GLU 994 N -2.43 3.17 0.27 2.91 2.02 -1.26 -2.70 118.70 120.68 3i8e s GLU 994 Ca 0.59 -0.27 0.23 0.00 0.02 0.00 0.00 54.97 55.55 3i8e s GLU 994 Cb -0.30 -4.38 0.29 0.00 0.10 0.00 0.00 34.13 29.84 3i8e s GLU 994 CO 0.38 -2.24 1.39 -0.39 0.02 0.00 0.00 175.26 174.42 3i8e h VAL 995 N 6.25 0.00 -2.68 2.63 -1.51 -1.74 -3.45 116.25 115.75 3i8e h VAL 995 Ca -0.21 -0.83 -0.27 0.00 -1.23 0.00 0.00 66.70 64.16 3i8e h VAL 995 Cb 1.06 1.59 -0.34 0.00 -2.13 0.00 0.00 31.29 31.46 3i8e h VAL 995 CO 1.29 0.00 -0.59 -0.83 -1.23 0.00 0.00 177.57 176.22 3i8e s GLY 996 N -4.07 -0.05 0.41 5.19 0.00 -1.18 -4.55 107.32 103.07 3i8e s GLY 996 Ca 0.05 0.57 0.08 0.00 0.00 0.00 0.00 44.72 45.41 3i8e s GLY 996 CO 0.71 2.05 0.49 1.08 0.00 0.00 0.00 173.10 177.43 3i8e s LEU 997 N 2.37 3.57 0.00 0.66 1.43 -1.15 0.02 118.68 125.58 3i8e s LEU 997 Ca 0.05 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3i8e s LEU 997 Cb -0.14 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.65 3i8e s LEU 997 CO -0.10 -0.70 0.00 0.33 0.23 0.00 0.00 176.35 176.11 3i8e n PHE 998 N -1.72 0.00 -2.68 0.29 7.35 -0.98 -2.89 117.46 116.82 3i8e n PHE 998 Ca 0.06 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.32 3i8e n PHE 998 Cb 0.60 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.40 3i8e n PHE 998 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i8e s HIS 999 N 0.00 2.77 0.01 -5.13 5.65 -0.78 -0.59 115.29 117.22 3i8e s HIS 999 Ca 0.00 0.43 -0.25 0.00 0.25 0.00 0.00 55.06 55.48 3i8e s HIS 999 Cb 0.00 -4.30 -0.17 0.00 -1.18 0.00 0.00 32.58 26.93 3i8e s HIS 999 CO 0.00 -1.35 1.25 1.25 -0.65 0.00 0.00 174.74 175.24 3i8e h LEU 1000N 11.26 -0.34 0.00 8.88 6.46 -1.70 -3.43 115.31 136.44 3i8e h LEU 1000Ca -0.24 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 3i8e h LEU 1000Cb 1.06 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 3i8e h LEU 1000CO 1.12 0.02 0.00 0.61 -0.62 0.00 0.00 178.44 179.57 3i8e n GLY 1001N -0.32 1.07 3.11 3.75 0.00 -1.10 -5.07 105.19 106.63 3i8e n GLY 1001Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 3i8e n GLY 1001CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8e s GLU 1002N -0.01 0.26 -0.09 1.61 0.41 -1.26 -4.92 118.70 114.70 3i8e s GLU 1002Ca 0.00 0.38 -0.30 0.00 -0.41 0.00 0.00 54.97 54.65 3i8e s GLU 1002Cb 0.00 0.08 -0.02 0.00 -1.78 0.00 0.00 34.13 32.41 3i8e s GLU 1002CO 0.00 -0.06 1.11 0.12 -0.49 0.00 0.00 175.26 175.94 3i8e s PHE 1003N 0.40 3.32 -0.21 1.61 5.36 -1.26 -4.53 117.98 122.66 3i8e s PHE 1003Ca -0.02 1.38 -0.07 0.00 -0.96 0.00 0.00 56.93 57.25 3i8e s PHE 1003Cb -0.04 -3.32 -0.04 0.00 -0.34 0.00 0.00 43.02 39.29 3i8e s PHE 1003CO -0.02 -0.82 0.07 0.08 -1.46 0.00 0.00 175.22 173.07 3i8e s VAL 1004N 2.25 4.59 -0.14 3.12 1.01 -1.26 -1.45 120.40 128.52 3i8e s VAL 1004Ca 0.52 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.38 3i8e s VAL 1004Cb -0.21 -3.10 -0.24 0.00 0.00 0.00 0.00 36.38 32.82 3i8e s VAL 1004CO 0.19 0.40 0.28 0.59 0.00 0.00 0.00 175.10 176.56 3i8e n ASN 1005N 4.16 1.92 -3.67 3.32 3.02 -0.72 -4.01 115.26 119.28 3i8e n ASN 1005Ca -0.16 0.16 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 3i8e n ASN 1005Cb 0.52 -0.65 -0.09 0.00 -0.61 0.00 0.00 39.78 38.94 3i8e n ASN 1005CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i8e s VAL 1006N -2.55 -0.09 0.15 2.41 0.11 -1.18 -4.58 120.40 114.67 3i8e s VAL 1006Ca -0.23 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 3i8e s VAL 1006Cb 0.07 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 3i8e s VAL 1006CO 0.75 0.03 0.32 -0.36 -3.33 0.00 0.00 175.10 172.50 3i8e s PHE 1007N 1.61 3.49 0.12 1.54 0.40 -1.26 -1.18 117.98 122.69 3i8e s PHE 1007Ca -0.09 0.24 -0.22 0.00 -0.60 0.00 0.00 56.93 56.25 3i8e s PHE 1007Cb -0.08 -1.76 0.06 0.00 0.51 0.00 0.00 43.02 41.75 3i8e s PHE 1007CO -0.15 0.47 0.56 0.00 0.70 0.00 0.00 175.22 176.80 3i8e s HIS 1009N -3.31 3.88 0.00 0.00 3.76 -1.26 -0.93 115.29 117.44 3i8e s HIS 1009Ca -0.01 1.85 0.00 0.00 -0.15 0.00 0.00 55.06 56.75 3i8e s HIS 1009Cb -0.00 -3.04 0.00 0.00 1.11 0.00 0.00 32.58 30.65 3i8e s HIS 1009CO -0.09 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 3i8e n GLY 1010N 1.83 2.21 3.34 -2.22 0.00 -1.11 -4.76 105.19 104.48 3i8e n GLY 1010Ca 0.00 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 3i8e n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8e s SER 1011N 0.00 -0.35 0.01 1.61 0.15 -1.26 -4.20 113.70 109.65 3i8e s SER 1011Ca 0.00 0.29 0.22 0.00 0.70 0.00 0.00 55.95 57.16 3i8e s SER 1011Cb 0.00 0.40 -0.06 0.00 -1.71 0.00 0.00 66.02 64.64 3i8e s SER 1011CO 0.00 -0.52 0.96 0.18 1.20 0.00 0.00 173.24 175.06 3i8e n LEU 1012N 1.09 0.72 -0.11 3.45 4.77 -1.26 -3.81 117.00 121.84 3i8e n LEU 1012Ca -0.20 -0.26 0.02 0.00 -0.03 0.00 0.00 56.01 55.53 3i8e n LEU 1012Cb 0.57 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3i8e n LEU 1012CO 0.22 0.16 0.25 1.33 -1.33 0.00 0.00 177.39 178.02 3i8e n VAL 1013N -1.69 0.00 0.00 4.08 0.24 -1.26 -4.38 118.33 115.32 3i8e n VAL 1013Ca 0.03 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3i8e n VAL 1013Cb 0.38 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 3i8e n VAL 1013CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3i8e n MET 1014N -0.02 0.00 -0.72 7.34 0.00 -1.26 -4.97 117.12 117.49 3i8e n MET 1014Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.80 3i8e n MET 1014Cb 0.08 0.00 0.37 0.00 0.00 0.00 0.00 33.22 33.67 3i8e n MET 1014CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3i8e n GLN 1015N 0.00 4.16 0.00 2.12 1.13 -1.26 -4.86 117.38 118.67 3i8e n GLN 1015Ca 0.00 -3.00 0.00 0.00 -1.94 0.00 0.00 57.00 52.06 3i8e n GLN 1015Cb 0.00 -2.03 0.00 0.00 0.11 0.00 0.00 30.24 28.32 3i8e n GLN 1015CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3i8e n PRO 1023N 0.87 0.00 0.00 -1.09 -0.05 -1.26 -3.55 135.00 129.92 3i8e n PRO 1023Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.71 3i8e n PRO 1023Cb 1.01 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.46 3i8e n PRO 1023CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 3i8e n THR 1024N 0.00 0.00 -3.64 0.52 -2.24 -1.26 -4.94 114.28 102.71 3i8e n THR 1024Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 3i8e n THR 1024Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3i8e n THR 1024CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3i8e s GLN 1025N 4.77 0.29 0.17 -0.78 0.74 -1.08 -5.00 119.66 118.77 3i8e s GLN 1025Ca 0.00 0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.78 3i8e s GLN 1025Cb 0.00 0.12 0.00 0.00 1.10 0.00 0.00 33.01 34.23 3i8e s GLN 1025CO 0.00 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.11 3i8e n GLY 1026N 2.28 -1.78 3.26 2.59 0.00 -1.26 -1.68 105.19 108.60 3i8e n GLY 1026Ca -0.13 -1.35 0.03 0.00 0.00 0.00 0.00 46.02 44.57 3i8e n GLY 1026CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8e s SER 1027N -4.87 -0.37 -0.19 1.61 0.15 -1.26 -4.65 113.70 104.11 3i8e s SER 1027Ca 0.00 0.42 0.01 0.00 0.70 0.00 0.00 55.95 57.08 3i8e s SER 1027Cb 0.00 1.39 0.04 0.00 -1.71 0.00 0.00 66.02 65.74 3i8e s SER 1027CO 0.00 -0.07 -0.10 -0.69 1.20 0.00 0.00 173.24 173.58 3i8e s VAL 1028N 2.47 1.59 0.11 4.45 1.01 -0.22 -2.74 120.40 127.07 3i8e s VAL 1028Ca -0.01 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.80 3i8e s VAL 1028Cb -0.06 -1.66 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 3i8e s VAL 1028CO -0.15 0.20 0.70 -0.76 0.00 0.00 0.00 175.10 175.10 3i8e s LEU 1029N 1.42 4.54 0.02 3.92 1.43 -0.10 -0.81 118.68 129.11 3i8e s LEU 1029Ca -0.00 1.47 0.06 0.00 -1.03 0.00 0.00 54.13 54.62 3i8e s LEU 1029Cb -0.16 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 3i8e s LEU 1029CO -0.08 0.19 -0.16 0.72 0.23 0.00 0.00 176.35 177.24 3i8e s PHE 1030N -0.89 1.45 -0.18 0.29 -0.12 0.53 -1.27 117.98 117.78 3i8e s PHE 1030Ca 0.34 -0.33 -0.01 0.00 -0.05 0.00 0.00 56.93 56.88 3i8e s PHE 1030Cb -0.21 -0.88 0.00 0.00 -0.63 0.00 0.00 43.02 41.30 3i8e s PHE 1030CO 0.23 0.03 -0.13 0.20 -0.05 0.00 0.00 175.22 175.51 3i8e s GLY 1031N -0.91 1.50 0.68 1.99 0.00 -0.32 -0.56 107.32 109.70 3i8e s GLY 1031Ca 0.05 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3i8e s GLY 1031CO 0.01 0.23 0.94 -0.51 0.00 0.00 0.00 173.10 173.77 3i8e s THR 1032N 1.17 2.17 0.16 0.90 -4.23 -0.66 -1.76 115.64 113.40 3i8e s THR 1032Ca 0.01 -0.68 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 3i8e s THR 1032Cb -0.14 -2.49 -0.16 0.00 1.34 0.00 0.00 72.50 71.05 3i8e s THR 1032CO -0.05 0.00 1.37 0.58 -0.54 0.00 0.00 174.62 175.98 3i8e h VAL 1033N -0.35 1.59 0.00 2.29 2.07 -1.53 -2.83 116.25 117.49 3i8e h VAL 1033Ca -0.35 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.23 3i8e h VAL 1033Cb 1.27 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 3i8e h VAL 1033CO 0.41 0.84 0.00 0.59 0.02 0.00 0.00 177.57 179.43 3i8e n ASN 1034N -3.53 0.67 0.00 0.57 3.02 -1.26 -3.09 115.26 111.64 3i8e n ASN 1034Ca -0.02 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 3i8e n ASN 1034Cb 0.84 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3i8e n ASN 1034CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i8e n GLY 1035N 1.06 0.86 3.74 7.41 0.00 -1.17 -1.76 105.19 115.33 3i8e n GLY 1035Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3i8e n GLY 1035CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i8e s MET 1036N -0.99 4.64 -0.22 1.61 0.00 -1.26 -4.45 119.30 118.63 3i8e s MET 1036Ca 0.00 1.67 -0.09 0.00 0.00 0.00 0.00 55.69 57.27 3i8e s MET 1036Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 34.83 31.51 3i8e s MET 1036CO 0.00 0.16 0.10 0.42 0.00 0.00 0.00 175.02 175.70 3i8e s ILE 1037N -0.41 4.94 0.39 10.11 1.01 -0.79 -1.65 121.20 134.81 3i8e s ILE 1037Ca 0.48 0.03 0.06 0.00 0.00 0.00 0.00 60.65 61.22 3i8e s ILE 1037Cb -0.28 -3.27 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 3i8e s ILE 1037CO 0.35 0.40 0.02 -0.83 0.00 0.00 0.00 174.94 174.87 3i8e s GLY 1038N 0.83 2.41 -0.14 6.18 0.00 0.28 -0.72 107.32 116.16 3i8e s GLY 1038Ca 0.05 -2.25 -0.04 0.00 0.00 0.00 0.00 44.72 42.48 3i8e s GLY 1038CO 0.02 -2.04 0.10 -2.27 0.00 0.00 0.00 173.10 168.91 3i8e s LEU 1039N -3.66 0.24 -0.14 0.66 2.96 0.09 -0.35 118.68 118.48 3i8e s LEU 1039Ca 0.35 -0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 53.70 3i8e s LEU 1039Cb 0.10 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 3i8e s LEU 1039CO 0.17 -0.32 0.43 -0.69 -1.32 0.00 0.00 176.35 174.63 3i8e s VAL 1040N 2.17 5.21 0.04 1.68 1.01 0.01 -1.78 120.40 128.73 3i8e s VAL 1040Ca 0.03 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.88 3i8e s VAL 1040Cb -0.15 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3i8e s VAL 1040CO -0.08 0.32 -0.08 -0.89 0.00 0.00 0.00 175.10 174.38 3i8e s THR 1041N 0.72 0.56 0.04 3.92 2.01 -0.06 -1.06 115.64 121.78 3i8e s THR 1041Ca 0.23 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3i8e s THR 1041Cb -0.15 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3i8e s THR 1041CO 0.09 -0.30 0.15 -0.44 -0.69 0.00 0.00 174.62 173.42 3i8e s SER 1042N -1.38 6.01 0.28 3.53 0.01 -0.68 -0.14 113.70 121.34 3i8e s SER 1042Ca -0.08 0.18 0.12 0.00 1.31 0.00 0.00 55.95 57.48 3i8e s SER 1042Cb -0.09 -1.77 -0.05 0.00 0.21 0.00 0.00 66.02 64.32 3i8e s SER 1042CO 0.00 0.20 -0.19 -0.76 0.41 0.00 0.00 173.24 172.90 3i8e s LEU 1043N -2.26 2.60 -0.02 2.44 1.43 0.50 -2.63 118.68 120.74 3i8e s LEU 1043Ca 0.30 -1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 3i8e s LEU 1043Cb -0.13 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 3i8e s LEU 1043CO 0.22 0.02 0.31 -0.94 0.23 0.00 0.00 176.35 176.20 3i8e s SER 1044N -3.52 6.62 0.18 2.29 1.04 -1.26 -4.53 113.70 114.52 3i8e s SER 1044Ca 0.30 0.74 -0.10 0.00 0.48 0.00 0.00 55.95 57.37 3i8e s SER 1044Cb -0.04 -2.16 0.23 0.00 0.10 0.00 0.00 66.02 64.14 3i8e s SER 1044CO 0.15 0.31 1.13 -1.84 0.98 0.00 0.00 173.24 173.97 3i8e n GLU 1045N 1.59 -0.13 -0.23 4.02 0.00 -1.26 -0.23 120.64 124.40 3i8e n GLU 1045Ca -0.14 1.12 -0.03 0.00 0.00 0.00 0.00 57.16 58.11 3i8e n GLU 1045Cb 0.53 -1.67 0.14 0.00 0.00 0.00 0.00 31.44 30.44 3i8e n GLU 1045CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3i8e h SER 1046N 0.00 0.96 -0.53 -1.84 4.64 -2.00 -2.67 113.55 112.12 3i8e h SER 1046Ca 0.29 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3i8e h SER 1046Cb 0.47 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3i8e h SER 1046CO -0.73 0.84 0.32 -0.50 -0.87 0.00 0.00 176.83 175.89 3i8e h TRP 1047N 1.03 0.69 0.27 4.77 4.06 -1.01 -1.28 115.95 124.49 3i8e h TRP 1047Ca 0.24 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.20 3i8e h TRP 1047Cb 0.16 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 3i8e h TRP 1047CO 0.01 0.47 -0.34 -0.92 -3.56 0.00 0.00 178.44 174.10 3i8e h TYR 1048N 0.71 -0.93 -0.11 0.49 3.20 -1.45 -0.63 116.97 118.24 3i8e h TYR 1048Ca 0.19 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3i8e h TYR 1048Cb -0.02 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3i8e h TYR 1048CO -0.03 -0.47 -0.06 -0.91 -1.64 0.00 0.00 178.16 175.05 3i8e h ASN 1049N -0.66 0.15 0.05 -2.11 2.35 -1.28 0.63 115.58 114.70 3i8e h ASN 1049Ca -0.00 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3i8e h ASN 1049Cb 0.63 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3i8e h ASN 1049CO -0.11 0.24 -0.02 0.25 -1.65 0.00 0.00 177.43 176.13 3i8e h LEU 1050N 0.16 -0.06 -0.23 1.61 6.46 -1.05 -2.78 115.31 119.42 3i8e h LEU 1050Ca 0.04 -0.35 -0.18 0.00 -0.12 0.00 0.00 57.88 57.27 3i8e h LEU 1050Cb 0.22 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3i8e h LEU 1050CO 0.01 0.32 -0.55 -0.07 -0.62 0.00 0.00 178.44 177.53 3i8e h LEU 1051N -0.45 0.89 -1.15 2.25 3.38 -0.10 0.37 115.31 120.51 3i8e h LEU 1051Ca -0.01 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.47 3i8e h LEU 1051Cb 0.40 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3i8e h LEU 1051CO 0.01 1.29 0.59 0.25 0.09 0.00 0.00 178.44 180.67 3i8e h LEU 1052N 0.53 0.89 0.40 1.67 6.46 0.10 0.38 115.31 125.75 3i8e h LEU 1052Ca -0.00 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3i8e h LEU 1052Cb 1.17 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 3i8e h LEU 1052CO 0.12 0.57 -0.19 -0.78 -0.62 0.00 0.00 178.44 177.54 3i8e h ASP 1053N 1.01 -0.46 0.00 1.25 3.58 -1.28 -3.03 116.42 117.50 3i8e h ASP 1053Ca 0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 3i8e h ASP 1053Cb 0.23 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.39 3i8e h ASP 1053CO -0.15 -0.02 0.30 0.80 -2.88 0.00 0.00 179.24 177.29 3i8e n MET 1054N -5.14 0.06 -0.05 0.28 1.56 0.13 0.86 117.12 114.82 3i8e n MET 1054Ca -0.07 0.47 -0.12 0.00 -0.27 0.00 0.00 57.70 57.71 3i8e n MET 1054Cb 0.22 -1.99 -0.11 0.00 2.15 0.00 0.00 33.22 33.50 3i8e n MET 1054CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 3i8e h GLN 1055N 0.00 -0.02 -0.14 2.12 4.15 -0.21 -2.70 115.11 118.31 3i8e h GLN 1055Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3i8e h GLN 1055Cb 0.60 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 3i8e h GLN 1055CO 0.00 0.75 -0.09 -0.91 -1.93 0.00 0.00 178.83 176.65 3i8e h ASN 1056N -0.93 0.20 -0.35 -0.69 -0.26 0.59 -1.21 115.58 112.94 3i8e h ASN 1056Ca -0.00 -0.03 -0.10 0.00 -0.56 0.00 0.00 56.30 55.61 3i8e h ASN 1056Cb 0.78 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.98 3i8e h ASN 1056CO 0.00 0.33 -0.16 0.03 -1.06 0.00 0.00 177.43 176.57 3i8e h ARG 1057N 0.21 0.72 0.00 0.81 2.47 -1.41 -3.23 114.38 113.94 3i8e h ARG 1057Ca 0.05 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 3i8e h ARG 1057Cb 0.30 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3i8e h ARG 1057CO 0.02 0.91 0.00 -0.07 0.56 0.00 0.00 179.97 181.39 3i8e h LEU 1058N 0.50 0.00 0.17 3.04 3.38 -0.91 -3.13 115.31 118.36 3i8e h LEU 1058Ca 0.08 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.70 3i8e h LEU 1058Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3i8e h LEU 1058CO 0.05 0.00 -1.79 0.78 0.09 0.00 0.00 178.44 177.57 3i8e h ASN 1059N 0.00 0.55 -0.32 -0.43 2.35 -1.32 -2.35 115.58 114.05 3i8e h ASN 1059Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.86 3i8e h ASN 1059Cb 0.36 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3i8e h ASN 1059CO 0.00 1.76 0.21 0.11 -1.65 0.00 0.00 177.43 177.86 3i8e h LYS 1060N 0.10 0.43 0.00 0.81 1.57 -1.60 -3.06 116.57 114.82 3i8e h LYS 1060Ca -0.35 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3i8e h LYS 1060Cb 2.08 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 34.29 3i8e h LYS 1060CO 0.16 0.29 -0.00 0.28 -0.57 0.00 0.00 179.45 179.60 3i8e h VAL 1061N 0.44 1.38 -3.13 0.50 2.07 -1.67 -3.45 116.25 112.39 3i8e h VAL 1061Ca 0.12 -2.03 -0.57 0.00 0.82 0.00 0.00 66.70 65.03 3i8e h VAL 1061Cb -0.04 2.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 3i8e h VAL 1061CO -0.02 0.47 0.89 -0.63 0.02 0.00 0.00 177.57 178.29 3i8e s ILE 1062N -2.06 4.37 -0.25 4.57 1.01 -0.89 -5.00 121.20 122.96 3i8e s ILE 1062Ca -0.15 1.60 -0.24 0.00 0.00 0.00 0.00 60.65 61.87 3i8e s ILE 1062Cb -0.02 -4.23 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 3i8e s ILE 1062CO 0.53 -0.36 0.79 -1.59 0.00 0.00 0.00 174.94 174.31 3i8e s LYS 1063N 3.71 4.16 0.64 2.79 0.00 -1.26 -4.76 119.74 125.02 3i8e s LYS 1063Ca 0.51 0.86 -0.15 0.00 0.00 0.00 0.00 55.97 57.18 3i8e s LYS 1063Cb -0.16 -3.65 -0.01 0.00 0.00 0.00 0.00 37.83 34.01 3i8e s LYS 1063CO 0.16 -0.50 1.09 0.45 0.00 0.00 0.00 175.35 176.55 3i8e s SER 1064N 1.37 5.34 0.01 0.03 0.15 -1.26 -5.00 113.70 114.35 3i8e s SER 1064Ca 0.33 1.94 -0.16 0.00 0.70 0.00 0.00 55.95 58.76 3i8e s SER 1064Cb -0.15 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.52 3i8e s SER 1064CO 0.08 -1.47 1.04 0.58 1.20 0.00 0.00 173.24 174.67 3i8e h VAL 1065N 0.18 0.00 -0.13 4.45 2.07 -1.89 -2.83 116.25 118.10 3i8e h VAL 1065Ca -0.47 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3i8e h VAL 1065Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3i8e h VAL 1065CO 0.55 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.75 3i8e n GLY 1066N -0.71 -0.16 2.66 2.17 0.00 -1.26 -4.51 105.19 103.38 3i8e n GLY 1066Ca -0.07 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3i8e n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8e n LYS 1067N -0.10 -4.31 -3.87 1.61 4.76 -1.07 -4.77 118.16 110.42 3i8e n LYS 1067Ca 0.04 0.58 -0.35 0.00 -2.87 0.00 0.00 58.31 55.72 3i8e n LYS 1067Cb 0.14 -4.78 -0.09 0.00 -1.84 0.00 0.00 35.03 28.47 3i8e n LYS 1067CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i8e s ILE 1068N -3.25 5.11 0.17 -0.18 1.01 -1.26 -4.94 121.20 117.86 3i8e s ILE 1068Ca 0.02 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.44 3i8e s ILE 1068Cb -0.00 -3.32 -0.11 0.00 0.01 0.00 0.00 42.46 39.04 3i8e s ILE 1068CO 0.50 0.46 1.77 -0.70 0.00 0.00 0.00 174.94 176.97 3i8e s GLU 1069N 0.30 4.13 0.16 2.79 2.56 -1.26 -4.68 118.70 122.70 3i8e s GLU 1069Ca 0.06 2.60 -0.09 0.00 0.00 0.00 0.00 54.97 57.53 3i8e s GLU 1069Cb -0.12 -3.33 -0.00 0.00 2.00 0.00 0.00 34.13 32.68 3i8e s GLU 1069CO -0.01 -0.79 1.49 1.25 -0.56 0.00 0.00 175.26 176.64 3i8e h HIS 1070N 7.70 1.06 -0.16 5.30 -0.00 -1.97 -2.56 115.15 124.52 3i8e h HIS 1070Ca -0.44 -0.32 -0.02 0.00 -0.00 0.00 0.00 60.37 59.59 3i8e h HIS 1070Cb 1.21 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 3i8e h HIS 1070CO 0.72 1.13 0.03 0.66 -0.00 0.00 0.00 177.93 180.46 3i8e h SER 1071N 0.72 0.19 0.42 3.26 4.64 -1.99 -2.65 113.55 118.15 3i8e h SER 1071Ca 0.06 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3i8e h SER 1071Cb 0.97 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3i8e h SER 1071CO 0.09 0.22 -0.20 0.15 -0.87 0.00 0.00 176.83 176.22 3i8e h PHE 1072N 0.22 -0.53 -1.00 4.77 3.57 -1.92 -2.86 116.94 119.19 3i8e h PHE 1072Ca 0.05 -0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.88 3i8e h PHE 1072Cb 0.11 0.17 -0.15 0.00 2.79 0.00 0.00 35.95 38.87 3i8e h PHE 1072CO 0.00 -0.24 0.56 2.35 -2.23 0.00 0.00 178.31 178.75 3i8e h TRP 1073N -1.06 0.91 -0.01 0.41 -0.00 -1.31 0.22 115.95 115.11 3i8e h TRP 1073Ca -0.06 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 3i8e h TRP 1073Cb 0.52 -0.23 0.00 0.00 -0.00 0.00 0.00 29.16 29.45 3i8e h TRP 1073CO 0.02 -0.22 -0.28 0.54 -0.00 0.00 0.00 178.44 178.50 3i8e n ARG 1074N -5.09 0.64 -1.71 2.65 5.12 -1.01 -4.75 116.66 112.51 3i8e n ARG 1074Ca 0.33 -0.35 -0.43 0.00 -1.93 0.00 0.00 57.85 55.46 3i8e n ARG 1074Cb 1.03 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.81 3i8e n ARG 1074CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3i8e n SER 1075N -0.87 3.46 -4.55 0.55 7.64 0.77 -1.87 113.62 118.75 3i8e n SER 1075Ca 0.11 1.12 -0.45 0.00 1.01 0.00 0.00 58.87 60.66 3i8e n SER 1075Cb 0.34 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 61.97 3i8e n SER 1075CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3i8e n PHE 1076N 2.60 1.82 -4.07 1.43 7.35 0.19 -4.28 117.46 122.50 3i8e n PHE 1076Ca 0.12 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.49 3i8e n PHE 1076Cb 0.34 -2.67 -0.15 0.00 0.35 0.00 0.00 39.48 37.35 3i8e n PHE 1076CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i8e s HIS 1077N 8.30 3.06 0.26 -5.13 5.65 -1.26 -2.55 115.29 123.61 3i8e s HIS 1077Ca 1.04 -2.09 0.08 0.00 0.25 0.00 0.00 55.06 54.33 3i8e s HIS 1077Cb -0.48 -1.90 -0.05 0.00 -1.18 0.00 0.00 32.58 28.97 3i8e s HIS 1077CO 0.39 -0.85 -0.10 0.95 -0.65 0.00 0.00 174.74 174.47 3i8e s THR 1078N 1.18 1.78 0.00 0.89 -4.23 -0.98 -4.85 115.64 109.43 3i8e s THR 1078Ca -0.05 -2.18 -0.01 0.00 -1.18 0.00 0.00 61.69 58.26 3i8e s THR 1078Cb -0.18 -2.30 -0.07 0.00 1.34 0.00 0.00 72.50 71.29 3i8e s THR 1078CO -0.07 -0.41 2.00 1.21 -0.54 0.00 0.00 174.62 176.81 3i8e n GLU 1079N -0.52 1.03 0.00 3.99 4.07 -1.26 -2.62 120.64 125.32 3i8e n GLU 1079Ca -0.06 -0.24 0.00 0.00 -0.06 0.00 0.00 57.16 56.79 3i8e n GLU 1079Cb 0.62 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.65 3i8e n GLU 1079CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3i8e n ARG 1080N 1.92 0.66 -3.52 5.31 1.85 -1.26 -5.15 116.66 116.47 3i8e n ARG 1080Ca 0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.82 3i8e n ARG 1080Cb 0.49 -0.11 -0.04 0.00 -1.05 0.00 0.00 32.46 31.76 3i8e n ARG 1080CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 3i8e s LYS 1081N -0.49 1.13 -0.03 2.89 -2.85 -1.08 -5.16 119.74 114.15 3i8e s LYS 1081Ca 0.00 -0.33 -0.01 0.00 -1.00 0.00 0.00 55.97 54.63 3i8e s LYS 1081Cb 0.00 0.52 0.03 0.00 -2.06 0.00 0.00 37.83 36.32 3i8e s LYS 1081CO 0.00 -0.44 0.04 0.99 0.10 0.00 0.00 175.35 176.04 3i8e s THR 1082N -2.96 -0.03 0.07 3.79 2.01 -1.26 -2.30 115.64 114.96 3i8e s THR 1082Ca -0.03 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.28 3i8e s THR 1082Cb -0.00 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 3i8e s THR 1082CO -0.06 0.14 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.33 3i8e s GLU 1083N 1.53 0.71 0.65 4.92 0.41 -1.06 -4.99 118.70 120.87 3i8e s GLU 1083Ca -0.03 -1.07 -0.12 0.00 -0.41 0.00 0.00 54.97 53.34 3i8e s GLU 1083Cb -0.13 -0.28 -0.01 0.00 -1.78 0.00 0.00 34.13 31.93 3i8e s GLU 1083CO -0.03 0.02 1.05 -1.25 -0.49 0.00 0.00 175.26 174.56 3i8e s PRO 1084N -2.75 3.18 0.31 0.39 0.04 -1.26 0.57 135.00 135.48 3i8e s PRO 1084Ca 0.02 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 3i8e s PRO 1084Cb -0.02 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 3i8e s PRO 1084CO -0.02 -0.91 1.43 0.00 0.04 0.00 0.00 177.00 177.55 3i8e s ALA 1085N -2.92 3.59 0.05 8.56 0.00 -1.26 -4.62 121.76 125.17 3i8e s ALA 1085Ca 0.59 1.40 0.03 0.00 0.00 0.00 0.00 51.96 53.97 3i8e s ALA 1085Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 3i8e s ALA 1085CO 0.50 -0.82 -0.09 0.95 0.00 0.00 0.00 175.76 176.30 3i8e s THR 1086N -0.57 0.65 -1.47 0.00 -4.23 -1.14 -4.90 115.64 103.98 3i8e s THR 1086Ca 0.55 -1.17 -0.10 0.00 -1.18 0.00 0.00 61.69 59.79 3i8e s THR 1086Cb -0.43 -0.75 0.06 0.00 1.34 0.00 0.00 72.50 72.72 3i8e s THR 1086CO 0.51 -0.38 0.84 0.61 -0.54 0.00 0.00 174.62 175.66 3i8e n GLY 1087N 1.35 -0.51 3.38 3.99 0.00 -1.26 -2.92 105.19 109.22 3i8e n GLY 1087Ca -0.22 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 3i8e n GLY 1087CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i8e s PHE 1088N -3.20 -0.50 -0.21 1.61 0.40 -1.25 -3.25 117.98 111.57 3i8e s PHE 1088Ca 0.53 1.18 -0.04 0.00 -0.60 0.00 0.00 56.93 58.00 3i8e s PHE 1088Cb -0.26 0.19 0.07 0.00 0.51 0.00 0.00 43.02 43.53 3i8e s PHE 1088CO 0.65 -0.29 0.09 0.42 0.70 0.00 0.00 175.22 176.80 3i8e s ILE 1089N -0.01 0.03 -0.53 0.64 1.01 -0.02 -4.96 121.20 117.36 3i8e s ILE 1089Ca -0.02 -0.43 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 3i8e s ILE 1089Cb -0.03 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.66 3i8e s ILE 1089CO 0.02 -0.41 1.50 1.51 0.00 0.00 0.00 174.94 177.55 3i8e s ASP 1090N 2.07 6.03 0.01 3.58 3.84 -1.26 -1.34 116.67 129.60 3i8e s ASP 1090Ca 0.04 0.43 0.01 0.00 -0.00 0.00 0.00 52.55 53.02 3i8e s ASP 1090Cb -0.16 -2.54 0.03 0.00 -1.38 0.00 0.00 42.92 38.87 3i8e s ASP 1090CO -0.17 -1.76 1.02 0.61 -0.00 0.00 0.00 175.17 174.87 3i8e n GLY 1091N 5.31 -0.51 0.29 2.12 0.00 0.14 -0.58 105.19 111.95 3i8e n GLY 1091Ca 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3i8e n GLY 1091CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i8e h ASP 1092N 0.00 0.77 0.16 1.61 5.19 -1.87 0.21 116.42 122.49 3i8e h ASP 1092Ca 0.00 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3i8e h ASP 1092Cb 0.01 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.35 3i8e h ASP 1092CO 0.00 0.53 -0.08 0.25 -3.12 0.00 0.00 179.24 176.83 3i8e h LEU 1093N 0.92 -0.18 -0.98 1.55 6.46 -1.21 -2.79 115.31 119.08 3i8e h LEU 1093Ca 0.30 -0.25 0.28 0.00 -0.12 0.00 0.00 57.88 58.08 3i8e h LEU 1093Cb 0.02 0.05 -0.18 0.00 -0.73 0.00 0.00 40.66 39.81 3i8e h LEU 1093CO -0.11 0.38 0.07 0.40 -0.62 0.00 0.00 178.44 178.56 3i8e h ILE 1094N -0.98 0.04 0.00 4.05 1.08 -1.51 0.72 117.51 120.90 3i8e h ILE 1094Ca -0.02 -0.01 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 3i8e h ILE 1094Cb 0.42 0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3i8e h ILE 1094CO 0.04 0.00 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.01 3i8e h GLU 1095N 0.02 0.00 0.00 2.37 5.08 -0.64 -2.84 114.58 118.58 3i8e h GLU 1095Ca 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 3i8e h GLU 1095Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3i8e h GLU 1095CO -0.90 0.16 0.00 0.45 -1.00 0.00 0.00 179.01 177.73 3i8e n SER 1096N -3.39 0.22 -0.03 1.42 2.88 0.25 -2.60 113.62 112.36 3i8e n SER 1096Ca -0.00 0.57 -0.09 0.00 -1.33 0.00 0.00 58.87 58.02 3i8e n SER 1096Cb 0.36 -0.61 -0.03 0.00 -0.75 0.00 0.00 64.21 63.18 3i8e n SER 1096CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3i8e h PHE 1097N 0.00 -0.12 0.00 0.66 3.57 -1.50 -3.04 116.94 116.51 3i8e h PHE 1097Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3i8e h PHE 1097Cb 0.20 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3i8e h PHE 1097CO 0.00 -0.09 0.00 1.28 -2.23 0.00 0.00 178.31 177.27 3i8e n LEU 1098N -5.20 0.40 0.00 0.59 4.77 -1.07 -1.67 117.00 114.82 3i8e n LEU 1098Ca -0.03 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3i8e n LEU 1098Cb 0.12 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3i8e n LEU 1098CO 0.24 0.10 0.05 0.47 -1.33 0.00 0.00 177.39 176.92 3i8e n ASP 1099N -0.02 0.19 -4.82 -1.43 8.00 -1.15 -5.05 116.55 112.26 3i8e n ASP 1099Ca 0.00 -0.56 -0.34 0.00 0.71 0.00 0.00 54.79 54.60 3i8e n ASP 1099Cb 0.10 0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 41.82 3i8e n ASP 1099CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i8e s ILE 1100N -0.69 4.50 0.58 0.53 1.01 -0.67 -5.04 121.20 121.42 3i8e s ILE 1100Ca 0.00 1.31 -0.21 0.00 0.00 0.00 0.00 60.65 61.76 3i8e s ILE 1100Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3i8e s ILE 1100CO 0.00 -0.05 1.34 -1.54 0.00 0.00 0.00 174.94 174.69 3i8e n SER 1101N 0.03 2.50 0.12 3.58 3.41 -1.26 -4.75 113.62 117.25 3i8e n SER 1101Ca 0.02 0.93 0.04 0.00 -0.26 0.00 0.00 58.87 59.61 3i8e n SER 1101Cb 0.52 -1.57 0.47 0.00 -0.26 0.00 0.00 64.21 63.37 3i8e n SER 1101CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i8e h ARG 1102N 1.15 0.27 -0.88 4.33 2.43 -1.96 0.44 114.38 120.15 3i8e h ARG 1102Ca -0.51 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.72 3i8e h ARG 1102Cb 1.32 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 3i8e h ARG 1102CO 0.56 0.27 0.57 -1.00 -1.51 0.00 0.00 179.97 178.85 3i8e h PRO 1103N 0.27 0.87 0.00 0.20 0.13 -2.00 -0.01 132.00 131.46 3i8e h PRO 1103Ca 0.07 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3i8e h PRO 1103Cb 0.13 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.06 3i8e h PRO 1103CO -0.00 0.58 -1.19 1.63 -0.23 0.00 0.00 178.00 178.79 3i8e n LYS 1104N -4.52 0.29 0.11 0.86 5.02 -0.87 -3.53 118.16 115.51 3i8e n LYS 1104Ca 0.15 -0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.38 3i8e n LYS 1104Cb 0.28 -1.56 0.24 0.00 -0.02 0.00 0.00 35.03 33.98 3i8e n LYS 1104CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 3i8e h MET 1105N 0.00 0.21 0.06 1.97 4.05 -0.55 -3.25 114.93 117.42 3i8e h MET 1105Ca 0.00 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 3i8e h MET 1105Cb 0.72 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 3i8e h MET 1105CO 0.00 0.58 -0.03 1.96 0.23 0.00 0.00 176.91 179.65 3i8e h GLN 1106N 0.18 -0.08 -0.97 0.39 1.08 -1.05 -3.28 115.11 111.38 3i8e h GLN 1106Ca 0.02 0.01 0.29 0.00 -1.45 0.00 0.00 58.65 57.52 3i8e h GLN 1106Cb 0.79 0.02 -0.15 0.00 -0.05 0.00 0.00 27.48 28.09 3i8e h GLN 1106CO 0.06 0.22 0.47 0.93 -0.95 0.00 0.00 178.83 179.56 3i8e h GLU 1107N -0.38 0.29 -0.88 1.46 5.08 -1.61 0.33 114.58 118.87 3i8e h GLU 1107Ca -0.01 -0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.57 3i8e h GLU 1107Cb 0.33 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.37 3i8e h GLU 1107CO 0.01 0.19 0.19 0.28 -1.00 0.00 0.00 179.01 178.69 3i8e h VAL 1108N 0.30 0.27 -3.57 3.13 2.07 -1.64 -3.36 116.25 113.45 3i8e h VAL 1108Ca 0.68 -0.06 -0.63 0.00 0.82 0.00 0.00 66.70 67.51 3i8e h VAL 1108Cb 1.49 0.09 -0.13 0.00 -1.52 0.00 0.00 31.29 31.22 3i8e h VAL 1108CO -0.62 0.03 0.05 -0.69 0.02 0.00 0.00 177.57 176.37 3i8e s VAL 1109N -5.96 4.98 0.00 2.57 1.01 0.12 -4.76 120.40 118.36 3i8e s VAL 1109Ca -0.12 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3i8e s VAL 1109Cb 0.26 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3i8e s VAL 1109CO 0.77 -0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.74 3i8e n ALA 1110N 5.78 1.50 -3.60 5.51 0.00 -1.26 -4.98 120.51 123.46 3i8e n ALA 1110Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 3i8e n ALA 1110Cb 0.49 0.11 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 3i8e n ALA 1110CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8e s ASN 1111N -1.95 -0.11 0.55 0.00 4.22 -1.26 -5.10 114.94 111.30 3i8e s ASN 1111Ca 0.00 -0.04 0.00 0.00 -2.14 0.00 0.00 52.86 50.68 3i8e s ASN 1111Cb 0.00 0.14 0.00 0.00 1.28 0.00 0.00 41.25 42.67 3i8e s ASN 1111CO 0.00 -0.24 0.00 -2.11 -2.04 0.00 0.00 177.10 172.71 3i8e n ARG 1122N -0.19 -3.65 -4.12 3.55 1.85 -1.26 -4.56 116.66 108.28 3i8e n ARG 1122Ca -0.02 2.86 -0.10 0.00 -1.00 0.00 0.00 57.85 59.60 3i8e n ARG 1122Cb 0.59 -3.68 -0.09 0.00 -1.05 0.00 0.00 32.46 28.23 3i8e n ARG 1122CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3i8e s GLU 1123N -5.07 1.03 -0.38 2.89 2.12 -1.26 -5.13 118.70 112.90 3i8e s GLU 1123Ca 0.00 -1.43 0.03 0.00 0.36 0.00 0.00 54.97 53.93 3i8e s GLU 1123Cb 0.00 0.28 0.16 0.00 0.26 0.00 0.00 34.13 34.82 3i8e s GLU 1123CO 0.00 -0.32 0.34 0.00 -0.54 0.00 0.00 175.26 174.74 3i8e s ALA 1124N -4.05 0.23 0.00 6.30 0.00 -1.26 -5.12 121.76 117.85 3i8e s ALA 1124Ca 0.26 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3i8e s ALA 1124Cb 0.06 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3i8e s ALA 1124CO 0.04 -2.11 0.00 2.41 0.00 0.00 0.00 175.76 176.10 3i8e n THR 1125N 3.80 0.00 0.00 0.00 -1.04 -1.26 -4.89 114.28 110.89 3i8e n THR 1125Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 3i8e n THR 1125Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 3i8e n THR 1125CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i8e n ALA 1126N -3.00 0.00 0.87 2.41 0.00 -1.26 -4.90 120.51 114.63 3i8e n ALA 1126Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3i8e n ALA 1126Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3i8e n ALA 1126CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i8e n ASP 1127N 0.00 1.77 -0.00 0.00 3.85 -1.26 -3.32 116.55 117.59 3i8e n ASP 1127Ca 0.00 -2.14 0.11 0.00 -0.71 0.00 0.00 54.79 52.05 3i8e n ASP 1127Cb 0.00 -0.36 -0.14 0.00 -1.35 0.00 0.00 41.12 39.27 3i8e n ASP 1127CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3i8e n ASP 1128N 0.15 0.45 0.01 -1.12 4.64 -1.26 -4.30 116.55 115.12 3i8e n ASP 1128Ca 0.08 -0.42 -0.16 0.00 -1.38 0.00 0.00 54.79 52.91 3i8e n ASP 1128Cb 0.36 1.52 -0.14 0.00 -1.04 0.00 0.00 41.12 41.82 3i8e n ASP 1128CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3i8e h LEU 1129N 0.00 0.26 -0.52 -2.67 -0.00 -1.96 -2.98 115.31 107.44 3i8e h LEU 1129Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 3i8e h LEU 1129Cb 0.78 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 3i8e h LEU 1129CO 0.00 1.45 0.30 0.00 -0.00 0.00 0.00 178.44 180.20 3i8e n ILE 1130N -3.32 0.73 -0.12 1.22 3.06 -1.26 -0.99 119.36 118.70 3i8e n ILE 1130Ca -0.23 0.66 -0.16 0.00 -2.50 0.00 0.00 62.75 60.52 3i8e n ILE 1130Cb 1.05 -1.66 -0.11 0.00 0.54 0.00 0.00 39.64 39.46 3i8e n ILE 1130CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 3i8e n LYS 1131N -1.76 0.60 -0.07 9.51 4.81 -1.22 -4.17 118.16 125.86 3i8e n LYS 1131Ca -0.01 0.13 -0.14 0.00 -0.87 0.00 0.00 58.31 57.42 3i8e n LYS 1131Cb 0.32 -1.46 -0.06 0.00 0.02 0.00 0.00 35.03 33.85 3i8e n LYS 1131CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i8e h VAL 1132N 0.00 1.32 0.00 3.15 2.07 -0.91 -1.96 116.25 119.92 3i8e h VAL 1132Ca -0.52 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.41 3i8e h VAL 1132Cb 1.81 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3i8e h VAL 1132CO -0.08 0.49 -0.12 0.58 0.02 0.00 0.00 177.57 178.46 3i8e h VAL 1133N 0.33 1.07 -0.16 2.57 2.07 -1.31 -1.22 116.25 119.60 3i8e h VAL 1133Ca 0.02 -0.43 -0.18 0.00 0.82 0.00 0.00 66.70 66.93 3i8e h VAL 1133Cb 0.94 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3i8e h VAL 1133CO 0.08 0.12 -0.65 -0.33 0.02 0.00 0.00 177.57 176.82 3i8e h GLU 1134N 0.00 0.58 0.00 1.57 5.08 -1.68 -3.00 114.58 117.13 3i8e h GLU 1134Ca -0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3i8e h GLU 1134Cb 0.22 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3i8e h GLU 1134CO 0.02 1.04 0.00 0.39 -1.00 0.00 0.00 179.01 179.45 3i8e n GLU 1135N -3.92 0.14 0.00 2.33 1.02 -0.46 -1.46 120.64 118.29 3i8e n GLU 1135Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3i8e n GLU 1135Cb 0.66 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 3i8e n GLU 1135CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i8e n LEU 1136N -0.74 0.00 -0.26 -4.62 4.77 -1.16 -4.58 117.00 110.41 3i8e n LEU 1136Ca 0.02 -0.16 0.02 0.00 -0.03 0.00 0.00 56.01 55.85 3i8e n LEU 1136Cb 0.01 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3i8e n LEU 1136CO 0.01 0.00 0.51 0.35 -1.33 0.00 0.00 177.39 176.93 3i8e n THR 1137N -0.91 0.17 -2.04 -5.08 -2.24 -0.53 -3.78 114.28 99.87 3i8e n THR 1137Ca 0.00 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 3i8e n THR 1137Cb 0.00 -0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 3i8e n THR 1137CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i8e n ARG 1138N -0.16 2.84 -0.00 -0.78 1.74 -1.24 -4.71 116.66 114.35 3i8e n ARG 1138Ca 0.04 -3.83 0.02 0.00 -0.77 0.00 0.00 57.85 53.30 3i8e n ARG 1138Cb 0.13 -1.98 0.02 0.00 -1.02 0.00 0.00 32.46 29.61 3i8e n ARG 1138CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i8e n ILE 1139N -0.74 0.03 -1.38 0.55 5.41 -1.25 -5.02 119.36 116.96 3i8e n ILE 1139Ca 0.33 -0.52 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3i8e n ILE 1139Cb 0.90 1.07 0.00 0.00 -0.71 0.00 0.00 39.64 40.90 3i8e n ILE 1139CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55