#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ti6 n GLY 2 N 0.00 1.99 3.99 3.03 0.00 -1.26 -5.02 105.19 107.92 1ti6 n GLY 2 Ca 0.00 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 1ti6 n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ti6 s GLU 3 N -0.84 2.30 0.06 1.61 0.41 -1.26 -4.72 118.70 116.26 1ti6 s GLU 3 Ca 0.00 -1.00 -0.29 0.00 -0.41 0.00 0.00 54.97 53.27 1ti6 s GLU 3 Cb 0.00 -2.48 -0.05 0.00 -1.78 0.00 0.00 34.13 29.82 1ti6 s GLU 3 CO 0.00 -0.90 0.92 0.08 -0.49 0.00 0.00 175.26 174.87 1ti6 s VAL 4 N -2.83 4.67 -0.05 2.63 1.01 -1.26 -4.52 120.40 120.05 1ti6 s VAL 4 Ca 0.60 1.97 0.06 0.00 0.00 0.00 0.00 61.98 64.61 1ti6 s VAL 4 Cb -0.08 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 1ti6 s VAL 4 CO 0.40 0.28 -0.25 -0.69 0.00 0.00 0.00 175.10 174.84 1ti6 s VAL 5 N 0.33 2.01 -0.31 2.92 1.01 0.77 -4.93 120.40 122.21 1ti6 s VAL 5 Ca 0.47 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1ti6 s VAL 5 Cb -0.22 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1ti6 s VAL 5 CO 0.28 0.56 0.45 -0.60 0.00 0.00 0.00 175.10 175.79 1ti6 s ARG 6 N -0.17 3.83 0.53 2.72 3.52 -1.26 -0.50 118.95 127.61 1ti6 s ARG 6 Ca -0.03 -0.03 0.04 0.00 -0.13 0.00 0.00 55.73 55.58 1ti6 s ARG 6 Cb -0.13 -3.73 0.02 0.00 -1.56 0.00 0.00 34.95 29.54 1ti6 s ARG 6 CO 0.03 -0.46 0.24 -0.51 -0.81 0.00 0.00 175.30 173.79 1ti6 s LEU 7 N 2.23 2.55 0.08 -0.88 1.43 0.14 -4.90 118.68 119.33 1ti6 s LEU 7 Ca 0.17 -1.40 0.07 0.00 -1.03 0.00 0.00 54.13 51.94 1ti6 s LEU 7 Cb -0.16 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 1ti6 s LEU 7 CO 0.11 -0.99 -0.20 0.42 0.23 0.00 0.00 176.35 175.93 1ti6 s THR 8 N -2.81 1.60 0.15 5.49 -4.23 -1.26 0.41 115.64 114.99 1ti6 s THR 8 Ca 0.23 -1.39 -0.07 0.00 -1.18 0.00 0.00 61.69 59.28 1ti6 s THR 8 Cb -0.01 -1.44 0.03 0.00 1.34 0.00 0.00 72.50 72.42 1ti6 s THR 8 CO 0.14 -0.00 0.36 -3.20 -0.54 0.00 0.00 174.62 171.38 1ti6 n ASN 9 N 1.36 -0.92 -1.65 3.99 2.85 -0.88 -1.01 115.26 119.00 1ti6 n ASN 9 Ca -0.19 -1.61 -0.04 0.00 -0.11 0.00 0.00 54.58 52.63 1ti6 n ASN 9 Cb 0.54 1.53 -0.01 0.00 1.24 0.00 0.00 39.78 43.08 1ti6 n ASN 9 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ti6 n SER 10 N -1.14 -0.52 -3.45 1.20 2.88 -1.26 -1.22 113.62 110.10 1ti6 n SER 10 Ca -0.03 -1.61 -0.03 0.00 -1.33 0.00 0.00 58.87 55.88 1ti6 n SER 10 Cb 0.25 0.93 0.01 0.00 -0.75 0.00 0.00 64.21 64.66 1ti6 n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ti6 s SER 11 N -1.71 -0.02 0.00 -3.46 1.04 -0.97 -4.80 113.70 103.78 1ti6 s SER 11 Ca 0.09 -0.59 0.19 0.00 0.48 0.00 0.00 55.95 56.12 1ti6 s SER 11 Cb -0.01 0.46 1.09 0.00 0.10 0.00 0.00 66.02 67.66 1ti6 s SER 11 CO 0.06 -0.91 1.51 0.35 0.98 0.00 0.00 173.24 175.24 1ti6 n THR 12 N -0.68 0.06 0.01 2.02 -2.24 -1.26 -1.61 114.28 110.58 1ti6 n THR 12 Ca -0.03 0.02 0.02 0.00 -2.27 0.00 0.00 64.05 61.78 1ti6 n THR 12 Cb 0.60 -0.72 0.04 0.00 -2.10 0.00 0.00 70.33 68.14 1ti6 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ti6 n GLY 13 N 0.18 1.68 0.00 3.38 0.00 -1.26 -3.91 105.19 105.26 1ti6 n GLY 13 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ti6 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 14 N -0.05 3.05 3.76 -0.02 0.00 -0.64 -1.42 105.19 109.88 1ti6 n GLY 14 Ca 0.03 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1ti6 n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ti6 s PRO 15 N -2.84 2.69 0.05 1.61 0.02 -1.26 -2.28 135.00 132.99 1ti6 s PRO 15 Ca 0.00 1.45 -0.09 0.00 0.02 0.00 0.00 61.00 62.38 1ti6 s PRO 15 Cb 0.00 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1ti6 s PRO 15 CO 0.00 -1.35 0.19 0.14 -0.33 0.00 0.00 177.00 175.65 1ti6 s VAL 16 N -2.27 0.12 -0.16 3.83 -7.23 -0.36 -4.45 120.40 109.87 1ti6 s VAL 16 Ca 0.68 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.77 1ti6 s VAL 16 Cb -0.22 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1ti6 s VAL 16 CO 0.42 -0.54 0.20 -0.36 -0.31 0.00 0.00 175.10 174.51 1ti6 s PHE 17 N -2.90 3.47 -0.21 2.82 2.99 -0.18 -2.07 117.98 121.90 1ti6 s PHE 17 Ca -0.02 0.49 -0.00 0.00 0.00 0.00 0.00 56.93 57.39 1ti6 s PHE 17 Cb 0.01 -2.20 0.02 0.00 0.00 0.00 0.00 43.02 40.85 1ti6 s PHE 17 CO -0.06 0.36 -0.13 0.08 -0.00 0.00 0.00 175.22 175.47 1ti6 s VAL 18 N 0.11 2.48 -0.19 -0.44 1.01 0.17 -1.58 120.40 121.96 1ti6 s VAL 18 Ca 0.13 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 1ti6 s VAL 18 Cb -0.12 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1ti6 s VAL 18 CO 0.02 0.38 0.64 -0.31 0.00 0.00 0.00 175.10 175.83 1ti6 s TYR 19 N 1.31 3.38 0.03 5.22 1.51 -0.80 0.24 117.35 128.24 1ti6 s TYR 19 Ca 0.03 0.94 0.08 0.00 -1.01 0.00 0.00 57.07 57.11 1ti6 s TYR 19 Cb -0.15 -2.81 -0.02 0.00 -0.11 0.00 0.00 41.96 38.87 1ti6 s TYR 19 CO -0.09 -0.17 -0.22 0.08 -1.11 0.00 0.00 175.55 174.04 1ti6 s VAL 20 N 1.90 1.79 -0.11 0.71 1.01 0.34 -0.35 120.40 125.69 1ti6 s VAL 20 Ca 0.29 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1ti6 s VAL 20 Cb -0.16 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.74 1ti6 s VAL 20 CO 0.10 0.30 0.24 -0.75 0.00 0.00 0.00 175.10 175.00 1ti6 s LYS 21 N -1.06 0.18 -1.45 2.72 2.20 -0.35 -0.16 119.74 121.82 1ti6 s LYS 21 Ca 0.09 0.59 -0.07 0.00 -0.36 0.00 0.00 55.97 56.21 1ti6 s LYS 21 Cb -0.09 -0.11 0.05 0.00 -1.51 0.00 0.00 37.83 36.17 1ti6 s LYS 21 CO 0.01 -0.20 0.76 -0.25 -0.36 0.00 0.00 175.35 175.31 1ti6 n ASP 22 N 4.57 -2.54 -1.09 1.43 8.00 -1.26 -1.32 116.55 124.34 1ti6 n ASP 22 Ca -0.20 -0.86 -0.14 0.00 0.71 0.00 0.00 54.79 54.30 1ti6 n ASP 22 Cb 0.52 -3.67 -0.06 0.00 -0.02 0.00 0.00 41.12 37.89 1ti6 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ti6 n GLY 23 N -1.68 1.42 3.13 0.44 0.00 -1.26 -5.00 105.19 102.23 1ti6 n GLY 23 Ca -0.14 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 1ti6 n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ti6 s LYS 24 N -3.22 1.33 -0.09 1.61 2.20 -0.43 -4.70 119.74 116.43 1ti6 s LYS 24 Ca 0.00 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 1ti6 s LYS 24 Cb 0.00 -1.26 -0.02 0.00 -1.51 0.00 0.00 37.83 35.04 1ti6 s LYS 24 CO 0.00 0.31 1.09 0.42 -0.36 0.00 0.00 175.35 176.81 1ti6 s ILE 25 N -0.26 4.56 -0.17 5.43 1.01 -1.26 -1.21 121.20 129.30 1ti6 s ILE 25 Ca 0.04 1.85 -0.11 0.00 0.00 0.00 0.00 60.65 62.43 1ti6 s ILE 25 Cb -0.07 -4.19 -0.22 0.00 0.01 0.00 0.00 42.46 37.99 1ti6 s ILE 25 CO -0.00 -0.01 0.21 -0.38 0.00 0.00 0.00 174.94 174.76 1ti6 n ILE 26 N 4.63 1.66 -3.72 2.92 5.41 0.53 -4.97 119.36 125.82 1ti6 n ILE 26 Ca 0.10 -0.44 -0.08 0.00 1.00 0.00 0.00 62.75 63.33 1ti6 n ILE 26 Cb 0.48 -1.81 -0.02 0.00 -0.71 0.00 0.00 39.64 37.58 1ti6 n ILE 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ti6 s ARG 27 N -2.49 1.54 -0.04 0.38 1.70 -1.22 -5.02 118.95 113.80 1ti6 s ARG 27 Ca -0.27 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 54.21 1ti6 s ARG 27 Cb 0.07 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 35.05 1ti6 s ARG 27 CO 0.68 -0.70 -0.02 -1.64 -1.08 0.00 0.00 175.30 172.54 1ti6 s MET 28 N -3.76 0.57 0.17 3.89 -1.94 -1.26 -1.91 119.30 115.06 1ti6 s MET 28 Ca 0.08 0.01 0.01 0.00 -1.71 0.00 0.00 55.69 54.08 1ti6 s MET 28 Cb -0.04 -0.71 -0.05 0.00 2.01 0.00 0.00 34.83 36.05 1ti6 s MET 28 CO 0.01 -0.14 0.02 0.95 -0.01 0.00 0.00 175.02 175.85 1ti6 s THR 29 N 1.12 0.54 1.02 2.05 -4.23 -0.62 -4.94 115.64 110.59 1ti6 s THR 29 Ca -0.08 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 1ti6 s THR 29 Cb -0.14 -2.16 0.20 0.00 1.34 0.00 0.00 72.50 71.75 1ti6 s THR 29 CO -0.01 -0.42 1.08 -2.84 -0.54 0.00 0.00 174.62 171.88 1ti6 s PRO 30 N -3.96 0.24 -0.19 3.99 0.02 -1.26 -1.01 135.00 132.84 1ti6 s PRO 30 Ca 0.25 0.62 -0.06 0.00 0.02 0.00 0.00 61.00 61.84 1ti6 s PRO 30 Cb 0.07 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.85 1ti6 s PRO 30 CO 0.04 -2.89 0.02 -1.64 -0.33 0.00 0.00 177.00 172.21 1ti6 s MET 31 N -4.86 3.78 -0.05 5.54 -1.94 -1.26 -4.48 119.30 116.03 1ti6 s MET 31 Ca 0.66 -0.45 -0.16 0.00 -1.71 0.00 0.00 55.69 54.04 1ti6 s MET 31 Cb -0.20 -3.12 -0.05 0.00 2.01 0.00 0.00 34.83 33.47 1ti6 s MET 31 CO 0.59 0.15 0.42 -0.51 -0.01 0.00 0.00 175.02 175.66 1ti6 s ASP 32 N 0.66 6.74 0.55 3.03 1.01 -1.26 -1.00 116.67 126.39 1ti6 s ASP 32 Ca 0.01 0.88 -0.13 0.00 0.71 0.00 0.00 52.55 54.02 1ti6 s ASP 32 Cb -0.14 -2.26 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 1ti6 s ASP 32 CO 0.02 0.21 0.98 -0.36 0.21 0.00 0.00 175.17 176.23 1ti6 s PHE 33 N -0.46 3.53 -0.36 4.23 2.99 -0.63 -4.99 117.98 122.29 1ti6 s PHE 33 Ca 0.24 1.33 -0.06 0.00 0.00 0.00 0.00 56.93 58.44 1ti6 s PHE 33 Cb -0.16 -2.71 0.06 0.00 0.00 0.00 0.00 43.02 40.21 1ti6 s PHE 33 CO 0.12 -0.47 0.14 0.34 -0.00 0.00 0.00 175.22 175.35 1ti6 s ASP 34 N -3.58 5.31 0.14 1.36 -1.08 -1.26 -4.97 116.67 112.59 1ti6 s ASP 34 Ca 0.56 -1.41 0.10 0.00 -0.52 0.00 0.00 52.55 51.28 1ti6 s ASP 34 Cb -0.10 -1.86 0.52 0.00 -1.46 0.00 0.00 42.92 40.01 1ti6 s ASP 34 CO 0.41 -0.41 1.30 0.47 0.52 0.00 0.00 175.17 177.47 1ti6 n ASP 35 N 4.77 0.25 0.19 -0.34 8.00 -1.26 0.11 116.55 128.26 1ti6 n ASP 35 Ca -0.10 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.12 1ti6 n ASP 35 Cb 0.43 -0.65 0.12 0.00 -0.02 0.00 0.00 41.12 41.01 1ti6 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ti6 h ALA 36 N 2.02 0.87 0.00 2.24 0.00 -2.01 -3.38 119.26 119.00 1ti6 h ALA 36 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ti6 h ALA 36 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ti6 h ALA 36 CO 0.00 0.04 -0.28 1.33 0.00 0.00 0.00 179.25 180.35 1ti6 n VAL 37 N -3.02 0.00 -3.79 0.00 0.24 -0.44 -5.04 118.33 106.27 1ti6 n VAL 37 Ca 0.03 -0.12 -0.36 0.00 -2.04 0.00 0.00 64.34 61.85 1ti6 n VAL 37 Cb 0.55 0.60 -0.10 0.00 -1.47 0.00 0.00 33.84 33.42 1ti6 n VAL 37 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1ti6 s ASP 38 N -0.79 5.79 0.53 -1.34 1.01 0.12 -4.97 116.67 117.02 1ti6 s ASP 38 Ca 0.00 0.05 -0.20 0.00 0.71 0.00 0.00 52.55 53.11 1ti6 s ASP 38 Cb 0.00 -2.03 -0.09 0.00 1.01 0.00 0.00 42.92 41.81 1ti6 s ASP 38 CO 0.00 0.09 0.71 0.00 0.21 0.00 0.00 175.17 176.17 1ti6 n ALA 39 N 4.14 -0.67 -1.27 5.23 0.00 -1.26 -4.59 120.51 122.09 1ti6 n ALA 39 Ca -0.16 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 1ti6 n ALA 39 Cb 0.52 -1.93 0.10 0.00 0.00 0.00 0.00 19.45 18.15 1ti6 n ALA 39 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ti6 s PRO 40 N -2.14 1.98 0.74 0.00 0.02 -1.26 -4.96 135.00 129.38 1ti6 s PRO 40 Ca 0.69 1.72 -0.08 0.00 0.02 0.00 0.00 61.00 63.34 1ti6 s PRO 40 Cb -0.48 -1.82 0.07 0.00 0.02 0.00 0.00 34.50 32.29 1ti6 s PRO 40 CO 0.54 -1.94 1.06 -1.12 -0.33 0.00 0.00 177.00 175.20 1ti6 s SER 41 N -2.16 4.70 0.80 2.53 0.01 -1.26 -4.17 113.70 114.15 1ti6 s SER 41 Ca 0.73 0.52 -0.12 0.00 1.31 0.00 0.00 55.95 58.39 1ti6 s SER 41 Cb -0.28 -1.11 0.07 0.00 0.21 0.00 0.00 66.02 64.91 1ti6 s SER 41 CO 0.47 -1.70 1.12 -1.66 0.41 0.00 0.00 173.24 171.89 1ti6 s TRP 42 N -3.34 2.92 -0.00 2.43 1.48 -1.26 -4.93 118.94 116.25 1ti6 s TRP 42 Ca 0.61 0.97 0.00 0.00 -1.06 0.00 0.00 56.10 56.62 1ti6 s TRP 42 Cb -0.11 -3.25 0.00 0.00 -1.16 0.00 0.00 33.47 28.96 1ti6 s TRP 42 CO 0.46 -1.74 -0.01 0.15 -4.06 0.00 0.00 176.95 171.75 1ti6 s LYS 43 N -5.33 0.12 -0.12 3.25 1.02 -1.26 -4.45 119.74 112.98 1ti6 s LYS 43 Ca 0.61 -0.03 0.02 0.00 0.02 0.00 0.00 55.97 56.59 1ti6 s LYS 43 Cb -0.13 -0.15 0.01 0.00 -0.52 0.00 0.00 37.83 37.04 1ti6 s LYS 43 CO 0.52 0.01 -0.17 0.42 -0.92 0.00 0.00 175.35 175.21 1ti6 s ILE 44 N 0.11 1.67 -0.25 2.17 1.01 0.11 -4.96 121.20 121.06 1ti6 s ILE 44 Ca -0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 1ti6 s ILE 44 Cb -0.02 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1ti6 s ILE 44 CO -0.00 0.47 0.10 -1.61 0.00 0.00 0.00 174.94 173.90 1ti6 s GLU 45 N 0.90 3.75 -0.06 2.79 2.02 -1.26 0.11 118.70 126.95 1ti6 s GLU 45 Ca -0.08 -0.43 -0.18 0.00 0.02 0.00 0.00 54.97 54.30 1ti6 s GLU 45 Cb -0.15 -3.39 0.04 0.00 0.10 0.00 0.00 34.13 30.73 1ti6 s GLU 45 CO -0.01 -0.15 0.42 0.00 0.02 0.00 0.00 175.26 175.54 1ti6 s ALA 46 N 1.53 -1.06 -1.12 5.21 0.00 -0.21 -4.98 121.76 121.14 1ti6 s ALA 46 Ca 0.06 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 1ti6 s ALA 46 Cb -0.15 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1ti6 s ALA 46 CO 0.05 -0.27 0.05 0.54 0.00 0.00 0.00 175.76 176.13 1ti6 n ARG 47 N 1.63 -0.90 -1.00 0.00 1.74 -1.26 -0.42 116.66 116.45 1ti6 n ARG 47 Ca -0.19 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1ti6 n ARG 47 Cb 0.56 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 1ti6 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ti6 n GLY 48 N -2.13 0.57 3.27 -0.13 0.00 -1.26 -5.03 105.19 100.47 1ti6 n GLY 48 Ca -0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1ti6 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 49 N -0.06 1.18 -0.18 1.61 1.02 0.44 -5.14 119.74 118.61 1ti6 s LYS 49 Ca 0.00 -1.58 -0.00 0.00 0.02 0.00 0.00 55.97 54.41 1ti6 s LYS 49 Cb 0.00 -0.36 0.01 0.00 -0.52 0.00 0.00 37.83 36.96 1ti6 s LYS 49 CO 0.00 -0.12 -0.16 0.99 -0.92 0.00 0.00 175.35 175.14 1ti6 s THR 50 N -3.60 2.47 -0.18 2.17 2.01 -1.26 -1.05 115.64 116.20 1ti6 s THR 50 Ca 0.25 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 1ti6 s THR 50 Cb 0.06 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 1ti6 s THR 50 CO 0.05 0.51 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.10 1ti6 s PHE 51 N 1.24 3.00 -0.06 4.92 0.40 0.31 -4.94 117.98 122.85 1ti6 s PHE 51 Ca 0.03 -0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 55.84 1ti6 s PHE 51 Cb -0.14 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.40 1ti6 s PHE 51 CO -0.08 -0.20 0.15 -0.08 0.70 0.00 0.00 175.22 175.71 1ti6 s THR 52 N 0.76 -0.02 0.84 0.64 -1.32 -1.26 0.07 115.64 115.35 1ti6 s THR 52 Ca -0.01 0.07 -0.11 0.00 -1.21 0.00 0.00 61.69 60.43 1ti6 s THR 52 Cb -0.14 -0.23 0.10 0.00 -1.51 0.00 0.00 72.50 70.71 1ti6 s THR 52 CO 0.02 0.03 1.09 -2.16 -2.21 0.00 0.00 174.62 171.39 1ti6 s PRO 53 N 0.51 1.72 0.60 7.08 0.04 -1.26 -5.01 135.00 138.68 1ti6 s PRO 53 Ca -0.04 1.04 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 1ti6 s PRO 53 Cb -0.05 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1ti6 s PRO 53 CO -0.02 -1.98 1.16 -2.14 0.04 0.00 0.00 177.00 174.06 1ti6 s PRO 54 N -4.90 2.98 -0.70 0.56 0.02 -1.26 -4.88 135.00 126.82 1ti6 s PRO 54 Ca 0.62 1.66 -0.06 0.00 0.02 0.00 0.00 61.00 63.24 1ti6 s PRO 54 Cb -0.18 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.31 1ti6 s PRO 54 CO 0.57 -1.16 3.06 0.54 -0.33 0.00 0.00 177.00 179.68 1ti6 n ARG 55 N -1.78 2.92 -3.51 5.54 5.12 -1.26 -4.82 116.66 118.88 1ti6 n ARG 55 Ca 0.12 -2.01 -0.09 0.00 -1.93 0.00 0.00 57.85 53.93 1ti6 n ARG 55 Cb 0.51 -2.32 -0.02 0.00 -1.16 0.00 0.00 32.46 29.46 1ti6 n ARG 55 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1ti6 s LYS 56 N 0.23 1.10 0.55 5.56 2.20 -1.26 -1.60 119.74 126.51 1ti6 s LYS 56 Ca 0.64 -0.44 0.08 0.00 -0.36 0.00 0.00 55.97 55.89 1ti6 s LYS 56 Cb 0.28 0.48 0.06 0.00 -1.51 0.00 0.00 37.83 37.15 1ti6 s LYS 56 CO -0.08 -0.48 0.64 0.95 -0.36 0.00 0.00 175.35 176.01 1ti6 s THR 57 N -3.44 2.05 0.11 3.43 -4.23 -0.17 -5.00 115.64 108.38 1ti6 s THR 57 Ca 0.04 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1ti6 s THR 57 Cb -0.01 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1ti6 s THR 57 CO -0.09 0.00 -0.04 -0.94 -0.54 0.00 0.00 174.62 173.01 1ti6 s SER 58 N -4.50 1.01 0.18 3.99 1.04 -1.26 -4.39 113.70 109.77 1ti6 s SER 58 Ca 0.52 -1.06 0.05 0.00 0.48 0.00 0.00 55.95 55.94 1ti6 s SER 58 Cb -0.05 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 1ti6 s SER 58 CO 0.32 -0.53 -0.09 0.27 0.98 0.00 0.00 173.24 174.20 1ti6 s ILE 59 N -3.70 1.30 0.51 -1.02 -4.36 -1.26 -4.54 121.20 108.12 1ti6 s ILE 59 Ca 0.15 -2.09 -0.05 0.00 -0.26 0.00 0.00 60.65 58.39 1ti6 s ILE 59 Cb 0.06 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.73 1ti6 s ILE 59 CO -0.03 -0.61 0.80 0.00 0.24 0.00 0.00 174.94 175.35 1ti6 s ALA 60 N -3.25 3.41 0.26 2.27 0.00 -0.51 -4.39 121.76 119.55 1ti6 s ALA 60 Ca 0.21 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 1ti6 s ALA 60 Cb 0.02 -2.54 0.42 0.00 0.00 0.00 0.00 23.12 21.02 1ti6 s ALA 60 CO 0.04 -0.48 1.84 -1.35 0.00 0.00 0.00 175.76 175.81 1ti6 h PRO 61 N 0.13 0.92 0.00 0.00 0.11 -1.92 -1.37 132.00 129.88 1ti6 h PRO 61 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ti6 h PRO 61 Cb 1.22 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1ti6 h PRO 61 CO 0.61 0.61 0.00 0.10 -0.21 0.00 0.00 178.00 179.11 1ti6 h TYR 62 N 0.95 0.00 0.11 0.65 -0.00 -1.91 -2.22 116.97 114.55 1ti6 h TYR 62 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 58.80 1ti6 h TYR 62 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.02 1ti6 h TYR 62 CO -0.03 0.00 -1.93 1.15 -0.00 0.00 0.00 178.16 177.35 1ti6 h THR 63 N 0.00 0.69 -0.99 -0.90 2.02 -1.63 -3.06 112.91 109.04 1ti6 h THR 63 Ca 0.00 -2.42 0.11 0.00 0.77 0.00 0.00 66.41 64.87 1ti6 h THR 63 Cb 0.36 2.52 -0.08 0.00 -1.74 0.00 0.00 68.15 69.21 1ti6 h THR 63 CO 0.00 0.84 0.63 0.00 0.37 0.00 0.00 175.52 177.36 1ti6 h ALA 64 N 0.22 1.51 -0.45 6.16 0.00 -0.73 -1.72 119.26 124.26 1ti6 h ALA 64 Ca -0.39 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1ti6 h ALA 64 Cb 2.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1ti6 h ALA 64 CO 0.10 0.27 0.02 0.41 0.00 0.00 0.00 179.25 180.05 1ti6 n GLY 65 N -1.36 3.57 0.32 0.00 0.00 -0.96 -4.64 105.19 102.12 1ti6 n GLY 65 Ca 0.18 -1.00 0.20 0.00 0.00 0.00 0.00 46.02 45.40 1ti6 n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ti6 h PHE 66 N 2.85 0.00 -0.07 1.61 3.57 -1.20 -2.30 116.94 121.40 1ti6 h PHE 66 Ca 0.03 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ti6 h PHE 66 Cb 1.78 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.51 1ti6 h PHE 66 CO 0.85 0.01 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.66 1ti6 h LYS 67 N 0.00 0.10 0.00 1.11 3.64 -1.82 -1.21 116.57 118.39 1ti6 h LYS 67 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ti6 h LYS 67 Cb 0.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1ti6 h LYS 67 CO 0.00 0.17 0.00 0.66 -2.27 0.00 0.00 179.45 178.01 1ti6 h SER 68 N 0.10 0.00 0.41 4.20 4.64 -1.79 -2.22 113.55 118.88 1ti6 h SER 68 Ca 0.02 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.03 1ti6 h SER 68 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1ti6 h SER 68 CO 0.01 0.00 -1.66 0.24 -0.87 0.00 0.00 176.83 174.55 1ti6 h MET 69 N 0.00 0.18 -0.09 4.77 2.86 -1.38 -2.72 114.93 118.55 1ti6 h MET 69 Ca 0.00 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1ti6 h MET 69 Cb 0.53 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1ti6 h MET 69 CO 0.00 0.98 0.04 0.82 1.06 0.00 0.00 176.91 179.81 1ti6 h ILE 70 N 0.05 1.13 -0.63 -1.22 2.04 -1.23 -2.92 117.51 114.73 1ti6 h ILE 70 Ca -0.28 -0.40 -0.23 0.00 1.00 0.00 0.00 64.86 64.95 1ti6 h ILE 70 Cb 2.01 1.24 -0.14 0.00 -0.74 0.00 0.00 36.82 39.19 1ti6 h ILE 70 CO 0.12 0.12 0.29 -1.22 0.00 0.00 0.00 178.15 177.47 1ti6 n TYR 71 N -4.94 2.04 -2.05 1.37 4.01 -0.86 -4.95 117.16 111.79 1ti6 n TYR 71 Ca -0.06 -1.12 -0.39 0.00 -0.16 0.00 0.00 57.90 56.17 1ti6 n TYR 71 Cb 0.11 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 1ti6 n TYR 71 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ti6 s SER 72 N -0.69 6.14 0.00 7.72 0.15 -1.03 -4.91 113.70 121.09 1ti6 s SER 72 Ca 0.43 2.61 0.31 0.00 0.70 0.00 0.00 55.95 60.00 1ti6 s SER 72 Cb 0.35 -2.63 1.61 0.00 -1.71 0.00 0.00 66.02 63.63 1ti6 s SER 72 CO 0.10 -0.96 2.07 -0.90 1.20 0.00 0.00 173.24 174.75 1ti6 n ASP 73 N -0.14 0.24 -1.21 5.45 5.68 -1.26 -2.53 116.55 122.78 1ti6 n ASP 73 Ca 0.05 -0.77 0.12 0.00 -0.50 0.00 0.00 54.79 53.69 1ti6 n ASP 73 Cb 0.44 -0.08 0.24 0.00 -1.14 0.00 0.00 41.12 40.59 1ti6 n ASP 73 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ti6 n LEU 74 N -0.94 3.61 -4.75 -2.12 4.77 -1.26 -4.93 117.00 111.37 1ti6 n LEU 74 Ca 0.19 -1.63 -0.41 0.00 -0.03 0.00 0.00 56.01 54.13 1ti6 n LEU 74 Cb 0.20 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1ti6 n LEU 74 CO 0.20 0.81 1.10 -0.60 -1.33 0.00 0.00 177.39 177.57 1ti6 s ARG 75 N -1.36 4.27 -0.14 3.23 6.06 -1.05 -0.03 118.95 129.92 1ti6 s ARG 75 Ca 0.41 2.30 -0.29 0.00 -2.50 0.00 0.00 55.73 55.65 1ti6 s ARG 75 Cb 0.23 -3.10 -0.04 0.00 0.06 0.00 0.00 34.95 32.10 1ti6 s ARG 75 CO 0.32 -0.41 1.72 0.42 -2.50 0.00 0.00 175.30 174.86 1ti6 s ILE 76 N -0.11 3.52 0.15 4.11 1.01 0.05 -4.73 121.20 125.19 1ti6 s ILE 76 Ca 0.58 0.60 -0.13 0.00 0.00 0.00 0.00 60.65 61.71 1ti6 s ILE 76 Cb -0.42 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1ti6 s ILE 76 CO 0.44 -0.16 1.61 -0.65 0.00 0.00 0.00 174.94 176.19 1ti6 h PRO 77 N 10.76 0.84 -2.46 2.79 0.11 -1.90 -3.43 132.00 138.70 1ti6 h PRO 77 Ca -0.38 -0.25 0.16 0.00 0.11 0.00 0.00 66.00 65.64 1ti6 h PRO 77 Cb 1.18 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1ti6 h PRO 77 CO 0.98 0.86 0.50 1.52 -0.21 0.00 0.00 178.00 181.65 1ti6 s TYR 78 N -5.08 -0.03 0.36 0.65 -0.85 -1.26 -1.15 117.35 109.97 1ti6 s TYR 78 Ca -0.13 -0.34 -0.28 0.00 -0.52 0.00 0.00 57.07 55.81 1ti6 s TYR 78 Cb 0.11 0.68 -0.12 0.00 0.38 0.00 0.00 41.96 43.02 1ti6 s TYR 78 CO 0.81 -0.93 1.38 -2.30 -1.52 0.00 0.00 175.55 173.00 1ti6 n PRO 79 N -0.56 2.38 -4.19 -3.49 -0.02 -1.25 -4.63 135.00 123.23 1ti6 n PRO 79 Ca -0.05 0.83 -0.18 0.00 -2.02 0.00 0.00 63.50 62.08 1ti6 n PRO 79 Cb 0.60 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.48 1ti6 n PRO 79 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1ti6 s MET 80 N -1.96 0.88 -0.02 -0.52 -1.94 -0.54 -1.86 119.30 113.34 1ti6 s MET 80 Ca 0.55 -1.04 0.03 0.00 -1.71 0.00 0.00 55.69 53.52 1ti6 s MET 80 Cb -0.53 -0.85 -0.00 0.00 2.01 0.00 0.00 34.83 35.46 1ti6 s MET 80 CO 0.63 0.18 -0.11 0.21 -0.01 0.00 0.00 175.02 175.91 1ti6 s LYS 81 N -2.01 1.06 -0.03 2.03 2.20 -0.06 -0.85 119.74 122.07 1ti6 s LYS 81 Ca 0.01 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1ti6 s LYS 81 Cb -0.08 -0.99 -0.05 0.00 -1.51 0.00 0.00 37.83 35.19 1ti6 s LYS 81 CO 0.02 0.20 1.53 0.50 -0.36 0.00 0.00 175.35 177.25 1ti6 s ARG 82 N -0.07 4.22 0.24 4.03 3.52 0.02 -1.31 118.95 129.60 1ti6 s ARG 82 Ca 0.01 2.08 -0.05 0.00 -0.13 0.00 0.00 55.73 57.64 1ti6 s ARG 82 Cb -0.07 -3.78 0.42 0.00 -1.56 0.00 0.00 34.95 29.96 1ti6 s ARG 82 CO 0.00 -0.73 1.77 0.87 -0.81 0.00 0.00 175.30 176.40 1ti6 h LYS 83 N 8.68 0.57 0.00 5.12 1.57 -1.40 -1.41 116.57 129.69 1ti6 h LYS 83 Ca -0.38 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1ti6 h LYS 83 Cb 1.17 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1ti6 h LYS 83 CO 0.94 0.38 0.00 -1.13 -0.57 0.00 0.00 179.45 179.06 1ti6 n SER 84 N -4.89 0.00 -4.59 0.86 3.41 -1.26 -4.73 113.62 102.42 1ti6 n SER 84 Ca 0.13 -0.79 -0.37 0.00 -0.26 0.00 0.00 58.87 57.59 1ti6 n SER 84 Cb 0.34 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.19 1ti6 n SER 84 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ti6 s PHE 85 N -2.00 3.23 -0.26 7.33 5.36 -0.53 -4.27 117.98 126.84 1ti6 s PHE 85 Ca 0.36 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.40 1ti6 s PHE 85 Cb 0.17 -2.30 0.07 0.00 -0.34 0.00 0.00 43.02 40.62 1ti6 s PHE 85 CO 0.28 -0.09 -0.00 0.34 -1.46 0.00 0.00 175.22 174.28 1ti6 s ASP 86 N 1.40 3.90 0.29 6.13 2.15 -0.90 -4.85 116.67 124.79 1ti6 s ASP 86 Ca 0.07 -1.36 0.03 0.00 0.43 0.00 0.00 52.55 51.72 1ti6 s ASP 86 Cb -0.15 -1.11 0.70 0.00 -0.30 0.00 0.00 42.92 42.06 1ti6 s ASP 86 CO 0.07 -0.30 1.69 -0.65 -0.17 0.00 0.00 175.17 175.81 1ti6 h PRO 87 N 7.97 0.36 -0.63 4.34 0.11 -1.97 -1.07 132.00 141.12 1ti6 h PRO 87 Ca -0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1ti6 h PRO 87 Cb 1.06 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1ti6 h PRO 87 CO 0.43 0.24 0.00 0.09 -0.21 0.00 0.00 178.00 178.55 1ti6 n ASN 88 N -5.07 5.15 0.00 -2.05 4.13 -1.26 -4.95 115.26 111.21 1ti6 n ASN 88 Ca 0.21 -2.69 0.00 0.00 1.68 0.00 0.00 54.58 53.78 1ti6 n ASN 88 Cb 0.63 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ti6 n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ti6 n GLY 89 N 0.84 3.80 3.64 7.41 0.00 -0.40 -5.10 105.19 115.37 1ti6 n GLY 89 Ca 0.26 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1ti6 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ti6 s GLU 90 N 3.83 4.00 0.24 1.61 0.41 -1.25 -4.85 118.70 122.68 1ti6 s GLU 90 Ca 0.00 1.31 0.24 0.00 -0.41 0.00 0.00 54.97 56.11 1ti6 s GLU 90 Cb 0.00 -3.84 0.41 0.00 -1.78 0.00 0.00 34.13 28.92 1ti6 s GLU 90 CO 0.00 -1.01 1.47 0.00 -0.49 0.00 0.00 175.26 175.23 1ti6 h ARG 91 N 8.93 0.00 -6.82 1.61 3.08 -1.83 -2.38 114.38 116.97 1ti6 h ARG 91 Ca -0.25 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.27 1ti6 h ARG 91 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 1ti6 h ARG 91 CO 1.02 0.00 -1.09 0.09 -1.07 0.00 0.00 179.97 178.92 1ti6 n ASN 92 N -2.49 -4.64 -0.19 7.04 3.02 -1.26 -4.48 115.26 112.26 1ti6 n ASN 92 Ca 0.03 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1ti6 n ASN 92 Cb 0.48 -1.62 0.25 0.00 -0.61 0.00 0.00 39.78 38.29 1ti6 n ASN 92 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1ti6 h PRO 93 N -0.86 0.93 0.00 3.52 0.11 -1.90 -2.32 132.00 131.48 1ti6 h PRO 93 Ca -0.66 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1ti6 h PRO 93 Cb 1.41 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ti6 h PRO 93 CO 0.40 0.64 0.00 0.00 -0.21 0.00 0.00 178.00 178.84 1ti6 n GLN 94 N -4.41 0.06 -0.13 1.05 0.00 -1.26 -2.41 117.38 110.29 1ti6 n GLN 94 Ca 0.07 0.27 0.12 0.00 0.00 0.00 0.00 57.00 57.46 1ti6 n GLN 94 Cb 0.06 -1.50 0.21 0.00 0.00 0.00 0.00 30.24 29.00 1ti6 n GLN 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ti6 n LEU 95 N -1.42 3.18 -4.70 2.61 4.77 -0.87 -4.86 117.00 115.71 1ti6 n LEU 95 Ca 0.04 -1.29 -0.42 0.00 -0.03 0.00 0.00 56.01 54.30 1ti6 n LEU 95 Cb 0.11 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1ti6 n LEU 95 CO 0.09 0.65 1.17 -0.13 -1.33 0.00 0.00 177.39 177.84 1ti6 s ARG 96 N -1.65 4.26 0.00 3.23 0.52 -1.01 -1.51 118.95 122.79 1ti6 s ARG 96 Ca 0.36 2.16 0.00 0.00 -0.52 0.00 0.00 55.73 57.73 1ti6 s ARG 96 Cb 0.22 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 32.28 1ti6 s ARG 96 CO 0.31 -0.58 0.00 0.41 0.02 0.00 0.00 175.30 175.46 1ti6 n GLY 97 N 3.70 0.54 0.38 -3.53 0.00 -1.21 -4.77 105.19 100.29 1ti6 n GLY 97 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1ti6 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 h ALA 98 N 0.00 1.29 -0.77 4.61 0.00 -1.56 -0.76 119.26 122.08 1ti6 h ALA 98 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ti6 h ALA 98 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 1ti6 h ALA 98 CO 0.00 0.66 0.44 0.78 0.00 0.00 0.00 179.25 181.13 1ti6 h GLY 99 N 1.35 1.13 0.97 0.00 0.00 -1.82 -2.21 103.07 102.48 1ti6 h GLY 99 Ca 0.37 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1ti6 h GLY 99 CO -0.08 0.47 0.21 -2.00 0.00 0.00 0.00 176.54 175.14 1ti6 h LEU 100 N 1.05 0.50 -2.74 3.11 5.85 -1.56 0.32 115.31 121.84 1ti6 h LEU 100 Ca 0.27 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1ti6 h LEU 100 Cb -0.00 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1ti6 h LEU 100 CO -0.05 0.46 0.05 0.28 -0.34 0.00 0.00 178.44 178.84 1ti6 h SER 101 N 0.51 0.00 -0.25 1.25 0.02 -0.60 0.50 113.55 114.99 1ti6 h SER 101 Ca 0.14 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1ti6 h SER 101 Cb 0.07 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 1ti6 h SER 101 CO -0.02 0.00 -0.06 2.29 -1.14 0.00 0.00 176.83 177.90 1ti6 n LYS 102 N -3.26 2.17 -2.76 3.45 2.85 -0.73 -4.17 118.16 115.71 1ti6 n LYS 102 Ca -0.03 -2.97 -0.17 0.00 -1.05 0.00 0.00 58.31 54.10 1ti6 n LYS 102 Cb 0.12 -1.77 -0.00 0.00 -0.65 0.00 0.00 35.03 32.73 1ti6 n LYS 102 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1ti6 n GLN 103 N -0.93 -2.83 -3.09 -1.58 3.00 0.17 -4.89 117.38 107.22 1ti6 n GLN 103 Ca 0.25 0.63 -0.20 0.00 -0.01 0.00 0.00 57.00 57.67 1ti6 n GLN 103 Cb 0.90 -5.29 -0.04 0.00 0.00 0.00 0.00 30.24 25.81 1ti6 n GLN 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1ti6 n ASP 104 N -2.03 -0.46 -0.09 1.08 2.03 0.10 -5.00 116.55 112.18 1ti6 n ASP 104 Ca -0.11 -2.86 -0.08 0.00 0.52 0.00 0.00 54.79 52.26 1ti6 n ASP 104 Cb 0.60 -0.08 -0.01 0.00 -0.72 0.00 0.00 41.12 40.90 1ti6 n ASP 104 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ti6 h PRO 105 N 3.91 -0.24 0.00 -0.67 0.11 -1.88 -2.75 132.00 130.48 1ti6 h PRO 105 Ca 0.02 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1ti6 h PRO 105 Cb 0.92 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1ti6 h PRO 105 CO 0.43 -0.16 -0.01 -1.49 -0.21 0.00 0.00 178.00 176.56 1ti6 h TRP 106 N -0.25 0.00 0.00 0.65 4.06 -1.96 -2.61 115.95 115.84 1ti6 h TRP 106 Ca 0.16 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.11 1ti6 h TRP 106 Cb 0.51 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1ti6 h TRP 106 CO -0.49 0.01 -0.01 0.66 -3.56 0.00 0.00 178.44 175.05 1ti6 h SER 107 N 0.00 0.00 1.07 -3.49 4.64 -1.87 -1.90 113.55 111.99 1ti6 h SER 107 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ti6 h SER 107 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ti6 h SER 107 CO 0.00 0.01 0.00 0.44 -0.87 0.00 0.00 176.83 176.41 1ti6 h ASP 108 N 0.00 0.00 -2.65 4.97 3.32 -1.61 -3.46 116.42 116.98 1ti6 h ASP 108 Ca -0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1ti6 h ASP 108 Cb 0.16 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.56 1ti6 h ASP 108 CO 0.00 0.00 -0.76 -0.31 -1.72 0.00 0.00 179.24 176.45 1ti6 s TYR 109 N -3.39 2.41 0.09 4.55 1.51 -0.72 -0.98 117.35 120.82 1ti6 s TYR 109 Ca 0.04 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.85 1ti6 s TYR 109 Cb 0.09 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.79 1ti6 s TYR 109 CO 0.50 0.60 -0.12 -1.83 -1.11 0.00 0.00 175.55 173.59 1ti6 s GLU 110 N -3.15 0.84 0.28 -0.62 -1.05 -0.43 -4.88 118.70 109.69 1ti6 s GLU 110 Ca 0.26 -1.05 -0.29 0.00 -0.15 0.00 0.00 54.97 53.75 1ti6 s GLU 110 Cb -0.07 -0.71 -0.09 0.00 -0.44 0.00 0.00 34.13 32.82 1ti6 s GLU 110 CO 0.14 0.14 1.07 0.50 0.95 0.00 0.00 175.26 178.06 1ti6 s ARG 111 N -2.19 4.65 0.11 -4.83 3.52 -1.26 -0.88 118.95 118.07 1ti6 s ARG 111 Ca 0.01 1.74 -0.02 0.00 -0.13 0.00 0.00 55.73 57.34 1ti6 s ARG 111 Cb -0.07 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 1ti6 s ARG 111 CO 0.02 0.24 0.06 0.96 -0.81 0.00 0.00 175.30 175.76 1ti6 s ILE 112 N -1.19 0.13 0.61 4.11 -4.36 -0.78 -4.87 121.20 114.85 1ti6 s ILE 112 Ca 0.45 -1.83 -0.08 0.00 -0.26 0.00 0.00 60.65 58.93 1ti6 s ILE 112 Cb -0.30 -1.89 -0.00 0.00 1.25 0.00 0.00 42.46 41.51 1ti6 s ILE 112 CO 0.39 -0.58 0.96 -0.94 0.24 0.00 0.00 174.94 175.01 1ti6 s SER 113 N -3.01 5.72 0.23 4.36 1.04 -1.26 -3.95 113.70 116.83 1ti6 s SER 113 Ca 0.19 0.95 -0.06 0.00 0.48 0.00 0.00 55.95 57.51 1ti6 s SER 113 Cb 0.07 -1.93 0.23 0.00 0.10 0.00 0.00 66.02 64.48 1ti6 s SER 113 CO -0.01 -1.06 1.83 -0.50 0.98 0.00 0.00 173.24 174.48 1ti6 h TRP 114 N -0.28 1.19 -0.64 5.02 4.06 -1.98 -0.26 115.95 123.06 1ti6 h TRP 114 Ca -0.45 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 60.43 1ti6 h TRP 114 Cb 1.24 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 29.00 1ti6 h TRP 114 CO 0.52 0.86 0.36 0.22 -3.56 0.00 0.00 178.44 176.84 1ti6 h ASP 115 N 1.18 0.79 0.27 -3.49 3.58 -1.99 -1.30 116.42 115.45 1ti6 h ASP 115 Ca 0.28 -0.08 -0.25 0.00 0.42 0.00 0.00 57.03 57.40 1ti6 h ASP 115 Cb 0.12 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 40.98 1ti6 h ASP 115 CO -0.04 0.64 -1.05 -0.08 -2.88 0.00 0.00 179.24 175.84 1ti6 h GLU 116 N 0.87 0.49 -0.09 0.28 4.81 -1.89 -2.15 114.58 116.90 1ti6 h GLU 116 Ca 0.23 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1ti6 h GLU 116 Cb 0.02 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ti6 h GLU 116 CO -0.04 1.21 0.06 0.00 -0.73 0.00 0.00 179.01 179.51 1ti6 h ALA 117 N 0.58 0.12 -0.21 2.92 0.00 -0.91 -0.78 119.26 120.98 1ti6 h ALA 117 Ca -0.11 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1ti6 h ALA 117 Cb 1.70 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1ti6 h ALA 117 CO 0.19 -0.38 -0.33 1.79 0.00 0.00 0.00 179.25 180.52 1ti6 h THR 118 N 0.11 1.28 -0.57 0.00 1.35 -1.31 -1.64 112.91 112.14 1ti6 h THR 118 Ca 0.03 -1.40 -0.03 0.00 -0.55 0.00 0.00 66.41 64.46 1ti6 h THR 118 Cb 0.00 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 67.88 1ti6 h THR 118 CO -0.01 0.44 0.23 0.44 -0.25 0.00 0.00 175.52 176.37 1ti6 h ASP 119 N 0.37 0.78 -0.54 5.36 3.32 -1.08 0.21 116.42 124.85 1ti6 h ASP 119 Ca 0.05 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 1ti6 h ASP 119 Cb 0.76 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1ti6 h ASP 119 CO 0.06 0.73 0.19 0.40 -1.72 0.00 0.00 179.24 178.90 1ti6 h ILE 120 N 0.78 1.23 -0.30 0.35 2.04 -0.91 -0.50 117.51 120.20 1ti6 h ILE 120 Ca 0.19 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 1ti6 h ILE 120 Cb 0.19 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1ti6 h ILE 120 CO -0.02 0.28 -0.08 0.58 0.00 0.00 0.00 178.15 178.91 1ti6 h VAL 121 N 0.73 1.28 -0.72 1.67 2.07 -1.03 -2.59 116.25 117.66 1ti6 h VAL 121 Ca 0.18 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1ti6 h VAL 121 Cb 0.24 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1ti6 h VAL 121 CO -0.01 0.36 0.47 0.58 0.02 0.00 0.00 177.57 178.99 1ti6 h VAL 122 N 0.35 1.16 -0.97 2.57 2.07 -0.41 -0.32 116.25 120.70 1ti6 h VAL 122 Ca 0.08 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1ti6 h VAL 122 Cb 0.57 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1ti6 h VAL 122 CO 0.03 0.17 0.64 0.00 0.02 0.00 0.00 177.57 178.44 1ti6 h ALA 123 N 1.28 1.24 -0.39 1.67 0.00 -1.01 -1.01 119.26 121.05 1ti6 h ALA 123 Ca 0.27 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1ti6 h ALA 123 Cb -0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 1ti6 h ALA 123 CO -0.07 0.60 -0.38 0.93 0.00 0.00 0.00 179.25 180.33 1ti6 h GLU 124 N 1.30 0.93 0.03 0.00 4.39 -1.01 -2.23 114.58 117.99 1ti6 h GLU 124 Ca 0.36 -0.48 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1ti6 h GLU 124 Cb -0.12 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1ti6 h GLU 124 CO -0.09 1.14 -0.02 0.82 -1.16 0.00 0.00 179.01 179.71 1ti6 h ILE 125 N 0.76 1.01 -0.17 3.13 2.04 -0.54 -1.95 117.51 121.79 1ti6 h ILE 125 Ca 0.06 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 1ti6 h ILE 125 Cb 0.97 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1ti6 h ILE 125 CO 0.09 0.03 -0.35 0.78 0.00 0.00 0.00 178.15 178.70 1ti6 h ASN 126 N -0.10 0.36 0.06 1.72 2.35 -1.23 -1.27 115.58 117.47 1ti6 h ASN 126 Ca -0.00 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1ti6 h ASN 126 Cb 0.09 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1ti6 h ASN 126 CO 0.01 0.69 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.36 1ti6 h ARG 127 N 0.30 -0.08 -0.77 0.81 2.43 -1.29 -2.27 114.38 113.51 1ti6 h ARG 127 Ca 0.03 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1ti6 h ARG 127 Cb 0.76 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 1ti6 h ARG 127 CO 0.06 0.19 0.35 0.82 -1.51 0.00 0.00 179.97 179.88 1ti6 h ILE 128 N -0.35 1.25 -0.53 1.20 2.04 -1.30 -1.71 117.51 118.13 1ti6 h ILE 128 Ca -0.01 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1ti6 h ILE 128 Cb 0.31 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1ti6 h ILE 128 CO 0.01 0.31 0.25 0.11 0.00 0.00 0.00 178.15 178.83 1ti6 h LYS 129 N 1.10 0.76 0.00 2.37 1.57 -1.19 0.50 116.57 121.67 1ti6 h LYS 129 Ca 0.26 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1ti6 h LYS 129 Cb 0.16 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1ti6 h LYS 129 CO -0.03 0.63 0.00 0.45 -0.57 0.00 0.00 179.45 179.94 1ti6 h HIS 130 N 0.70 0.00 0.00 -1.35 3.86 -1.25 -1.01 115.15 116.10 1ti6 h HIS 130 Ca 0.18 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 59.03 1ti6 h HIS 130 Cb 0.13 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.53 1ti6 h HIS 130 CO -0.00 0.00 -2.36 0.00 0.86 0.00 0.00 177.93 176.43 1ti6 n ALA 131 N -1.94 1.50 0.00 2.45 0.00 -0.66 -4.80 120.51 117.06 1ti6 n ALA 131 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1ti6 n ALA 131 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1ti6 n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ti6 n TYR 132 N -2.99 0.00 0.00 0.00 4.01 0.16 -5.08 117.16 113.26 1ti6 n TYR 132 Ca -0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 1ti6 n TYR 132 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 1ti6 n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ti6 n GLY 133 N 2.27 2.41 0.42 2.72 0.00 -0.38 -4.62 105.19 108.00 1ti6 n GLY 133 Ca 0.00 -1.94 0.22 0.00 0.00 0.00 0.00 46.02 44.31 1ti6 n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ti6 h PRO 134 N 0.00 0.21 0.00 1.61 0.11 -1.85 -1.03 132.00 131.05 1ti6 h PRO 134 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ti6 h PRO 134 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1ti6 h PRO 134 CO 0.00 0.14 0.00 0.66 -0.21 0.00 0.00 178.00 178.59 1ti6 h SER 135 N 0.21 0.00 0.42 -2.05 4.64 -1.85 -1.55 113.55 113.38 1ti6 h SER 135 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1ti6 h SER 135 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1ti6 h SER 135 CO -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 1ti6 n ALA 136 N -2.00 2.40 -3.06 5.18 0.00 -0.39 -4.23 120.51 118.41 1ti6 n ALA 136 Ca -0.01 -0.14 -0.44 0.00 0.00 0.00 0.00 53.44 52.84 1ti6 n ALA 136 Cb 0.13 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.06 1ti6 n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ti6 s ILE 137 N -2.47 5.09 0.16 0.00 1.01 -0.58 -0.43 121.20 123.98 1ti6 s ILE 137 Ca 0.29 -1.25 -0.22 0.00 0.00 0.00 0.00 60.65 59.47 1ti6 s ILE 137 Cb 0.19 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.46 1ti6 s ILE 137 CO 0.40 -0.66 0.71 -0.22 0.00 0.00 0.00 174.94 175.17 1ti6 s LEU 138 N 1.60 4.50 -0.05 2.97 2.96 0.98 -0.41 118.68 131.23 1ti6 s LEU 138 Ca 0.04 1.48 -0.18 0.00 -0.22 0.00 0.00 54.13 55.24 1ti6 s LEU 138 Cb -0.26 -3.28 0.04 0.00 0.50 0.00 0.00 46.19 43.19 1ti6 s LEU 138 CO 0.05 0.17 0.41 -0.55 -1.32 0.00 0.00 176.35 175.11 1ti6 s SER 139 N -1.29 -0.33 -0.29 3.68 0.15 -0.51 0.17 113.70 115.28 1ti6 s SER 139 Ca 0.36 0.35 -0.20 0.00 0.70 0.00 0.00 55.95 57.17 1ti6 s SER 139 Cb -0.20 0.46 0.13 0.00 -1.71 0.00 0.00 66.02 64.70 1ti6 s SER 139 CO 0.23 -0.43 0.97 0.28 1.20 0.00 0.00 173.24 175.49 1ti6 s THR 140 N -1.03 0.00 0.00 6.45 -1.32 -1.12 -2.44 115.64 116.18 1ti6 s THR 140 Ca -0.11 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1ti6 s THR 140 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 1ti6 s THR 140 CO 0.05 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.65 1ti6 n PRO 141 N 3.15 3.41 -3.63 7.08 -0.04 -1.26 -2.16 135.00 141.55 1ti6 n PRO 141 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 1ti6 n PRO 141 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 1ti6 n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ti6 n SER 142 N 0.00 -0.75 -0.13 3.54 2.88 -1.26 -4.80 113.62 113.10 1ti6 n SER 142 Ca 0.00 -2.62 -0.04 0.00 -1.33 0.00 0.00 58.87 54.88 1ti6 n SER 142 Cb 0.00 1.57 0.03 0.00 -0.75 0.00 0.00 64.21 65.05 1ti6 n SER 142 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ti6 h SER 143 N 1.57 -0.37 -1.32 -3.46 0.02 -1.99 -3.45 113.55 104.56 1ti6 h SER 143 Ca -0.19 0.13 -0.52 0.00 -0.84 0.00 0.00 61.79 60.36 1ti6 h SER 143 Cb 0.93 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 1ti6 h SER 143 CO 0.27 -0.13 -0.37 -1.00 -1.14 0.00 0.00 176.83 174.46 1ti6 s HIS 144 N -6.21 2.44 0.14 3.45 3.76 -1.26 -5.10 115.29 112.50 1ti6 s HIS 144 Ca -0.14 -0.58 -0.24 0.00 -0.15 0.00 0.00 55.06 53.94 1ti6 s HIS 144 Cb 0.15 -2.09 0.07 0.00 1.11 0.00 0.00 32.58 31.82 1ti6 s HIS 144 CO 0.71 -0.17 0.75 -1.58 -0.85 0.00 0.00 174.74 173.60 1ti6 s HIS 145 N -2.56 -0.37 0.33 1.40 2.46 -1.26 -5.06 115.29 110.24 1ti6 s HIS 145 Ca 0.45 0.12 -0.29 0.00 0.47 0.00 0.00 55.06 55.81 1ti6 s HIS 145 Cb -0.02 0.59 -0.12 0.00 -0.13 0.00 0.00 32.58 32.91 1ti6 s HIS 145 CO 0.26 -0.84 1.42 -1.33 -2.47 0.00 0.00 174.74 171.78 1ti6 n MET 146 N -0.37 2.38 -1.88 2.88 2.81 -1.26 -4.84 117.12 116.84 1ti6 n MET 146 Ca -0.11 0.84 -0.38 0.00 -1.81 0.00 0.00 57.70 56.24 1ti6 n MET 146 Cb 0.62 -2.51 0.04 0.00 -0.71 0.00 0.00 33.22 30.66 1ti6 n MET 146 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1ti6 s TRP 147 N -0.79 2.37 0.00 2.03 -0.00 -1.26 -4.76 118.94 116.52 1ti6 s TRP 147 Ca 0.58 1.43 0.00 0.00 -0.00 0.00 0.00 56.10 58.10 1ti6 s TRP 147 Cb -0.54 -3.69 0.00 0.00 -0.00 0.00 0.00 33.47 29.24 1ti6 s TRP 147 CO 0.59 -2.61 0.00 0.41 -0.00 0.00 0.00 176.95 175.34 1ti6 n GLY 148 N 0.68 3.38 0.19 5.86 0.00 -1.26 -4.74 105.19 109.29 1ti6 n GLY 148 Ca 0.11 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1ti6 n GLY 148 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ti6 h ASN 149 N 0.00 0.53 -0.31 1.61 4.21 -1.57 -1.66 115.58 118.39 1ti6 h ASN 149 Ca 0.00 -0.13 -0.14 0.00 1.21 0.00 0.00 56.30 57.23 1ti6 h ASN 149 Cb 0.00 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.05 1ti6 h ASN 149 CO 0.00 0.51 -0.34 0.58 -1.29 0.00 0.00 177.43 176.90 1ti6 h VAL 150 N 0.51 1.28 -0.01 2.81 2.07 -1.95 -3.14 116.25 117.82 1ti6 h VAL 150 Ca 0.14 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1ti6 h VAL 150 Cb 0.13 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1ti6 h VAL 150 CO -0.02 0.50 -0.10 0.61 0.02 0.00 0.00 177.57 178.58 1ti6 n GLY 151 N 0.00 -0.51 3.72 2.17 0.00 -1.21 -3.11 105.19 106.25 1ti6 n GLY 151 Ca -0.01 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 1ti6 n GLY 151 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ti6 s TYR 152 N -2.26 2.04 0.34 1.61 5.04 -0.63 -4.48 117.35 119.01 1ti6 s TYR 152 Ca 0.33 1.63 0.05 0.00 -2.44 0.00 0.00 57.07 56.63 1ti6 s TYR 152 Cb 0.20 -3.42 0.69 0.00 0.35 0.00 0.00 41.96 39.79 1ti6 s TYR 152 CO 0.43 -2.55 1.92 0.07 -1.34 0.00 0.00 175.55 174.08 1ti6 h ARG 153 N -0.56 0.80 0.00 4.97 0.11 -1.91 0.15 114.38 117.95 1ti6 h ARG 153 Ca -0.47 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.57 1ti6 h ARG 153 Cb 1.29 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1ti6 h ARG 153 CO 0.49 0.53 0.00 0.72 0.10 0.00 0.00 179.97 181.81 1ti6 n HIS 154 N -4.50 0.44 0.00 4.08 8.25 -1.26 -2.35 115.22 119.88 1ti6 n HIS 154 Ca 0.13 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1ti6 n HIS 154 Cb 0.27 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.58 1ti6 n HIS 154 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ti6 n SER 155 N -1.91 0.00 0.00 0.41 2.88 0.42 -4.46 113.62 110.96 1ti6 n SER 155 Ca 0.02 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.43 1ti6 n SER 155 Cb 0.14 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.52 1ti6 n SER 155 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ti6 h THR 156 N 0.00 1.20 -0.01 2.46 2.02 -1.19 -1.76 112.91 115.62 1ti6 h THR 156 Ca 0.00 -0.58 0.03 0.00 0.77 0.00 0.00 66.41 66.62 1ti6 h THR 156 Cb 0.00 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1ti6 h THR 156 CO 0.00 0.16 -0.20 0.22 0.37 0.00 0.00 175.52 176.06 1ti6 h TYR 157 N -0.18 -0.54 -0.66 3.16 3.20 -1.68 -2.64 116.97 117.63 1ti6 h TYR 157 Ca 0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1ti6 h TYR 157 Cb 0.25 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1ti6 h TYR 157 CO 0.01 -0.29 0.15 0.74 -1.64 0.00 0.00 178.16 177.13 1ti6 h PHE 158 N -0.32 1.11 -0.92 -3.82 0.05 -1.50 -0.99 116.94 110.55 1ti6 h PHE 158 Ca 0.06 -0.14 0.07 0.00 3.82 0.00 0.00 57.97 61.79 1ti6 h PHE 158 Cb 0.40 -0.31 -0.07 0.00 2.00 0.00 0.00 35.95 37.97 1ti6 h PHE 158 CO -0.25 0.92 0.58 -0.09 -0.18 0.00 0.00 178.31 179.29 1ti6 h ARG 159 N 0.98 1.00 0.11 1.51 2.43 -1.12 -1.35 114.38 117.93 1ti6 h ARG 159 Ca 0.20 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1ti6 h ARG 159 Cb 0.38 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1ti6 h ARG 159 CO 0.00 0.66 -0.05 0.35 -1.51 0.00 0.00 179.97 179.43 1ti6 h PHE 160 N 1.03 -0.13 -0.95 2.20 3.57 -1.33 -3.32 116.94 118.01 1ti6 h PHE 160 Ca 0.41 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 62.03 1ti6 h PHE 160 Cb 0.22 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.93 1ti6 h PHE 160 CO -0.02 0.23 0.60 0.52 -2.23 0.00 0.00 178.31 177.42 1ti6 h MET 161 N -0.98 0.86 0.00 1.11 2.86 -1.14 0.22 114.93 117.87 1ti6 h MET 161 Ca -0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1ti6 h MET 161 Cb 0.42 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1ti6 h MET 161 CO 0.02 0.57 -0.06 -0.91 1.06 0.00 0.00 176.91 177.59 1ti6 h ASN 162 N 0.88 0.00 0.50 1.22 -0.26 -1.39 0.58 115.58 117.11 1ti6 h ASN 162 Ca 0.47 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.21 1ti6 h ASN 162 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1ti6 h ASN 162 CO -0.23 0.06 -0.76 0.23 -1.06 0.00 0.00 177.43 175.67 1ti6 n MET 163 N -3.58 0.16 -0.06 0.81 2.81 0.02 -4.60 117.12 112.68 1ti6 n MET 163 Ca -0.02 0.02 -0.12 0.00 -1.81 0.00 0.00 57.70 55.76 1ti6 n MET 163 Cb 0.17 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 31.07 1ti6 n MET 163 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1ti6 n MET 164 N -1.78 0.28 0.00 0.03 0.00 -0.55 -5.11 117.12 109.99 1ti6 n MET 164 Ca 0.04 0.12 0.00 0.00 -0.00 0.00 0.00 57.70 57.86 1ti6 n MET 164 Cb 0.39 -0.98 0.00 0.00 0.00 0.00 0.00 33.22 32.63 1ti6 n MET 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ti6 n GLY 165 N 2.22 3.43 3.59 -5.12 0.00 0.09 -4.91 105.19 104.49 1ti6 n GLY 165 Ca -0.23 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.14 1ti6 n GLY 165 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ti6 s PHE 166 N 3.99 -0.02 -0.26 1.61 -0.12 -1.25 -4.78 117.98 117.13 1ti6 s PHE 166 Ca 0.00 -0.03 -0.09 0.00 -0.05 0.00 0.00 56.93 56.76 1ti6 s PHE 166 Cb 0.00 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 1ti6 s PHE 166 CO 0.00 -0.14 0.12 0.99 -0.05 0.00 0.00 175.22 176.14 1ti6 s THR 167 N -2.22 4.70 -0.01 -4.49 2.01 0.45 -4.42 115.64 111.66 1ti6 s THR 167 Ca 0.14 -0.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.91 1ti6 s THR 167 Cb 0.06 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 1ti6 s THR 167 CO -0.05 0.29 0.51 -0.47 -0.69 0.00 0.00 174.62 174.21 1ti6 s TYR 168 N 1.67 3.69 -1.12 4.92 5.04 -1.26 -1.43 117.35 128.86 1ti6 s TYR 168 Ca 0.07 1.09 -0.14 0.00 -2.44 0.00 0.00 57.07 55.65 1ti6 s TYR 168 Cb -0.16 -2.48 0.17 0.00 0.35 0.00 0.00 41.96 39.85 1ti6 s TYR 168 CO 0.07 0.45 1.31 0.00 -1.34 0.00 0.00 175.55 176.03 1ti6 s ALA 169 N -0.49 3.93 0.33 3.97 0.00 -1.02 -1.77 121.76 126.71 1ti6 s ALA 169 Ca 0.27 -3.27 -0.29 0.00 0.00 0.00 0.00 51.96 48.68 1ti6 s ALA 169 Cb -0.17 -4.03 -0.12 0.00 0.00 0.00 0.00 23.12 18.79 1ti6 s ALA 169 CO 0.15 -2.75 1.36 -3.47 0.00 0.00 0.00 175.76 171.05 1ti6 n ASP 170 N 5.51 3.00 -4.74 0.00 -0.08 -0.58 -4.26 116.55 115.40 1ti6 n ASP 170 Ca 0.32 1.20 -0.41 0.00 -1.51 0.00 0.00 54.79 54.38 1ti6 n ASP 170 Cb 0.44 -1.51 -0.04 0.00 2.34 0.00 0.00 41.12 42.36 1ti6 n ASP 170 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1ti6 s HIS 171 N -0.90 3.54 0.58 -0.67 3.76 -1.26 -1.81 115.29 118.53 1ti6 s HIS 171 Ca 0.57 1.53 -0.17 0.00 -0.15 0.00 0.00 55.06 56.84 1ti6 s HIS 171 Cb -0.56 -3.33 -0.04 0.00 1.11 0.00 0.00 32.58 29.76 1ti6 s HIS 171 CO 0.60 -0.81 1.07 0.54 -0.85 0.00 0.00 174.74 175.29 1ti6 s ASN 172 N 0.08 5.78 -1.32 1.40 4.22 -1.26 -3.45 114.94 120.39 1ti6 s ASN 172 Ca 0.51 1.90 -0.11 0.00 -2.14 0.00 0.00 52.86 53.03 1ti6 s ASN 172 Cb -0.30 -2.55 -0.06 0.00 1.28 0.00 0.00 41.25 39.62 1ti6 s ASN 172 CO 0.35 -1.17 2.49 -0.81 -2.04 0.00 0.00 177.10 175.92 1ti6 n PRO 173 N -1.82 2.88 -0.33 3.55 -0.04 -1.26 -4.74 135.00 133.25 1ti6 n PRO 173 Ca 0.09 -2.03 -0.01 0.00 -0.04 0.00 0.00 63.50 61.51 1ti6 n PRO 173 Cb 0.52 -2.80 0.05 0.00 -0.04 0.00 0.00 33.50 31.23 1ti6 n PRO 173 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1ti6 h ASP 174 N 5.83 -1.25 -0.86 3.54 3.04 -1.98 0.29 116.42 125.03 1ti6 h ASP 174 Ca 0.67 0.28 0.02 0.00 -3.24 0.00 0.00 57.03 54.77 1ti6 h ASP 174 Cb 0.35 0.67 -0.05 0.00 -1.04 0.00 0.00 39.33 39.27 1ti6 h ASP 174 CO 1.73 -0.29 0.57 0.28 -2.04 0.00 0.00 179.24 179.48 1ti6 h SER 175 N -0.04 0.95 -0.00 4.15 0.02 -2.00 -3.23 113.55 113.40 1ti6 h SER 175 Ca 0.34 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1ti6 h SER 175 Cb 0.60 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1ti6 h SER 175 CO -0.90 0.67 -0.84 0.79 -1.14 0.00 0.00 176.83 175.40 1ti6 n TRP 176 N -4.43 0.00 0.00 3.45 8.01 -0.10 -4.57 117.44 119.80 1ti6 n TRP 176 Ca 0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.30 1ti6 n TRP 176 Cb 0.07 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.37 1ti6 n TRP 176 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1ti6 n GLU 177 N -1.06 0.00 -0.23 -0.99 -0.58 0.82 0.01 120.64 118.61 1ti6 n GLU 177 Ca 0.06 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.82 1ti6 n GLU 177 Cb 0.37 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.39 1ti6 n GLU 177 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1ti6 h GLY 178 N 0.00 1.00 1.38 0.62 0.00 -0.43 0.81 103.07 106.45 1ti6 h GLY 178 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 1ti6 h GLY 178 CO 0.00 -0.05 -0.22 1.49 0.00 0.00 0.00 176.54 177.75 1ti6 h TRP 179 N 0.44 0.81 0.18 5.60 4.06 -0.68 0.78 115.95 127.14 1ti6 h TRP 179 Ca 0.36 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 61.12 1ti6 h TRP 179 Cb 0.50 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1ti6 h TRP 179 CO -0.17 0.88 -0.09 1.25 -3.56 0.00 0.00 178.44 176.76 1ti6 h HIS 180 N 0.63 -0.22 0.00 0.49 2.76 -0.20 0.29 115.15 118.90 1ti6 h HIS 180 Ca 0.09 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1ti6 h HIS 180 Cb 0.72 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1ti6 h HIS 180 CO 0.03 0.20 -0.25 0.91 -1.30 0.00 0.00 177.93 177.53 1ti6 n TRP 181 N -4.94 0.32 0.05 5.26 7.02 0.19 -4.18 117.44 121.15 1ti6 n TRP 181 Ca -0.08 0.09 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 1ti6 n TRP 181 Cb 0.26 -0.57 0.00 0.00 -2.42 0.00 0.00 31.31 28.58 1ti6 n TRP 181 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ti6 n GLY 182 N 1.43 -0.04 0.37 6.99 0.00 0.16 -4.84 105.19 109.25 1ti6 n GLY 182 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1ti6 n GLY 182 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 183 N 0.00 1.41 0.47 -0.02 0.00 -0.70 -2.37 103.07 101.85 1ti6 h GLY 183 Ca 0.00 -0.35 0.16 0.00 0.00 0.00 0.00 47.33 47.14 1ti6 h GLY 183 CO 0.00 0.11 0.57 1.98 0.00 0.00 0.00 176.54 179.20 1ti6 h MET 184 N 0.82 0.57 0.00 4.80 -1.53 -0.60 0.18 114.93 119.16 1ti6 h MET 184 Ca 0.47 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.69 1ti6 h MET 184 Cb 0.64 -0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 31.56 1ti6 h MET 184 CO -0.24 0.37 -0.05 0.45 0.14 0.00 0.00 176.91 177.58 1ti6 h HIS 185 N 0.58 0.00 0.13 1.39 3.86 -1.71 0.64 115.15 120.04 1ti6 h HIS 185 Ca 0.45 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 59.30 1ti6 h HIS 185 Cb 0.86 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.32 1ti6 h HIS 185 CO -0.00 0.05 -1.93 1.98 0.86 0.00 0.00 177.93 178.89 1ti6 h MET 186 N 0.00 0.27 0.00 2.45 -1.53 -1.06 -3.42 114.93 111.63 1ti6 h MET 186 Ca -0.00 -0.46 0.00 0.00 -3.44 0.00 0.00 59.70 55.80 1ti6 h MET 186 Cb 0.71 0.17 0.00 0.00 -0.55 0.00 0.00 31.60 31.94 1ti6 h MET 186 CO 0.01 1.19 0.00 -2.67 0.14 0.00 0.00 176.91 175.58 1ti6 n TRP 187 N -3.47 0.00 0.00 1.39 4.27 -0.78 0.12 117.44 118.96 1ti6 n TRP 187 Ca -0.29 -0.07 0.00 0.00 -3.89 0.00 0.00 57.50 53.25 1ti6 n TRP 187 Cb 1.05 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 31.00 1ti6 n TRP 187 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ti6 n GLY 188 N -0.07 1.00 3.51 -1.67 0.00 0.22 -4.36 105.19 103.82 1ti6 n GLY 188 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 1ti6 n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ti6 n PHE 189 N 9.89 -2.36 -0.04 1.61 3.01 -1.26 -4.21 117.46 124.10 1ti6 n PHE 189 Ca 0.00 0.79 0.02 0.00 1.01 0.00 0.00 57.45 59.27 1ti6 n PHE 189 Cb 0.00 -4.36 0.36 0.00 -0.01 0.00 0.00 39.48 35.46 1ti6 n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ti6 h SER 190 N -1.99 0.55 0.46 4.37 4.64 -1.90 0.13 113.55 119.80 1ti6 h SER 190 Ca -0.55 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1ti6 h SER 190 Cb 1.36 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ti6 h SER 190 CO 0.59 0.46 0.00 4.11 -0.87 0.00 0.00 176.83 181.12 1ti6 h TRP 191 N 0.62 0.00 -0.25 4.77 0.09 -1.87 0.13 115.95 119.44 1ti6 h TRP 191 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.14 1ti6 h TRP 191 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.29 1ti6 h TRP 191 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 1ti6 n ARG 192 N -2.44 2.78 -3.44 0.12 1.74 -0.44 -4.29 116.66 110.69 1ti6 n ARG 192 Ca 0.00 -2.31 -0.25 0.00 -0.77 0.00 0.00 57.85 54.52 1ti6 n ARG 192 Cb 0.16 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.16 1ti6 n ARG 192 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ti6 n LEU 193 N -0.12 -2.30 0.00 0.55 4.77 0.47 -2.16 117.00 118.20 1ti6 n LEU 193 Ca 0.14 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1ti6 n LEU 193 Cb 0.59 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.12 1ti6 n LEU 193 CO 0.09 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1ti6 n GLY 194 N -1.49 1.10 3.86 -0.72 0.00 0.32 -2.62 105.19 105.64 1ti6 n GLY 194 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1ti6 n GLY 194 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ti6 s ASN 195 N -1.73 6.67 0.46 1.61 0.01 -0.92 -4.68 114.94 116.36 1ti6 s ASN 195 Ca 0.00 1.31 -0.09 0.00 -0.71 0.00 0.00 52.86 53.37 1ti6 s ASN 195 Cb 0.00 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 1ti6 s ASN 195 CO 0.00 -0.35 0.81 -2.16 -1.51 0.00 0.00 177.10 173.89 1ti6 s PRO 196 N -3.50 3.68 0.80 -0.60 0.04 -1.26 -4.69 135.00 129.47 1ti6 s PRO 196 Ca 0.54 0.42 -0.11 0.00 0.04 0.00 0.00 61.00 61.90 1ti6 s PRO 196 Cb -0.10 -2.34 0.07 0.00 0.04 0.00 0.00 34.50 32.17 1ti6 s PRO 196 CO 0.24 -0.16 1.09 -1.83 0.04 0.00 0.00 177.00 176.38 1ti6 s GLU 197 N -4.32 2.08 -0.00 4.56 -1.05 -1.26 -4.92 118.70 113.79 1ti6 s GLU 197 Ca 0.51 0.96 0.00 0.00 -0.15 0.00 0.00 54.97 56.29 1ti6 s GLU 197 Cb -0.10 -1.89 0.00 0.00 -0.44 0.00 0.00 34.13 31.70 1ti6 s GLU 197 CO 0.39 -1.71 0.57 1.04 0.95 0.00 0.00 175.26 176.49 1ti6 n GLN 198 N -3.54 0.32 -1.55 -4.83 1.13 -1.26 -4.82 117.38 102.84 1ti6 n GLN 198 Ca 0.08 -0.62 -0.46 0.00 -1.94 0.00 0.00 57.00 54.05 1ti6 n GLN 198 Cb 0.54 -0.56 -0.02 0.00 0.11 0.00 0.00 30.24 30.31 1ti6 n GLN 198 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1ti6 n TYR 199 N -0.06 0.89 -2.39 1.08 4.02 -1.26 -2.96 117.16 116.47 1ti6 n TYR 199 Ca 0.00 0.76 -0.08 0.00 -0.01 0.00 0.00 57.90 58.57 1ti6 n TYR 199 Cb 0.48 -2.19 -0.01 0.00 -0.02 0.00 0.00 39.34 37.60 1ti6 n TYR 199 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1ti6 n ASP 200 N 1.52 -2.84 0.14 7.72 10.43 -1.24 -1.57 116.55 130.71 1ti6 n ASP 200 Ca 0.12 0.30 0.03 0.00 2.57 0.00 0.00 54.79 57.81 1ti6 n ASP 200 Cb 0.29 -2.48 0.03 0.00 1.84 0.00 0.00 41.12 40.80 1ti6 n ASP 200 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1ti6 h LEU 201 N 0.00 0.00 -0.08 0.64 3.38 -1.42 -3.30 115.31 114.53 1ti6 h LEU 201 Ca -0.19 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1ti6 h LEU 201 Cb 1.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1ti6 h LEU 201 CO 0.22 0.45 -0.07 0.25 0.09 0.00 0.00 178.44 179.39 1ti6 h LEU 202 N 0.00 -0.21 -0.62 1.67 5.85 -1.64 0.31 115.31 120.68 1ti6 h LEU 202 Ca -0.02 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1ti6 h LEU 202 Cb 1.36 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 1ti6 h LEU 202 CO 0.06 -0.09 0.16 -0.08 -0.34 0.00 0.00 178.44 178.14 1ti6 h GLU 203 N -0.08 0.98 -0.44 1.25 4.81 -1.78 -0.05 114.58 119.27 1ti6 h GLU 203 Ca 0.06 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1ti6 h GLU 203 Cb 0.16 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1ti6 h GLU 203 CO -0.13 0.89 0.17 0.22 -0.73 0.00 0.00 179.01 179.43 1ti6 h ASP 204 N 0.90 0.18 -0.31 1.04 1.82 -1.51 -1.19 116.42 117.35 1ti6 h ASP 204 Ca 0.19 0.05 -0.05 0.00 -0.39 0.00 0.00 57.03 56.83 1ti6 h ASP 204 Cb 0.34 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1ti6 h ASP 204 CO 0.00 0.14 -0.00 1.23 -1.61 0.00 0.00 179.24 178.99 1ti6 h GLY 205 N 0.34 0.59 1.89 -0.78 0.00 -0.06 -0.33 103.07 104.72 1ti6 h GLY 205 Ca 0.21 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1ti6 h GLY 205 CO -0.20 0.40 -0.00 1.41 0.00 0.00 0.00 176.54 178.15 1ti6 h LEU 206 N 0.34 0.13 0.12 3.11 3.38 -0.72 0.16 115.31 121.84 1ti6 h LEU 206 Ca 0.09 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.74 1ti6 h LEU 206 Cb 0.45 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ti6 h LEU 206 CO 0.02 0.17 -1.49 0.11 0.09 0.00 0.00 178.44 177.34 1ti6 h LYS 207 N 0.15 0.25 0.00 1.13 1.57 -1.02 -3.42 116.57 115.24 1ti6 h LYS 207 Ca 0.04 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1ti6 h LYS 207 Cb 0.11 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1ti6 h LYS 207 CO 0.00 1.13 -1.26 0.72 -0.57 0.00 0.00 179.45 179.48 1ti6 n HIS 208 N -3.46 0.00 -1.64 -1.35 8.25 -0.15 -4.81 115.22 112.05 1ti6 n HIS 208 Ca -0.15 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.85 1ti6 n HIS 208 Cb 1.04 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.96 1ti6 n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ti6 n ALA 209 N -1.87 0.59 0.00 -1.41 0.00 0.56 -4.71 120.51 113.66 1ti6 n ALA 209 Ca -0.04 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1ti6 n ALA 209 Cb 0.34 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1ti6 n ALA 209 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ti6 n GLU 210 N 1.99 2.63 -3.70 0.00 1.02 -0.51 -4.77 120.64 117.30 1ti6 n GLU 210 Ca 0.13 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.13 1ti6 n GLU 210 Cb 0.29 -0.87 -0.09 0.00 -0.02 0.00 0.00 31.44 30.76 1ti6 n GLU 210 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1ti6 s MET 211 N -1.67 0.69 -0.06 3.49 0.00 -0.88 -1.72 119.30 119.14 1ti6 s MET 211 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 55.69 55.96 1ti6 s MET 211 Cb 0.00 0.32 0.02 0.00 0.00 0.00 0.00 34.83 35.17 1ti6 s MET 211 CO 0.00 -0.16 -0.09 0.42 0.00 0.00 0.00 175.02 175.19 1ti6 s ILE 212 N -0.62 0.88 -0.41 10.11 1.01 -0.12 -1.17 121.20 130.88 1ti6 s ILE 212 Ca -0.07 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 1ti6 s ILE 212 Cb -0.03 -0.84 0.06 0.00 0.01 0.00 0.00 42.46 41.65 1ti6 s ILE 212 CO 0.04 0.30 0.26 -0.69 0.00 0.00 0.00 174.94 174.85 1ti6 s VAL 213 N 0.82 4.48 -0.59 2.92 1.01 -0.40 -1.48 120.40 127.16 1ti6 s VAL 213 Ca -0.12 -1.18 -0.23 0.00 0.00 0.00 0.00 61.98 60.45 1ti6 s VAL 213 Cb -0.15 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.63 1ti6 s VAL 213 CO 0.02 -0.43 0.92 -0.36 0.00 0.00 0.00 175.10 175.25 1ti6 s PHE 214 N 1.50 2.77 -0.29 5.22 0.08 0.17 -0.16 117.98 127.26 1ti6 s PHE 214 Ca 0.03 -0.27 -0.06 0.00 0.12 0.00 0.00 56.93 56.75 1ti6 s PHE 214 Cb -0.22 -4.11 0.01 0.00 -0.57 0.00 0.00 43.02 38.13 1ti6 s PHE 214 CO 0.04 -1.44 0.05 -0.46 -0.10 0.00 0.00 175.22 173.31 1ti6 s TRP 215 N 3.89 3.13 -1.41 0.36 -0.11 -0.46 -0.41 118.94 123.93 1ti6 s TRP 215 Ca 0.26 -1.08 -0.08 0.00 1.22 0.00 0.00 56.10 56.42 1ti6 s TRP 215 Cb -0.15 -2.22 0.04 0.00 -1.50 0.00 0.00 33.47 29.64 1ti6 s TRP 215 CO 0.15 -0.60 0.96 0.45 -4.62 0.00 0.00 176.95 173.29 1ti6 n SER 216 N 4.83 -3.96 -3.84 5.86 2.88 -0.36 -1.61 113.62 117.42 1ti6 n SER 216 Ca -0.15 -0.72 -0.21 0.00 -1.33 0.00 0.00 58.87 56.46 1ti6 n SER 216 Cb 0.48 -4.29 -0.17 0.00 -0.75 0.00 0.00 64.21 59.48 1ti6 n SER 216 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ti6 s SER 217 N -3.68 1.16 -0.47 -3.46 0.15 -1.26 -3.31 113.70 102.83 1ti6 s SER 217 Ca 0.42 -0.11 0.06 0.00 0.70 0.00 0.00 55.95 57.02 1ti6 s SER 217 Cb -0.20 -0.43 0.21 0.00 -1.71 0.00 0.00 66.02 63.88 1ti6 s SER 217 CO 0.79 -0.11 0.47 -0.67 1.20 0.00 0.00 173.24 174.93 1ti6 n ASP 218 N 4.48 0.68 -0.30 5.45 -0.08 -1.26 -4.89 116.55 120.63 1ti6 n ASP 218 Ca -0.18 -2.72 0.10 0.00 -1.51 0.00 0.00 54.79 50.48 1ti6 n ASP 218 Cb 0.50 -0.62 0.26 0.00 2.34 0.00 0.00 41.12 43.61 1ti6 n ASP 218 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ti6 h PRO 219 N 4.81 0.53 -0.60 -0.67 0.11 -1.90 -1.44 132.00 132.85 1ti6 h PRO 219 Ca 0.17 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1ti6 h PRO 219 Cb 0.85 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 1ti6 h PRO 219 CO 0.50 0.35 0.34 0.93 -0.21 0.00 0.00 178.00 179.91 1ti6 h GLU 220 N 0.55 0.82 0.16 1.05 4.39 -1.94 0.84 114.58 120.45 1ti6 h GLU 220 Ca 0.51 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 1ti6 h GLU 220 Cb 0.83 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1ti6 h GLU 220 CO -0.43 0.61 -0.08 1.15 -1.16 0.00 0.00 179.01 179.10 1ti6 h THR 221 N 0.81 0.86 0.00 1.13 2.02 -1.78 -3.37 112.91 112.58 1ti6 h THR 221 Ca 0.21 -1.11 -0.22 0.00 0.77 0.00 0.00 66.41 66.06 1ti6 h THR 221 Cb 0.02 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1ti6 h THR 221 CO -0.04 0.22 -1.16 0.78 0.37 0.00 0.00 175.52 175.69 1ti6 h ASN 222 N -0.84 0.00 -1.38 4.18 2.35 -1.33 -3.48 115.58 115.08 1ti6 h ASN 222 Ca -0.02 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.35 1ti6 h ASN 222 Cb 0.53 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.76 1ti6 h ASN 222 CO 0.04 0.96 -0.36 -1.54 -1.65 0.00 0.00 177.43 174.88 1ti6 n SER 223 N -3.25 -4.98 0.00 5.81 3.41 0.29 -2.86 113.62 112.03 1ti6 n SER 223 Ca -0.04 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1ti6 n SER 223 Cb 0.96 -4.41 0.00 0.00 -0.26 0.00 0.00 64.21 60.49 1ti6 n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ti6 n GLY 224 N -0.43 1.93 3.65 5.00 0.00 -1.24 -4.24 105.19 109.85 1ti6 n GLY 224 Ca -0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 1ti6 n GLY 224 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ti6 s ILE 225 N 0.00 0.00 0.00 -0.61 2.07 -1.14 -4.69 121.20 116.83 1ti6 s ILE 225 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1ti6 s ILE 225 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1ti6 s ILE 225 CO 0.00 0.00 0.00 -1.22 -1.91 0.00 0.00 174.94 171.81 1ti6 n TYR 226 N 2.04 0.00 -1.01 3.50 0.53 -1.25 -4.85 117.16 116.13 1ti6 n TYR 226 Ca -0.12 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 56.79 1ti6 n TYR 226 Cb 0.57 -1.71 0.33 0.00 -1.03 0.00 0.00 39.34 37.49 1ti6 n TYR 226 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1ti6 n ALA 227 N 1.00 3.88 -0.41 -0.72 0.00 -1.26 -4.02 120.51 118.98 1ti6 n ALA 227 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 53.44 51.21 1ti6 n ALA 227 Cb 0.27 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1ti6 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 228 N -0.02 2.52 1.75 0.00 0.00 -1.26 -1.75 105.19 106.43 1ti6 n GLY 228 Ca 0.30 0.36 -0.08 0.00 0.00 0.00 0.00 46.02 46.61 1ti6 n GLY 228 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ti6 n PHE 229 N 8.74 1.37 -0.07 1.61 3.01 -1.26 -4.62 117.46 126.23 1ti6 n PHE 229 Ca 0.00 -1.79 0.05 0.00 1.01 0.00 0.00 57.45 56.72 1ti6 n PHE 229 Cb 0.00 -0.27 0.39 0.00 -0.01 0.00 0.00 39.48 39.59 1ti6 n PHE 229 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1ti6 h GLU 230 N 1.81 0.63 -0.00 -1.08 4.39 -1.66 -2.97 114.58 115.70 1ti6 h GLU 230 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ti6 h GLU 230 Cb 1.39 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1ti6 h GLU 230 CO 0.36 0.42 -0.28 -1.13 -1.16 0.00 0.00 179.01 177.22 1ti6 n SER 231 N -4.47 0.61 -0.22 1.42 3.41 -1.26 -4.29 113.62 108.82 1ti6 n SER 231 Ca 0.06 -0.45 0.02 0.00 -0.26 0.00 0.00 58.87 58.23 1ti6 n SER 231 Cb 0.11 0.06 0.13 0.00 -0.26 0.00 0.00 64.21 64.25 1ti6 n SER 231 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ti6 h ASN 232 N 0.52 0.22 0.21 4.04 -0.73 -1.90 -1.48 115.58 116.46 1ti6 h ASN 232 Ca 0.00 0.09 -0.06 0.00 1.87 0.00 0.00 56.30 58.20 1ti6 h ASN 232 Cb 0.47 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 1ti6 h ASN 232 CO 0.00 0.12 -0.25 -0.29 -0.37 0.00 0.00 177.43 176.63 1ti6 h ILE 233 N 0.41 1.20 -0.60 2.57 2.10 -1.81 -2.52 117.51 118.87 1ti6 h ILE 233 Ca 0.34 -0.96 -0.10 0.00 1.08 0.00 0.00 64.86 65.22 1ti6 h ILE 233 Cb 0.45 1.46 -0.02 0.00 -1.09 0.00 0.00 36.82 37.62 1ti6 h ILE 233 CO -0.34 0.28 -0.03 0.03 -1.08 0.00 0.00 178.15 177.01 1ti6 h ARG 234 N 0.07 1.08 0.00 2.19 3.08 -1.54 -1.12 114.38 118.14 1ti6 h ARG 234 Ca 0.01 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.64 1ti6 h ARG 234 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1ti6 h ARG 234 CO 0.03 1.06 -0.29 0.00 -1.07 0.00 0.00 179.97 179.71 1ti6 h ARG 235 N 0.97 0.00 -0.36 0.04 3.08 -1.27 -2.22 114.38 114.63 1ti6 h ARG 235 Ca 0.17 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1ti6 h ARG 235 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1ti6 h ARG 235 CO 0.04 0.29 -0.02 0.37 -1.07 0.00 0.00 179.97 179.58 1ti6 h GLN 236 N 0.00 0.65 0.03 0.04 5.75 -0.97 0.20 115.11 120.80 1ti6 h GLN 236 Ca -0.00 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.28 1ti6 h GLN 236 Cb 0.90 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.40 1ti6 h GLN 236 CO 0.04 0.77 -0.01 -1.49 -2.65 0.00 0.00 178.83 175.48 1ti6 h TRP 237 N 0.45 -0.03 -0.54 3.99 6.55 -0.95 0.74 115.95 126.16 1ti6 h TRP 237 Ca 0.10 -0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.96 1ti6 h TRP 237 Cb 0.49 0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 28.77 1ti6 h TRP 237 CO 0.04 -0.02 0.33 -0.07 -1.05 0.00 0.00 178.44 177.68 1ti6 h LEU 238 N -0.04 0.55 -0.37 -4.49 3.38 -1.32 -0.15 115.31 112.87 1ti6 h LEU 238 Ca -0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ti6 h LEU 238 Cb 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1ti6 h LEU 238 CO 0.01 0.39 0.22 0.50 0.09 0.00 0.00 178.44 179.64 1ti6 h LYS 239 N 0.67 0.43 0.00 1.13 3.64 -0.67 -0.97 116.57 120.79 1ti6 h LYS 239 Ca 0.21 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1ti6 h LYS 239 Cb -0.01 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1ti6 h LYS 239 CO -0.08 0.28 0.00 -0.25 -2.27 0.00 0.00 179.45 177.13 1ti6 n ASP 240 N -4.88 0.59 -0.36 4.20 8.00 0.23 -1.25 116.55 123.07 1ti6 n ASP 240 Ca 0.01 0.65 0.14 0.00 0.71 0.00 0.00 54.79 56.29 1ti6 n ASP 240 Cb 0.06 -0.77 0.46 0.00 -0.02 0.00 0.00 41.12 40.85 1ti6 n ASP 240 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ti6 n LEU 241 N -2.15 1.24 0.00 0.64 4.77 -0.12 -4.93 117.00 116.45 1ti6 n LEU 241 Ca 0.02 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1ti6 n LEU 241 Cb 0.22 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ti6 n LEU 241 CO 0.19 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1ti6 n GLY 242 N 1.25 0.79 3.72 -0.72 0.00 -0.38 -5.05 105.19 104.79 1ti6 n GLY 242 Ca 0.16 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1ti6 n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ti6 s VAL 243 N -2.00 3.88 0.20 1.61 1.01 -0.55 -4.96 120.40 119.60 1ti6 s VAL 243 Ca 0.00 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.07 1ti6 s VAL 243 Cb 0.00 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 1ti6 s VAL 243 CO 0.00 0.11 0.87 -1.81 0.00 0.00 0.00 175.10 174.27 1ti6 s ASP 244 N 1.00 7.53 -0.24 3.32 1.01 -0.70 -4.55 116.67 124.03 1ti6 s ASP 244 Ca 0.59 1.81 -0.02 0.00 0.71 0.00 0.00 52.55 55.65 1ti6 s ASP 244 Cb -0.31 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.08 1ti6 s ASP 244 CO 0.30 0.18 -0.06 -0.36 0.21 0.00 0.00 175.17 175.43 1ti6 s PHE 245 N -1.14 3.05 -0.11 4.23 2.99 -1.26 -0.94 117.98 124.79 1ti6 s PHE 245 Ca 0.39 -1.50 -0.00 0.00 0.00 0.00 0.00 56.93 55.81 1ti6 s PHE 245 Cb -0.25 -2.06 -0.02 0.00 0.00 0.00 0.00 43.02 40.69 1ti6 s PHE 245 CO 0.29 -0.72 -0.10 0.08 -0.00 0.00 0.00 175.22 174.78 1ti6 s VAL 246 N 1.34 3.40 -0.13 -0.44 1.01 -0.55 -0.73 120.40 124.30 1ti6 s VAL 246 Ca 0.01 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1ti6 s VAL 246 Cb -0.16 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 1ti6 s VAL 246 CO -0.05 0.54 -0.19 -0.36 0.00 0.00 0.00 175.10 175.04 1ti6 s PHE 247 N -0.02 2.69 -0.32 5.22 0.40 -0.37 0.41 117.98 125.99 1ti6 s PHE 247 Ca -0.02 -1.00 0.01 0.00 -0.60 0.00 0.00 56.93 55.32 1ti6 s PHE 247 Cb -0.14 -1.80 0.08 0.00 0.51 0.00 0.00 43.02 41.67 1ti6 s PHE 247 CO 0.03 -0.42 0.02 0.42 0.70 0.00 0.00 175.22 175.98 1ti6 s ILE 248 N 0.54 2.62 -0.28 0.64 1.01 0.45 0.22 121.20 126.39 1ti6 s ILE 248 Ca -0.12 -1.84 -0.16 0.00 0.00 0.00 0.00 60.65 58.54 1ti6 s ILE 248 Cb -0.16 -2.68 0.11 0.00 0.01 0.00 0.00 42.46 39.73 1ti6 s ILE 248 CO 0.04 -0.32 0.78 -0.62 0.00 0.00 0.00 174.94 174.82 1ti6 s ASP 249 N 1.21 -0.82 0.43 3.58 -1.08 -0.19 -1.22 116.67 118.59 1ti6 s ASP 249 Ca 0.01 1.29 0.19 0.00 -0.52 0.00 0.00 52.55 53.52 1ti6 s ASP 249 Cb -0.20 1.40 1.14 0.00 -1.46 0.00 0.00 42.92 43.79 1ti6 s ASP 249 CO -0.05 -0.20 1.85 -0.65 0.52 0.00 0.00 175.17 176.64 1ti6 h PRO 250 N 6.79 0.34 -5.58 4.34 0.11 -1.77 -3.36 132.00 132.87 1ti6 h PRO 250 Ca -0.28 -0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.16 1ti6 h PRO 250 Cb 1.21 -0.08 -0.16 0.00 0.11 0.00 0.00 31.00 32.08 1ti6 h PRO 250 CO 0.17 0.23 -0.60 -1.58 -0.21 0.00 0.00 178.00 176.00 1ti6 s HIS 251 N -5.38 3.20 -1.00 0.65 5.65 -1.26 -4.10 115.29 113.05 1ti6 s HIS 251 Ca -0.08 0.08 -0.23 0.00 0.25 0.00 0.00 55.06 55.08 1ti6 s HIS 251 Cb 0.23 -1.93 -0.02 0.00 -1.18 0.00 0.00 32.58 29.68 1ti6 s HIS 251 CO 0.78 0.28 1.81 1.41 -0.65 0.00 0.00 174.74 178.38 1ti6 s MET 252 N -0.23 2.88 1.19 2.88 1.75 -0.66 -4.93 119.30 122.19 1ti6 s MET 252 Ca 0.06 -0.73 -0.14 0.00 -1.25 0.00 0.00 55.69 53.63 1ti6 s MET 252 Cb -0.12 -5.19 0.29 0.00 2.84 0.00 0.00 34.83 32.65 1ti6 s MET 252 CO 0.02 -3.12 1.02 0.54 -0.65 0.00 0.00 175.02 172.83 1ti6 s ASN 253 N 6.84 0.83 0.43 1.11 2.20 -1.26 -4.57 114.94 120.51 1ti6 s ASN 253 Ca 0.63 1.31 0.09 0.00 -0.94 0.00 0.00 52.86 53.95 1ti6 s ASN 253 Cb -0.04 -2.02 0.93 0.00 -2.00 0.00 0.00 41.25 38.12 1ti6 s ASN 253 CO -0.00 -4.26 2.07 0.45 -2.94 0.00 0.00 177.10 172.41 1ti6 h HIS 254 N -2.67 0.43 -0.18 1.54 3.86 -1.94 0.10 115.15 116.29 1ti6 h HIS 254 Ca -0.59 0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 58.44 1ti6 h HIS 254 Cb 1.34 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1ti6 h HIS 254 CO -0.28 0.27 -0.66 1.15 0.86 0.00 0.00 177.93 179.27 1ti6 h THR 255 N 0.47 1.30 -0.49 2.45 2.02 -1.91 -2.85 112.91 113.90 1ti6 h THR 255 Ca 0.13 -1.90 -0.12 0.00 0.77 0.00 0.00 66.41 65.30 1ti6 h THR 255 Cb -0.02 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1ti6 h THR 255 CO -0.03 0.60 -0.16 0.00 0.37 0.00 0.00 175.52 176.30 1ti6 h ALA 256 N 0.76 0.80 0.00 6.16 0.00 -1.64 -0.46 119.26 124.87 1ti6 h ALA 256 Ca -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1ti6 h ALA 256 Cb 1.25 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ti6 h ALA 256 CO 0.13 0.66 -0.08 0.00 0.00 0.00 0.00 179.25 179.96 1ti6 h ARG 257 N 0.83 0.00 0.04 0.00 3.08 -0.79 -1.92 114.38 115.63 1ti6 h ARG 257 Ca 0.12 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.89 1ti6 h ARG 257 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1ti6 h ARG 257 CO 0.05 0.08 -1.53 -0.11 -1.07 0.00 0.00 179.97 177.39 1ti6 n LEU 258 N -4.02 2.12 -0.03 3.04 7.94 -0.93 -4.79 117.00 120.33 1ti6 n LEU 258 Ca -0.03 0.35 0.01 0.00 -1.11 0.00 0.00 56.01 55.23 1ti6 n LEU 258 Cb 0.16 -1.02 0.01 0.00 0.53 0.00 0.00 43.42 43.10 1ti6 n LEU 258 CO 0.31 0.47 0.38 1.33 -1.11 0.00 0.00 177.39 178.77 1ti6 n VAL 259 N -4.11 0.54 -2.06 1.96 0.24 -0.23 -5.09 118.33 109.58 1ti6 n VAL 259 Ca -0.32 -0.57 -0.41 0.00 -2.04 0.00 0.00 64.34 61.00 1ti6 n VAL 259 Cb 0.81 0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 33.84 1ti6 n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ti6 s ALA 260 N -0.60 3.52 -0.11 2.33 0.00 -0.72 -4.69 121.76 121.49 1ti6 s ALA 260 Ca 0.02 1.32 0.20 0.00 0.00 0.00 0.00 51.96 53.50 1ti6 s ALA 260 Cb 0.02 -3.51 -0.24 0.00 0.00 0.00 0.00 23.12 19.39 1ti6 s ALA 260 CO 0.00 -0.72 0.51 -0.25 0.00 0.00 0.00 175.76 175.31 1ti6 n ASP 261 N 0.91 0.26 -3.60 0.00 10.43 0.09 -4.96 116.55 119.67 1ti6 n ASP 261 Ca 0.01 0.11 -0.13 0.00 2.57 0.00 0.00 54.79 57.34 1ti6 n ASP 261 Cb 0.41 1.24 -0.07 0.00 1.84 0.00 0.00 41.12 44.55 1ti6 n ASP 261 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1ti6 s LYS 262 N -3.15 0.78 -0.06 -1.24 2.47 -1.19 -5.03 119.74 112.31 1ti6 s LYS 262 Ca -0.07 0.65 0.02 0.00 -1.56 0.00 0.00 55.97 55.01 1ti6 s LYS 262 Cb 0.11 0.38 0.01 0.00 -1.46 0.00 0.00 37.83 36.87 1ti6 s LYS 262 CO 0.86 -0.15 -0.11 -0.46 0.16 0.00 0.00 175.35 175.65 1ti6 s TRP 263 N -0.16 1.33 -0.12 4.03 -0.00 -1.26 -1.24 118.94 121.52 1ti6 s TRP 263 Ca -0.02 -0.48 -0.02 0.00 -0.00 0.00 0.00 56.10 55.58 1ti6 s TRP 263 Cb -0.03 -1.00 -0.03 0.00 -0.00 0.00 0.00 33.47 32.41 1ti6 s TRP 263 CO 0.01 -0.26 -0.03 -0.06 -0.00 0.00 0.00 176.95 176.61 1ti6 s PHE 264 N 0.72 3.05 -0.62 5.86 0.40 0.13 -4.98 117.98 122.54 1ti6 s PHE 264 Ca -0.14 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.15 1ti6 s PHE 264 Cb -0.16 -1.86 0.15 0.00 0.51 0.00 0.00 43.02 41.66 1ti6 s PHE 264 CO 0.03 0.18 0.39 0.45 0.70 0.00 0.00 175.22 176.97 1ti6 s SER 265 N -0.21 4.47 0.50 1.36 0.15 -1.26 -1.03 113.70 117.68 1ti6 s SER 265 Ca 0.04 -3.47 -0.20 0.00 0.70 0.00 0.00 55.95 53.02 1ti6 s SER 265 Cb -0.13 -1.57 -0.08 0.00 -1.71 0.00 0.00 66.02 62.54 1ti6 s SER 265 CO 0.02 -0.15 1.04 -2.16 1.20 0.00 0.00 173.24 173.20 1ti6 s PRO 266 N -0.90 3.75 0.68 5.44 0.04 -1.26 -4.70 135.00 138.05 1ti6 s PRO 266 Ca 0.22 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 1ti6 s PRO 266 Cb -0.13 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1ti6 s PRO 266 CO -0.10 -0.47 1.21 0.15 0.04 0.00 0.00 177.00 177.83 1ti6 s LYS 267 N -3.31 2.45 0.39 4.56 1.02 -0.47 -4.25 119.74 120.14 1ti6 s LYS 267 Ca 0.67 1.79 -0.26 0.00 0.02 0.00 0.00 55.97 58.20 1ti6 s LYS 267 Cb -0.16 -1.87 -0.11 0.00 -0.52 0.00 0.00 37.83 35.17 1ti6 s LYS 267 CO 0.22 -1.60 1.18 0.44 -0.92 0.00 0.00 175.35 174.67 1ti6 n ILE 268 N -2.30 2.34 -1.40 2.17 -5.35 -1.26 -2.37 119.36 111.19 1ti6 n ILE 268 Ca 0.14 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.99 1ti6 n ILE 268 Cb 0.50 -1.41 -0.05 0.00 -1.74 0.00 0.00 39.64 36.94 1ti6 n ILE 268 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ti6 n GLY 269 N 0.93 1.24 0.00 3.28 0.00 -1.26 -4.61 105.19 104.77 1ti6 n GLY 269 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1ti6 n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ti6 n THR 270 N -2.72 0.52 -0.34 2.61 -2.24 -1.00 -4.36 114.28 106.76 1ti6 n THR 270 Ca -0.12 -0.71 0.10 0.00 -2.27 0.00 0.00 64.05 61.04 1ti6 n THR 270 Cb 0.41 0.78 0.27 0.00 -2.10 0.00 0.00 70.33 69.69 1ti6 n THR 270 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ti6 h ASP 271 N 0.00 0.73 0.48 3.42 5.19 -1.91 -0.46 116.42 123.87 1ti6 h ASP 271 Ca 0.00 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1ti6 h ASP 271 Cb 0.33 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1ti6 h ASP 271 CO 0.00 0.30 0.00 0.00 -3.12 0.00 0.00 179.24 176.42 1ti6 n HIS 272 N -4.77 0.63 -0.06 4.55 1.44 -1.26 -1.19 115.22 114.57 1ti6 n HIS 272 Ca 0.20 0.27 -0.12 0.00 -2.01 0.00 0.00 57.72 56.07 1ti6 n HIS 272 Cb 0.48 -0.94 0.02 0.00 0.12 0.00 0.00 29.99 29.67 1ti6 n HIS 272 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ti6 h ALA 273 N 2.22 0.63 -0.23 1.59 0.00 -1.44 -1.59 119.26 120.44 1ti6 h ALA 273 Ca 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1ti6 h ALA 273 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ti6 h ALA 273 CO 0.00 0.68 -0.12 -0.07 0.00 0.00 0.00 179.25 179.74 1ti6 h LEU 274 N 0.60 0.51 -1.15 0.00 3.38 -1.21 -1.69 115.31 115.74 1ti6 h LEU 274 Ca 0.03 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1ti6 h LEU 274 Cb 1.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1ti6 h LEU 274 CO 0.10 0.81 0.25 0.77 0.09 0.00 0.00 178.44 180.46 1ti6 h SER 275 N 0.21 0.76 -0.40 -0.43 4.64 -1.40 0.23 113.55 117.15 1ti6 h SER 275 Ca 0.05 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.15 1ti6 h SER 275 Cb 0.62 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1ti6 h SER 275 CO 0.04 0.68 -0.25 -0.26 -0.87 0.00 0.00 176.83 176.16 1ti6 h PHE 276 N 0.84 1.06 -0.24 4.77 -1.00 -1.18 -1.41 116.94 119.78 1ti6 h PHE 276 Ca 0.20 -0.27 -0.11 0.00 2.81 0.00 0.00 57.97 60.61 1ti6 h PHE 276 Cb 0.14 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 1ti6 h PHE 276 CO 0.01 1.07 -0.30 0.00 -1.61 0.00 0.00 178.31 177.47 1ti6 h ALA 277 N 0.92 1.03 -0.30 2.45 0.00 -0.70 0.73 119.26 123.37 1ti6 h ALA 277 Ca 0.10 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1ti6 h ALA 277 Cb 0.82 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ti6 h ALA 277 CO 0.07 0.59 -0.05 0.82 0.00 0.00 0.00 179.25 180.67 1ti6 h ILE 278 N 0.42 1.27 -0.76 0.00 2.04 -0.82 -1.30 117.51 118.37 1ti6 h ILE 278 Ca 0.05 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.82 1ti6 h ILE 278 Cb 0.75 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1ti6 h ILE 278 CO 0.06 0.34 0.37 0.00 0.00 0.00 0.00 178.15 178.92 1ti6 h ALA 279 N 0.80 0.98 -0.49 1.87 0.00 -1.01 -1.91 119.26 119.50 1ti6 h ALA 279 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ti6 h ALA 279 Cb 0.53 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1ti6 h ALA 279 CO 0.03 0.54 0.28 -0.92 0.00 0.00 0.00 179.25 179.18 1ti6 h TYR 280 N 1.07 0.52 -0.73 0.00 3.20 -0.65 -0.42 116.97 119.96 1ti6 h TYR 280 Ca 0.26 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1ti6 h TYR 280 Cb 0.11 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 1ti6 h TYR 280 CO 0.01 0.29 0.43 1.15 -1.64 0.00 0.00 178.16 178.40 1ti6 h THR 281 N 0.55 1.21 -0.46 1.81 2.02 -0.81 -0.55 112.91 116.69 1ti6 h THR 281 Ca 0.20 -0.48 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 1ti6 h THR 281 Cb 0.05 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1ti6 h THR 281 CO -0.11 0.22 -0.03 -0.50 0.37 0.00 0.00 175.52 175.48 1ti6 h TRP 282 N 1.00 0.83 -0.27 3.16 6.55 -0.77 -0.59 115.95 125.86 1ti6 h TRP 282 Ca 0.26 -0.12 -0.17 0.00 0.95 0.00 0.00 58.89 59.81 1ti6 h TRP 282 Cb -0.02 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.06 1ti6 h TRP 282 CO -0.01 0.78 -0.51 -0.07 -1.05 0.00 0.00 178.44 177.59 1ti6 h LEU 283 N 0.72 0.91 -0.80 -4.49 3.38 -0.73 0.20 115.31 114.50 1ti6 h LEU 283 Ca 0.14 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 1ti6 h LEU 283 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ti6 h LEU 283 CO 0.02 1.27 -0.42 0.11 0.09 0.00 0.00 178.44 179.51 1ti6 h LYS 284 N 0.57 0.39 -0.42 1.13 1.79 -0.96 -3.14 116.57 115.93 1ti6 h LYS 284 Ca 0.01 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1ti6 h LYS 284 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1ti6 h LYS 284 CO 0.11 0.74 0.00 0.39 -1.08 0.00 0.00 179.45 179.62 1ti6 n GLU 285 N -4.01 2.49 -3.42 3.15 1.02 -0.24 -4.95 120.64 114.68 1ti6 n GLU 285 Ca -0.02 -2.30 -0.25 0.00 -0.02 0.00 0.00 57.16 54.58 1ti6 n GLU 285 Cb 0.51 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.43 1ti6 n GLU 285 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ti6 n ASP 286 N 1.45 -4.39 -3.43 1.62 9.92 0.46 -4.89 116.55 117.30 1ti6 n ASP 286 Ca 0.19 -0.46 -0.39 0.00 -0.53 0.00 0.00 54.79 53.61 1ti6 n ASP 286 Cb 0.59 -3.58 0.01 0.00 -0.64 0.00 0.00 41.12 37.50 1ti6 n ASP 286 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1ti6 n SER 287 N -2.44 6.93 -3.63 -2.24 3.41 0.19 -4.96 113.62 110.87 1ti6 n SER 287 Ca -0.02 -3.71 -0.12 0.00 -0.26 0.00 0.00 58.87 54.76 1ti6 n SER 287 Cb 0.55 -1.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.39 1ti6 n SER 287 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1ti6 s TYR 288 N -4.17 0.81 -1.19 7.33 1.13 -1.26 -4.75 117.35 115.24 1ti6 s TYR 288 Ca 0.42 -1.09 -0.18 0.00 -1.41 0.00 0.00 57.07 54.81 1ti6 s TYR 288 Cb 0.24 -0.03 0.10 0.00 -1.10 0.00 0.00 41.96 41.17 1ti6 s TYR 288 CO -0.17 -1.03 1.56 0.34 -2.51 0.00 0.00 175.55 173.74 1ti6 s ASP 289 N -3.15 6.82 0.25 -0.18 -1.08 0.43 -4.84 116.67 114.93 1ti6 s ASP 289 Ca 0.28 -2.37 -0.03 0.00 -0.52 0.00 0.00 52.55 49.92 1ti6 s ASP 289 Cb 0.00 -2.52 0.41 0.00 -1.46 0.00 0.00 42.92 39.35 1ti6 s ASP 289 CO 0.15 -1.12 1.84 0.11 0.52 0.00 0.00 175.17 176.67 1ti6 h LYS 290 N 7.99 0.93 -0.28 4.34 1.57 -1.94 -1.37 116.57 127.81 1ti6 h LYS 290 Ca 0.35 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1ti6 h LYS 290 Cb 0.91 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1ti6 h LYS 290 CO 1.37 0.62 0.11 0.93 -0.57 0.00 0.00 179.45 181.90 1ti6 h GLU 291 N 0.96 0.42 -0.23 3.15 3.07 -1.98 -0.25 114.58 119.71 1ti6 h GLU 291 Ca 0.42 -0.08 0.02 0.00 -0.50 0.00 0.00 59.36 59.22 1ti6 h GLU 291 Cb 0.29 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 1ti6 h GLU 291 CO -0.21 0.45 0.10 -0.92 -1.40 0.00 0.00 179.01 177.02 1ti6 h TYR 292 N 0.29 0.18 -0.75 4.33 3.20 -1.86 -2.28 116.97 120.08 1ti6 h TYR 292 Ca 0.09 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1ti6 h TYR 292 Cb 0.19 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1ti6 h TYR 292 CO -0.01 0.09 0.34 0.28 -1.64 0.00 0.00 178.16 177.23 1ti6 h VAL 293 N 0.22 1.25 -0.45 1.81 2.07 -1.10 0.30 116.25 120.35 1ti6 h VAL 293 Ca 0.10 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1ti6 h VAL 293 Cb 0.05 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1ti6 h VAL 293 CO -0.09 0.30 0.26 0.00 0.02 0.00 0.00 177.57 178.07 1ti6 h ALA 294 N 1.17 1.63 0.01 1.67 0.00 -0.74 -1.62 119.26 121.37 1ti6 h ALA 294 Ca 0.25 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 1ti6 h ALA 294 Cb 0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1ti6 h ALA 294 CO -0.03 0.33 -1.85 0.00 0.00 0.00 0.00 179.25 177.70 1ti6 n ALA 295 N -2.47 1.46 -0.02 0.00 0.00 -0.88 -4.57 120.51 114.02 1ti6 n ALA 295 Ca 0.04 -0.86 0.04 0.00 0.00 0.00 0.00 53.44 52.66 1ti6 n ALA 295 Cb 0.08 -0.72 0.10 0.00 0.00 0.00 0.00 19.45 18.92 1ti6 n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ti6 n ASN 296 N -3.02 2.50 -4.39 0.00 3.02 0.10 -5.00 115.26 108.48 1ti6 n ASN 296 Ca -0.21 -1.85 -0.26 0.00 -0.03 0.00 0.00 54.58 52.22 1ti6 n ASN 296 Cb 1.07 -0.14 -0.12 0.00 -0.61 0.00 0.00 39.78 39.98 1ti6 n ASN 296 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ti6 s ALA 297 N -0.94 2.34 -0.05 5.41 0.00 -0.62 -0.85 121.76 127.05 1ti6 s ALA 297 Ca 0.16 -1.53 0.04 0.00 0.00 0.00 0.00 51.96 50.64 1ti6 s ALA 297 Cb 0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 1ti6 s ALA 297 CO 0.12 0.43 -0.17 -1.58 0.00 0.00 0.00 175.76 174.56 1ti6 s HIS 298 N -1.48 1.78 -0.59 0.00 2.46 0.50 -4.71 115.29 113.25 1ti6 s HIS 298 Ca 0.16 -0.56 0.00 0.00 0.47 0.00 0.00 55.06 55.14 1ti6 s HIS 298 Cb -0.08 -1.21 0.00 0.00 -0.13 0.00 0.00 32.58 31.16 1ti6 s HIS 298 CO 0.08 -0.21 0.00 0.41 -2.47 0.00 0.00 174.74 172.55 1ti6 n GLY 299 N 3.27 0.77 0.26 1.59 0.00 -1.26 -1.27 105.19 108.55 1ti6 n GLY 299 Ca -0.19 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 1ti6 n GLY 299 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ti6 h PHE 300 N 0.00 0.88 -0.42 1.61 3.57 -1.92 -2.45 116.94 118.21 1ti6 h PHE 300 Ca -0.11 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.39 1ti6 h PHE 300 Cb 0.53 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1ti6 h PHE 300 CO 0.26 0.70 0.11 0.93 -2.23 0.00 0.00 178.31 178.08 1ti6 h GLU 301 N 0.80 0.25 -0.63 1.11 3.07 -1.97 0.24 114.58 117.45 1ti6 h GLU 301 Ca 0.20 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1ti6 h GLU 301 Cb 0.18 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 1ti6 h GLU 301 CO -0.02 0.16 0.23 0.93 -1.40 0.00 0.00 179.01 178.92 1ti6 h GLU 302 N 0.26 0.96 -0.66 2.33 3.07 -1.96 -2.33 114.58 116.25 1ti6 h GLU 302 Ca 0.20 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1ti6 h GLU 302 Cb 0.23 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1ti6 h GLU 302 CO -0.24 0.82 0.33 2.35 -1.40 0.00 0.00 179.01 180.87 1ti6 h TRP 303 N 0.89 0.93 -0.52 4.33 7.01 -0.83 -2.35 115.95 125.42 1ti6 h TRP 303 Ca 0.21 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 1ti6 h TRP 303 Cb 0.24 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 1ti6 h TRP 303 CO 0.02 0.69 0.25 0.00 -2.79 0.00 0.00 178.44 176.60 1ti6 h ALA 304 N 1.16 1.47 -0.23 2.65 0.00 -0.31 -0.76 119.26 123.24 1ti6 h ALA 304 Ca 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ti6 h ALA 304 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ti6 h ALA 304 CO -0.03 0.42 -0.12 -0.44 0.00 0.00 0.00 179.25 179.08 1ti6 h ASP 305 N 0.72 0.37 -0.09 0.00 3.32 -0.90 -0.63 116.42 119.21 1ti6 h ASP 305 Ca 0.18 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1ti6 h ASP 305 Cb 0.07 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1ti6 h ASP 305 CO -0.03 0.52 -0.23 0.22 -1.72 0.00 0.00 179.24 178.01 1ti6 h TYR 306 N 0.36 0.40 -0.91 4.55 3.20 -0.96 0.00 116.97 123.62 1ti6 h TYR 306 Ca 0.07 -0.15 0.03 0.00 3.14 0.00 0.00 58.73 61.81 1ti6 h TYR 306 Cb 0.43 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 1ti6 h TYR 306 CO 0.01 0.84 0.59 0.28 -1.64 0.00 0.00 178.16 178.24 1ti6 h VAL 307 N -0.15 1.18 0.00 1.81 2.07 -0.94 0.30 116.25 120.51 1ti6 h VAL 307 Ca -0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1ti6 h VAL 307 Cb 0.83 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ti6 h VAL 307 CO 0.05 0.21 0.00 0.18 0.02 0.00 0.00 177.57 178.03 1ti6 n LEU 308 N -4.49 0.00 -0.05 2.57 4.77 -0.26 -1.86 117.00 117.67 1ti6 n LEU 308 Ca 0.11 0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 1ti6 n LEU 308 Cb 0.07 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1ti6 n LEU 308 CO 0.35 -0.07 -0.01 0.61 -1.33 0.00 0.00 177.39 176.95 1ti6 n GLY 309 N 0.57 0.47 0.26 -0.72 0.00 0.09 -4.21 105.19 101.66 1ti6 n GLY 309 Ca 0.11 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1ti6 n GLY 309 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ti6 h LYS 310 N 0.68 0.90 0.01 1.61 1.57 -1.22 0.14 116.57 120.26 1ti6 h LYS 310 Ca -0.01 -0.28 -0.24 0.00 -1.87 0.00 0.00 60.65 58.24 1ti6 h LYS 310 Cb 0.16 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1ti6 h LYS 310 CO 0.02 0.92 -1.27 1.79 -0.57 0.00 0.00 179.45 180.34 1ti6 h THR 311 N 0.77 1.39 -0.00 -0.16 1.35 -1.86 -3.36 112.91 111.03 1ti6 h THR 311 Ca 0.15 -3.14 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 1ti6 h THR 311 Cb 0.50 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 1ti6 h THR 311 CO 0.02 0.80 -0.49 -0.90 -0.25 0.00 0.00 175.52 174.71 1ti6 n ASP 312 N -3.25 0.82 0.00 5.36 3.85 -1.24 -4.99 116.55 117.09 1ti6 n ASP 312 Ca -0.07 -0.91 0.00 0.00 -0.71 0.00 0.00 54.79 53.11 1ti6 n ASP 312 Cb 0.98 0.85 0.00 0.00 -1.35 0.00 0.00 41.12 41.60 1ti6 n ASP 312 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ti6 n GLY 313 N 1.21 0.75 2.89 6.12 0.00 0.49 -5.01 105.19 111.64 1ti6 n GLY 313 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1ti6 n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s THR 314 N -2.88 1.97 0.23 2.61 2.01 -1.18 -4.97 115.64 113.42 1ti6 s THR 314 Ca 0.00 -2.53 -0.32 0.00 0.31 0.00 0.00 61.69 59.15 1ti6 s THR 314 Cb 0.00 -2.42 -0.12 0.00 0.01 0.00 0.00 72.50 69.97 1ti6 s THR 314 CO 0.00 -0.73 1.61 -2.65 -0.69 0.00 0.00 174.62 172.16 1ti6 n PRO 315 N 3.86 2.54 -1.76 4.92 -0.02 -1.26 -4.13 135.00 139.14 1ti6 n PRO 315 Ca 0.04 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 62.02 1ti6 n PRO 315 Cb 0.37 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.15 1ti6 n PRO 315 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ti6 n LYS 316 N 3.01 3.53 -1.52 -0.52 4.76 -0.78 -4.85 118.16 121.79 1ti6 n LYS 316 Ca 0.13 -2.80 -0.29 0.00 -2.87 0.00 0.00 58.31 52.48 1ti6 n LYS 316 Cb 0.34 -2.97 0.12 0.00 -1.84 0.00 0.00 35.03 30.68 1ti6 n LYS 316 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ti6 s THR 317 N 1.66 2.47 0.39 -0.18 -4.23 -1.26 -3.73 115.64 110.77 1ti6 s THR 317 Ca 0.53 0.15 0.16 0.00 -1.18 0.00 0.00 61.69 61.36 1ti6 s THR 317 Cb 0.15 -2.88 0.15 0.00 1.34 0.00 0.00 72.50 71.26 1ti6 s THR 317 CO -0.06 -0.20 1.91 0.00 -0.54 0.00 0.00 174.62 175.73 1ti6 h GLU 319 N 0.00 0.79 -0.49 0.00 3.07 -1.92 0.13 114.58 116.16 1ti6 h GLU 319 Ca -0.00 -0.53 -0.02 0.00 -0.50 0.00 0.00 59.36 58.30 1ti6 h GLU 319 Cb 0.52 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 1ti6 h GLU 319 CO 0.04 1.16 0.21 2.35 -1.40 0.00 0.00 179.01 181.36 1ti6 h TRP 320 N 0.59 0.74 -0.40 4.33 7.01 -1.75 -1.83 115.95 124.63 1ti6 h TRP 320 Ca -0.00 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 60.91 1ti6 h TRP 320 Cb 1.20 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 28.01 1ti6 h TRP 320 CO 0.07 0.60 0.09 0.00 -2.79 0.00 0.00 178.44 176.41 1ti6 h ALA 321 N 1.06 1.41 -0.38 2.65 0.00 -0.76 -2.62 119.26 120.62 1ti6 h ALA 321 Ca 0.17 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ti6 h ALA 321 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ti6 h ALA 321 CO -0.02 0.43 -0.06 1.49 0.00 0.00 0.00 179.25 181.09 1ti6 h GLU 322 N 0.58 0.71 0.00 0.00 4.81 -0.30 0.06 114.58 120.44 1ti6 h GLU 322 Ca 0.13 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1ti6 h GLU 322 Cb 0.24 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ti6 h GLU 322 CO -0.00 0.84 -0.11 1.49 -0.73 0.00 0.00 179.01 180.49 1ti6 h GLU 323 N 0.51 0.00 0.08 1.92 4.81 -1.02 0.25 114.58 121.13 1ti6 h GLU 323 Ca 0.10 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.13 1ti6 h GLU 323 Cb 0.56 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1ti6 h GLU 323 CO 0.03 0.11 -1.02 0.93 -0.73 0.00 0.00 179.01 178.33 1ti6 h GLU 324 N 0.00 0.17 0.00 1.92 4.39 -1.21 -3.41 114.58 116.44 1ti6 h GLU 324 Ca -0.00 -0.29 -0.17 0.00 0.34 0.00 0.00 59.36 59.24 1ti6 h GLU 324 Cb 0.24 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1ti6 h GLU 324 CO 0.01 1.14 -1.85 -1.13 -1.16 0.00 0.00 179.01 176.02 1ti6 n SER 325 N -4.17 0.35 0.00 1.42 3.41 -0.01 -4.76 113.62 109.86 1ti6 n SER 325 Ca -0.21 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1ti6 n SER 325 Cb 0.77 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 1ti6 n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ti6 n GLY 326 N 1.45 1.16 3.70 5.00 0.00 0.86 -1.36 105.19 115.98 1ti6 n GLY 326 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1ti6 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ti6 s VAL 327 N -2.72 4.96 0.14 1.61 1.01 -1.26 -4.99 120.40 119.14 1ti6 s VAL 327 Ca 0.00 1.59 -0.35 0.00 0.00 0.00 0.00 61.98 63.22 1ti6 s VAL 327 Cb 0.00 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 1ti6 s VAL 327 CO 0.00 0.15 1.39 -2.65 0.00 0.00 0.00 175.10 173.99 1ti6 n PRO 328 N 4.37 1.53 -0.19 2.72 -0.02 -1.26 -4.09 135.00 138.06 1ti6 n PRO 328 Ca 0.02 0.55 -0.02 0.00 -2.02 0.00 0.00 63.50 62.03 1ti6 n PRO 328 Cb 0.50 -2.21 0.09 0.00 -0.02 0.00 0.00 33.50 31.86 1ti6 n PRO 328 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ti6 h ALA 329 N 4.73 0.76 -0.74 3.55 0.00 -1.94 -2.15 119.26 123.47 1ti6 h ALA 329 Ca -0.46 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1ti6 h ALA 329 Cb 1.31 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1ti6 h ALA 329 CO 0.80 -0.12 0.49 0.00 0.00 0.00 0.00 179.25 180.41 1ti6 h GLU 331 N 0.89 0.54 -0.12 0.00 5.08 -1.79 -0.21 114.58 118.97 1ti6 h GLU 331 Ca 0.30 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ti6 h GLU 331 Cb 0.07 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1ti6 h GLU 331 CO -0.09 1.04 0.06 0.82 -1.00 0.00 0.00 179.01 179.83 1ti6 h ILE 332 N 0.38 1.12 -0.70 3.13 2.04 -0.81 -0.52 117.51 122.16 1ti6 h ILE 332 Ca -0.02 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1ti6 h ILE 332 Cb 1.27 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1ti6 h ILE 332 CO 0.13 0.11 0.24 -0.09 0.00 0.00 0.00 178.15 178.54 1ti6 h ARG 333 N 0.06 1.08 -0.72 2.37 2.43 -1.08 -0.68 114.38 117.83 1ti6 h ARG 333 Ca 0.04 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1ti6 h ARG 333 Cb 0.13 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1ti6 h ARG 333 CO -0.00 0.91 0.41 0.00 -1.51 0.00 0.00 179.97 179.78 1ti6 h ALA 334 N 1.11 0.93 -0.39 2.80 0.00 -0.84 -0.68 119.26 122.19 1ti6 h ALA 334 Ca 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ti6 h ALA 334 Cb 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ti6 h ALA 334 CO -0.01 0.43 0.04 1.25 0.00 0.00 0.00 179.25 180.96 1ti6 h LEU 335 N 1.00 0.64 -0.45 0.00 5.85 -0.77 -1.50 115.31 120.08 1ti6 h LEU 335 Ca 0.26 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1ti6 h LEU 335 Cb 0.02 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1ti6 h LEU 335 CO -0.04 0.76 0.19 0.00 -0.34 0.00 0.00 178.44 179.01 1ti6 h ALA 336 N 0.91 0.55 -0.42 1.25 0.00 -0.64 0.15 119.26 121.06 1ti6 h ALA 336 Ca 0.12 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1ti6 h ALA 336 Cb 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ti6 h ALA 336 CO 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 179.25 179.10 1ti6 h ARG 337 N 0.39 0.73 -0.39 0.00 3.08 -1.04 -1.91 114.38 115.24 1ti6 h ARG 337 Ca 0.20 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1ti6 h ARG 337 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1ti6 h ARG 337 CO -0.17 0.80 0.08 0.37 -1.07 0.00 0.00 179.97 179.98 1ti6 h GLN 338 N 0.57 0.63 -0.75 0.04 5.75 -0.95 -2.22 115.11 118.19 1ti6 h GLN 338 Ca 0.12 -0.16 0.10 0.00 -0.15 0.00 0.00 58.65 58.56 1ti6 h GLN 338 Cb 0.46 -0.08 -0.08 0.00 1.07 0.00 0.00 27.48 28.86 1ti6 h GLN 338 CO 0.02 0.67 0.38 2.35 -2.65 0.00 0.00 178.83 179.60 1ti6 h TRP 339 N 0.49 0.68 -0.06 3.99 2.91 -0.61 -0.56 115.95 122.80 1ti6 h TRP 339 Ca 0.12 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 1ti6 h TRP 339 Cb 0.34 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1ti6 h TRP 339 CO 0.02 0.24 0.01 0.00 -1.03 0.00 0.00 178.44 177.67 1ti6 h ALA 340 N 1.45 0.08 0.00 2.65 0.00 -1.03 -3.30 119.26 119.11 1ti6 h ALA 340 Ca 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ti6 h ALA 340 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ti6 h ALA 340 CO -0.28 -0.27 -0.05 1.57 0.00 0.00 0.00 179.25 180.21 1ti6 h LYS 341 N -0.16 0.00 -6.17 0.00 2.10 -1.07 -3.47 116.57 107.80 1ti6 h LYS 341 Ca 0.02 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.16 1ti6 h LYS 341 Cb 0.29 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.58 1ti6 h LYS 341 CO 0.00 0.05 -0.50 0.15 -2.00 0.00 0.00 179.45 177.16 1ti6 s LYS 342 N -3.22 3.13 -0.55 0.07 -0.14 -0.25 -5.03 119.74 113.75 1ti6 s LYS 342 Ca 0.06 -0.87 -0.27 0.00 -1.36 0.00 0.00 55.97 53.52 1ti6 s LYS 342 Cb 0.06 -2.72 -0.01 0.00 -1.68 0.00 0.00 37.83 33.48 1ti6 s LYS 342 CO 0.67 0.44 1.67 -0.80 -0.76 0.00 0.00 175.35 176.57 1ti6 s ASN 343 N -3.64 5.71 -0.12 2.83 0.01 -1.26 -4.83 114.94 113.64 1ti6 s ASN 343 Ca 0.33 0.44 0.01 0.00 -0.71 0.00 0.00 52.86 52.93 1ti6 s ASN 343 Cb -0.09 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 1ti6 s ASN 343 CO 0.26 -2.01 -0.15 -0.89 -1.51 0.00 0.00 177.10 172.80 1ti6 s THR 344 N 7.52 2.92 -0.13 1.60 2.01 -0.98 -1.42 115.64 127.17 1ti6 s THR 344 Ca 0.63 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.85 1ti6 s THR 344 Cb -0.13 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1ti6 s THR 344 CO 0.24 0.54 0.09 -0.31 -0.69 0.00 0.00 174.62 174.48 1ti6 s TYR 345 N 0.21 3.39 -0.41 4.92 1.51 -0.32 -3.75 117.35 122.90 1ti6 s TYR 345 Ca -0.09 0.33 -0.17 0.00 -1.01 0.00 0.00 57.07 56.13 1ti6 s TYR 345 Cb -0.15 -1.94 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1ti6 s TYR 345 CO 0.05 0.51 0.42 -1.17 -1.11 0.00 0.00 175.55 174.26 1ti6 s LEU 346 N -0.60 4.85 -1.18 -1.29 2.96 0.30 -1.27 118.68 122.45 1ti6 s LEU 346 Ca 0.12 -0.65 -0.10 0.00 -0.22 0.00 0.00 54.13 53.27 1ti6 s LEU 346 Cb -0.12 -2.37 0.22 0.00 0.50 0.00 0.00 46.19 44.42 1ti6 s LEU 346 CO 0.02 -0.56 1.44 0.00 -1.32 0.00 0.00 176.35 175.93 1ti6 n ALA 347 N 5.56 4.45 -2.58 5.97 0.00 0.77 -0.74 120.51 133.95 1ti6 n ALA 347 Ca -0.08 -4.46 -0.43 0.00 0.00 0.00 0.00 53.44 48.47 1ti6 n ALA 347 Cb 0.47 -2.77 -0.04 0.00 0.00 0.00 0.00 19.45 17.12 1ti6 n ALA 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ti6 s ALA 348 N -0.12 3.29 0.00 0.00 0.00 -1.26 -1.35 121.76 122.32 1ti6 s ALA 348 Ca 0.37 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1ti6 s ALA 348 Cb -0.01 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1ti6 s ALA 348 CO -0.01 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 174.26 1ti6 n GLY 349 N 4.75 -1.44 0.11 0.00 0.00 -0.63 -0.58 105.19 107.39 1ti6 n GLY 349 Ca 0.06 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.64 1ti6 n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 350 N 0.00 0.00 0.01 -0.02 0.00 -1.71 -3.36 103.07 98.00 1ti6 h GLY 350 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1ti6 h GLY 350 CO 0.00 0.00 -2.33 -0.10 0.00 0.00 0.00 176.54 174.11 1ti6 n LEU 351 N -2.33 0.01 0.00 3.11 7.94 -1.26 -3.72 117.00 120.74 1ti6 n LEU 351 Ca 0.05 0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1ti6 n LEU 351 Cb 0.44 0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.82 1ti6 n LEU 351 CO 0.32 0.43 0.00 0.61 -1.11 0.00 0.00 177.39 177.64 1ti6 n GLY 352 N 1.68 0.73 0.00 -3.96 0.00 -1.25 -4.49 105.19 97.90 1ti6 n GLY 352 Ca -0.29 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1ti6 n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 353 N 0.00 1.09 7.00 -0.02 0.00 0.25 -4.11 105.19 109.40 1ti6 n GLY 353 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1ti6 n GLY 353 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ti6 n TRP 354 N -0.82 -0.01 0.00 1.61 8.01 -1.26 -3.80 117.44 121.16 1ti6 n TRP 354 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1ti6 n TRP 354 Cb 0.00 0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.33 1ti6 n TRP 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ti6 n GLY 355 N 0.00 2.49 0.28 6.99 0.00 -1.26 -4.15 105.19 109.54 1ti6 n GLY 355 Ca 0.00 -1.41 0.10 0.00 0.00 0.00 0.00 46.02 44.72 1ti6 n GLY 355 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 356 N 0.00 0.00 2.00 -0.02 0.00 -1.95 -0.62 103.07 102.49 1ti6 h GLY 356 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ti6 h GLY 356 CO 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.52 1ti6 h ALA 357 N 1.95 1.57 0.00 3.60 0.00 -1.88 -2.18 119.26 122.32 1ti6 h ALA 357 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ti6 h ALA 357 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ti6 h ALA 357 CO -0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1ti6 n ARG 359 N -2.98 2.93 -4.04 0.00 1.85 -0.82 0.24 116.66 113.84 1ti6 n ARG 359 Ca 0.02 -4.64 -0.11 0.00 -1.00 0.00 0.00 57.85 52.13 1ti6 n ARG 359 Cb 0.39 -2.32 -0.06 0.00 -1.05 0.00 0.00 32.46 29.43 1ti6 n ARG 359 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ti6 s ALA 360 N -2.49 0.15 0.03 2.89 0.00 -1.24 -1.35 121.76 119.75 1ti6 s ALA 360 Ca 0.37 -1.12 0.31 0.00 0.00 0.00 0.00 51.96 51.52 1ti6 s ALA 360 Cb 0.12 1.13 1.50 0.00 0.00 0.00 0.00 23.12 25.86 1ti6 s ALA 360 CO 0.01 -0.81 1.94 0.66 0.00 0.00 0.00 175.76 177.56 1ti6 h SER 361 N 2.28 0.00 -0.40 0.00 4.64 -1.86 -0.88 113.55 117.33 1ti6 h SER 361 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1ti6 h SER 361 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ti6 h SER 361 CO 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 1ti6 n HIS 362 N -2.69 0.67 -0.33 4.77 1.44 -1.26 -4.51 115.22 113.32 1ti6 n HIS 362 Ca -0.00 -0.56 0.13 0.00 -2.01 0.00 0.00 57.72 55.27 1ti6 n HIS 362 Cb 0.16 -0.08 0.32 0.00 0.12 0.00 0.00 29.99 30.51 1ti6 n HIS 362 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1ti6 h GLY 363 N 2.41 1.68 0.86 -1.39 0.00 -1.23 -0.77 103.07 104.63 1ti6 h GLY 363 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1ti6 h GLY 363 CO 0.05 -0.16 -0.06 -2.22 0.00 0.00 0.00 176.54 174.15 1ti6 h ILE 364 N 0.60 1.28 0.00 2.60 2.04 -1.81 -2.08 117.51 120.14 1ti6 h ILE 364 Ca 0.57 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 1ti6 h ILE 364 Cb 0.98 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1ti6 h ILE 364 CO -0.44 0.34 -0.40 -0.33 0.00 0.00 0.00 178.15 177.31 1ti6 h GLU 365 N 0.26 0.00 0.01 2.37 4.39 -1.79 -2.03 114.58 117.79 1ti6 h GLU 365 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ti6 h GLU 365 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1ti6 h GLU 365 CO 0.03 0.40 -0.01 2.35 -1.16 0.00 0.00 179.01 180.62 1ti6 h TRP 366 N 0.00 -0.02 -0.25 4.33 7.01 -1.03 0.47 115.95 126.46 1ti6 h TRP 366 Ca -0.00 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.02 1ti6 h TRP 366 Cb 0.95 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 1ti6 h TRP 366 CO 0.00 0.39 0.10 0.00 -2.79 0.00 0.00 178.44 176.14 1ti6 h ALA 367 N 0.55 0.29 0.00 2.65 0.00 -1.33 -0.24 119.26 121.19 1ti6 h ALA 367 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ti6 h ALA 367 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ti6 h ALA 367 CO 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 179.25 178.72 1ti6 h ARG 368 N 0.23 0.00 -0.34 0.00 3.08 -1.37 -1.85 114.38 114.13 1ti6 h ARG 368 Ca 0.11 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 1ti6 h ARG 368 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1ti6 h ARG 368 CO -0.09 0.23 -0.38 0.78 -1.07 0.00 0.00 179.97 179.44 1ti6 h GLY 369 N 0.71 0.89 1.07 0.04 0.00 -0.03 -0.12 103.07 105.62 1ti6 h GLY 369 Ca -0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 47.33 46.35 1ti6 h GLY 369 CO 0.03 0.80 0.06 -0.33 0.00 0.00 0.00 176.54 177.10 1ti6 h MET 370 N 0.67 1.07 -0.41 4.80 2.86 -0.44 -1.66 114.93 121.82 1ti6 h MET 370 Ca 0.06 -0.31 -0.07 0.00 -2.06 0.00 0.00 59.70 57.32 1ti6 h MET 370 Cb 0.94 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1ti6 h MET 370 CO 0.09 1.02 -0.02 0.82 1.06 0.00 0.00 176.91 179.88 1ti6 h ILE 371 N 0.98 1.26 -0.27 -1.22 2.04 -1.24 -1.75 117.51 117.32 1ti6 h ILE 371 Ca 0.19 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.03 1ti6 h ILE 371 Cb 0.49 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1ti6 h ILE 371 CO 0.02 0.35 0.08 0.00 0.00 0.00 0.00 178.15 178.61 1ti6 h ALA 372 N 0.88 0.30 -0.14 1.87 0.00 -0.75 0.28 119.26 121.70 1ti6 h ALA 372 Ca 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ti6 h ALA 372 Cb 0.50 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ti6 h ALA 372 CO 0.02 -0.33 0.05 -0.07 0.00 0.00 0.00 179.25 178.92 1ti6 h LEU 373 N 0.20 0.19 -1.24 0.00 4.07 -1.25 -0.77 115.31 116.52 1ti6 h LEU 373 Ca 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1ti6 h LEU 373 Cb 0.10 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1ti6 h LEU 373 CO -0.13 0.34 0.40 0.00 -1.08 0.00 0.00 178.44 177.96 1ti6 h ALA 374 N 0.87 1.43 -0.25 1.53 0.00 -1.15 -2.55 119.26 119.13 1ti6 h ALA 374 Ca 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ti6 h ALA 374 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ti6 h ALA 374 CO -0.00 0.49 -0.11 1.15 0.00 0.00 0.00 179.25 180.78 1ti6 h THR 375 N 0.93 1.30 0.00 0.00 2.02 -0.75 -1.34 112.91 115.07 1ti6 h THR 375 Ca 0.24 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1ti6 h THR 375 Cb -0.02 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1ti6 h THR 375 CO -0.04 0.37 -0.04 0.24 0.37 0.00 0.00 175.52 176.41 1ti6 h MET 376 N 0.25 0.00 -0.67 6.66 2.07 -0.77 -1.30 114.93 121.17 1ti6 h MET 376 Ca 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 1ti6 h MET 376 Cb 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 1ti6 h MET 376 CO 0.03 0.04 0.00 1.04 1.07 0.00 0.00 176.91 179.10 1ti6 n GLN 377 N -3.85 2.85 -2.55 1.72 1.13 -1.00 -0.43 117.38 115.26 1ti6 n GLN 377 Ca -0.03 -2.50 -0.07 0.00 -1.94 0.00 0.00 57.00 52.46 1ti6 n GLN 377 Cb 0.13 -1.62 0.04 0.00 0.11 0.00 0.00 30.24 28.90 1ti6 n GLN 377 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ti6 n GLY 378 N 1.43 0.06 3.67 1.08 0.00 -0.49 -4.81 105.19 106.13 1ti6 n GLY 378 Ca 0.23 -0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1ti6 n GLY 378 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ti6 n MET 379 N -2.37 1.95 0.00 1.61 0.00 -0.52 -2.33 117.12 115.46 1ti6 n MET 379 Ca -0.11 0.69 0.00 0.00 0.00 0.00 0.00 57.70 58.29 1ti6 n MET 379 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 33.22 31.51 1ti6 n MET 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ti6 n GLY 380 N 1.53 1.61 3.86 3.17 0.00 -0.17 -4.49 105.19 110.70 1ti6 n GLY 380 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1ti6 n GLY 380 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s LYS 381 N -0.03 3.75 -0.03 1.61 -2.85 -0.99 -3.95 119.74 117.25 1ti6 s LYS 381 Ca 0.00 0.71 -0.36 0.00 -1.00 0.00 0.00 55.97 55.32 1ti6 s LYS 381 Cb 0.00 -2.19 -0.14 0.00 -2.06 0.00 0.00 37.83 33.44 1ti6 s LYS 381 CO 0.00 -0.33 1.66 -2.30 0.10 0.00 0.00 175.35 174.49 1ti6 n PRO 382 N -2.02 1.73 -0.91 1.78 -0.02 -1.26 -1.67 135.00 132.63 1ti6 n PRO 382 Ca 0.05 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1ti6 n PRO 382 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1ti6 n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 383 N 3.72 0.60 2.83 -1.23 0.00 -1.26 -5.01 105.19 104.84 1ti6 n GLY 383 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 1ti6 n GLY 383 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ti6 s SER 384 N -2.14 0.99 0.06 1.61 0.15 -0.67 -2.32 113.70 111.38 1ti6 s SER 384 Ca 0.00 0.03 -0.26 0.00 0.70 0.00 0.00 55.95 56.42 1ti6 s SER 384 Cb 0.00 0.54 0.09 0.00 -1.71 0.00 0.00 66.02 64.94 1ti6 s SER 384 CO 0.00 -0.30 1.18 0.21 1.20 0.00 0.00 173.24 175.53 1ti6 s ASN 385 N 2.37 -0.01 -0.29 5.45 3.84 -1.25 -1.00 114.94 124.05 1ti6 s ASN 385 Ca 0.06 -0.37 -0.13 0.00 0.21 0.00 0.00 52.86 52.63 1ti6 s ASN 385 Cb -0.15 0.29 -0.04 0.00 -0.55 0.00 0.00 41.25 40.81 1ti6 s ASN 385 CO -0.12 -0.57 0.26 -0.32 -2.79 0.00 0.00 177.10 173.56 1ti6 s MET 386 N -2.19 3.86 -0.23 0.43 0.00 -1.26 -0.54 119.30 119.36 1ti6 s MET 386 Ca 0.24 -0.29 -0.12 0.00 0.00 0.00 0.00 55.69 55.52 1ti6 s MET 386 Cb -0.01 -3.70 0.08 0.00 0.00 0.00 0.00 34.83 31.21 1ti6 s MET 386 CO 0.01 -0.28 0.55 -0.46 0.00 0.00 0.00 175.02 174.85 1ti6 s TRP 387 N 1.86 -0.91 -1.85 4.11 -0.00 0.08 -4.88 118.94 117.35 1ti6 s TRP 387 Ca 0.09 1.79 0.22 0.00 -0.00 0.00 0.00 56.10 58.21 1ti6 s TRP 387 Cb -0.16 0.49 0.67 0.00 -0.00 0.00 0.00 33.47 34.47 1ti6 s TRP 387 CO 0.11 -0.48 1.57 0.43 -0.00 0.00 0.00 176.95 178.57 1ti6 n SER 388 N 4.60 4.13 0.00 5.86 7.64 -1.26 -3.07 113.62 131.52 1ti6 n SER 388 Ca -0.19 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.62 1ti6 n SER 388 Cb 0.55 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1ti6 n SER 388 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ti6 n THR 389 N 1.59 0.00 -0.06 0.44 -2.24 -1.26 -4.84 114.28 107.91 1ti6 n THR 389 Ca 0.25 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.87 1ti6 n THR 389 Cb 0.68 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 68.33 1ti6 n THR 389 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ti6 n THR 390 N -2.24 1.59 -3.27 4.28 -2.24 -1.26 -4.89 114.28 106.25 1ti6 n THR 390 Ca 0.00 -0.69 -0.07 0.00 -2.27 0.00 0.00 64.05 61.03 1ti6 n THR 390 Cb 0.15 -1.30 0.01 0.00 -2.10 0.00 0.00 70.33 67.10 1ti6 n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ti6 n GLN 391 N -3.21 1.04 -0.35 -0.78 6.02 -1.26 -4.24 117.38 114.60 1ti6 n GLN 391 Ca -0.34 -1.00 0.00 0.00 -0.01 0.00 0.00 57.00 55.65 1ti6 n GLN 391 Cb 1.05 0.01 0.00 0.00 1.02 0.00 0.00 30.24 32.32 1ti6 n GLN 391 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ti6 n GLY 392 N 2.90 0.70 3.75 1.08 0.00 -1.22 -4.38 105.19 108.03 1ti6 n GLY 392 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1ti6 n GLY 392 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ti6 s VAL 393 N -2.56 2.41 0.00 1.61 1.01 -1.17 -2.17 120.40 119.52 1ti6 s VAL 393 Ca 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1ti6 s VAL 393 Cb 0.00 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 33.05 1ti6 s VAL 393 CO 0.00 0.06 1.75 -2.65 0.00 0.00 0.00 175.10 174.26 1ti6 n PRO 394 N 2.00 0.80 -1.97 2.72 -0.02 -1.26 -4.67 135.00 132.60 1ti6 n PRO 394 Ca 0.06 -0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 60.86 1ti6 n PRO 394 Cb 0.39 -1.69 0.07 0.00 -0.02 0.00 0.00 33.50 32.25 1ti6 n PRO 394 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ti6 s LEU 395 N 0.00 2.72 -0.95 2.45 1.43 -1.26 -4.78 118.68 118.29 1ti6 s LEU 395 Ca 0.27 0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 53.98 1ti6 s LEU 395 Cb 0.13 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1ti6 s LEU 395 CO 0.00 -1.62 1.63 -0.62 0.23 0.00 0.00 176.35 175.96 1ti6 s ASP 396 N -4.48 5.96 0.58 2.29 3.68 -1.26 -4.80 116.67 118.64 1ti6 s ASP 396 Ca 0.60 -1.06 0.38 0.00 2.13 0.00 0.00 52.55 54.60 1ti6 s ASP 396 Cb -0.11 -2.56 1.93 0.00 -1.45 0.00 0.00 42.92 40.72 1ti6 s ASP 396 CO 0.49 -1.99 2.15 1.88 0.13 0.00 0.00 175.17 177.83 1ti6 h TYR 397 N 10.52 0.00 0.00 -5.34 0.99 -1.95 -2.47 116.97 118.71 1ti6 h TYR 397 Ca 0.12 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.73 1ti6 h TYR 397 Cb 1.02 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.73 1ti6 h TYR 397 CO 1.24 0.00 -0.58 0.93 -0.00 0.00 0.00 178.16 179.75 1ti6 h GLU 398 N 0.00 0.00 -6.58 4.88 5.08 -2.01 -3.44 114.58 112.51 1ti6 h GLU 398 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1ti6 h GLU 398 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ti6 h GLU 398 CO 0.00 0.58 0.59 0.12 -1.00 0.00 0.00 179.01 179.30 1ti6 s PHE 399 N -3.33 3.40 -0.23 4.33 5.36 -0.93 -5.01 117.98 121.57 1ti6 s PHE 399 Ca 0.01 1.29 -0.06 0.00 -0.96 0.00 0.00 56.93 57.20 1ti6 s PHE 399 Cb 0.11 -3.47 -0.03 0.00 -0.34 0.00 0.00 43.02 39.29 1ti6 s PHE 399 CO 0.74 -1.44 0.04 -0.47 -1.46 0.00 0.00 175.22 172.63 1ti6 s TYR 400 N 0.57 3.08 -0.10 10.12 5.04 -1.26 -5.04 117.35 129.76 1ti6 s TYR 400 Ca 0.57 -0.42 -0.04 0.00 -2.44 0.00 0.00 57.07 54.74 1ti6 s TYR 400 Cb -0.32 -2.17 0.05 0.00 0.35 0.00 0.00 41.96 39.86 1ti6 s TYR 400 CO 0.33 -0.29 0.21 0.12 -1.34 0.00 0.00 175.55 174.58 1ti6 s PHE 401 N 1.32 -0.28 0.49 4.97 5.36 -1.26 -1.64 117.98 126.95 1ti6 s PHE 401 Ca 0.05 0.71 -0.23 0.00 -0.96 0.00 0.00 56.93 56.50 1ti6 s PHE 401 Cb -0.15 -0.06 -0.06 0.00 -0.34 0.00 0.00 43.02 42.41 1ti6 s PHE 401 CO 0.02 -0.25 1.27 -2.14 -1.46 0.00 0.00 175.22 172.66 1ti6 s PRO 402 N 1.68 3.49 0.47 10.12 0.02 -1.26 -5.05 135.00 144.46 1ti6 s PRO 402 Ca -0.05 2.02 0.03 0.00 0.02 0.00 0.00 61.00 63.02 1ti6 s PRO 402 Cb -0.11 -2.37 0.01 0.00 0.02 0.00 0.00 34.50 32.05 1ti6 s PRO 402 CO -0.07 -0.84 0.67 0.20 -0.33 0.00 0.00 177.00 176.62 1ti6 s GLY 403 N -1.12 1.72 0.46 0.52 0.00 -1.26 -4.81 107.32 102.83 1ti6 s GLY 403 Ca 0.67 -1.30 0.13 0.00 0.00 0.00 0.00 44.72 44.22 1ti6 s GLY 403 CO 0.42 -1.09 2.06 0.10 0.00 0.00 0.00 173.10 174.59 1ti6 h TYR 404 N 0.37 0.30 0.00 1.90 -0.00 -1.33 -2.02 116.97 116.19 1ti6 h TYR 404 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.30 1ti6 h TYR 404 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 37.90 1ti6 h TYR 404 CO 0.41 0.17 0.00 0.00 -0.00 0.00 0.00 178.16 178.74 1ti6 n ALA 405 N -2.52 1.42 1.24 0.10 0.00 -0.44 -2.72 120.51 117.59 1ti6 n ALA 405 Ca 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.46 1ti6 n ALA 405 Cb 0.20 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.55 1ti6 n ALA 405 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ti6 n GLU 406 N -1.47 1.34 0.00 0.00 1.02 -0.76 -0.77 120.64 120.01 1ti6 n GLU 406 Ca 0.02 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1ti6 n GLU 406 Cb 0.10 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1ti6 n GLU 406 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 407 N 0.36 3.17 7.00 0.62 0.00 -1.10 -2.93 105.19 112.30 1ti6 n GLY 407 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ti6 n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 408 N -1.86 3.60 0.40 -0.02 0.00 -1.26 -1.57 105.19 104.48 1ti6 n GLY 408 Ca 0.00 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1ti6 n GLY 408 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ti6 n ILE 409 N 0.00 0.10 0.05 -0.61 -5.35 -1.26 -4.10 119.36 108.19 1ti6 n ILE 409 Ca 0.00 -0.24 -0.19 0.00 -0.27 0.00 0.00 62.75 62.05 1ti6 n ILE 409 Cb 0.00 0.23 -0.14 0.00 -1.74 0.00 0.00 39.64 37.99 1ti6 n ILE 409 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1ti6 h SER 410 N 1.72 0.45 -1.15 7.28 4.64 -1.38 -3.44 113.55 121.68 1ti6 h SER 410 Ca 0.00 -0.72 -0.32 0.00 -0.47 0.00 0.00 61.79 60.28 1ti6 h SER 410 Cb 0.37 -0.15 -0.10 0.00 -0.31 0.00 0.00 62.40 62.22 1ti6 h SER 410 CO 0.00 1.62 -0.32 0.61 -0.87 0.00 0.00 176.83 177.87 1ti6 n GLY 411 N 1.79 1.09 3.55 -0.77 0.00 -1.25 0.21 105.19 109.82 1ti6 n GLY 411 Ca -0.22 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1ti6 n GLY 411 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ti6 s ASP 412 N -2.69 5.79 0.00 1.61 -1.08 -1.26 -4.60 116.67 114.43 1ti6 s ASP 412 Ca 0.00 -0.14 0.18 0.00 -0.52 0.00 0.00 52.55 52.06 1ti6 s ASP 412 Cb 0.00 -2.55 0.75 0.00 -1.46 0.00 0.00 42.92 39.66 1ti6 s ASP 412 CO 0.00 -2.07 1.56 0.00 0.52 0.00 0.00 175.17 175.18 1ti6 n GLU 414 N -1.50 1.13 -0.27 0.00 2.13 -1.26 -4.56 120.64 116.31 1ti6 n GLU 414 Ca 0.04 -0.06 0.07 0.00 0.66 0.00 0.00 57.16 57.87 1ti6 n GLU 414 Cb 0.21 -1.40 0.19 0.00 0.27 0.00 0.00 31.44 30.70 1ti6 n GLU 414 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ti6 n ASN 415 N -2.42 3.26 -3.85 4.31 3.02 -1.22 -4.99 115.26 113.36 1ti6 n ASN 415 Ca -0.18 -2.38 -0.09 0.00 -0.03 0.00 0.00 54.58 51.90 1ti6 n ASN 415 Cb 0.83 -0.34 -0.04 0.00 -0.61 0.00 0.00 39.78 39.62 1ti6 n ASN 415 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ti6 s SER 416 N -1.35 -0.22 -0.10 6.41 1.04 -1.02 -5.00 113.70 113.47 1ti6 s SER 416 Ca 0.30 -0.64 0.06 0.00 0.48 0.00 0.00 55.95 56.14 1ti6 s SER 416 Cb 0.20 0.63 0.34 0.00 0.10 0.00 0.00 66.02 67.29 1ti6 s SER 416 CO 0.13 -1.17 1.02 0.00 0.98 0.00 0.00 173.24 174.19 1ti6 n ALA 417 N -0.39 3.08 -0.19 5.32 0.00 0.05 -4.36 120.51 124.02 1ti6 n ALA 417 Ca -0.06 -0.79 0.14 0.00 0.00 0.00 0.00 53.44 52.73 1ti6 n ALA 417 Cb 0.61 -1.05 0.46 0.00 0.00 0.00 0.00 19.45 19.47 1ti6 n ALA 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ti6 h ALA 418 N 2.84 2.02 0.00 0.00 0.00 -1.72 -2.25 119.26 120.15 1ti6 h ALA 418 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ti6 h ALA 418 Cb 1.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ti6 h ALA 418 CO 0.21 -0.23 -0.03 0.78 0.00 0.00 0.00 179.25 179.98 1ti6 h GLY 419 N 0.50 0.00 0.92 0.00 0.00 -1.80 0.24 103.07 102.93 1ti6 h GLY 419 Ca 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.69 1ti6 h GLY 419 CO -0.14 0.00 0.11 -2.75 0.00 0.00 0.00 176.54 173.76 1ti6 h PHE 420 N 0.00 0.58 0.00 5.60 3.57 -1.76 -3.46 116.94 121.46 1ti6 h PHE 420 Ca -0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ti6 h PHE 420 Cb 0.08 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1ti6 h PHE 420 CO 0.00 0.56 0.00 1.17 -2.23 0.00 0.00 178.31 177.81 1ti6 n LYS 421 N -4.64 0.00 -0.23 1.11 4.81 -1.17 -5.00 118.16 113.05 1ti6 n LYS 421 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.41 1ti6 n LYS 421 Cb 0.17 -0.01 0.09 0.00 0.02 0.00 0.00 35.03 35.30 1ti6 n LYS 421 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1ti6 h PHE 422 N 0.00 0.71 -0.81 5.64 3.57 -1.82 -2.55 116.94 121.68 1ti6 h PHE 422 Ca 0.00 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.66 1ti6 h PHE 422 Cb 0.00 -0.22 -0.09 0.00 2.79 0.00 0.00 35.95 38.43 1ti6 h PHE 422 CO 0.00 0.36 0.40 0.00 -2.23 0.00 0.00 178.31 176.84 1ti6 h ALA 423 N 1.33 1.20 0.00 2.41 0.00 -1.22 0.30 119.26 123.27 1ti6 h ALA 423 Ca 0.29 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1ti6 h ALA 423 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ti6 h ALA 423 CO -0.16 -0.10 -0.21 -1.49 0.00 0.00 0.00 179.25 177.30 1ti6 h TRP 424 N 0.60 0.00 0.13 0.00 4.06 -1.67 -1.62 115.95 117.43 1ti6 h TRP 424 Ca 0.44 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 61.05 1ti6 h TRP 424 Cb 0.60 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.75 1ti6 h TRP 424 CO -0.11 0.21 -1.77 0.00 -3.56 0.00 0.00 178.44 173.21 1ti6 h ARG 425 N 0.00 0.26 0.02 0.49 3.08 -0.80 -3.39 114.38 114.04 1ti6 h ARG 425 Ca -0.00 -0.45 -0.25 0.00 0.07 0.00 0.00 59.98 59.35 1ti6 h ARG 425 Cb 0.53 0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.76 1ti6 h ARG 425 CO 0.03 1.13 -1.02 1.98 -1.07 0.00 0.00 179.97 181.02 1ti6 h MET 426 N 0.07 0.51 -6.19 0.04 4.05 -0.38 -3.45 114.93 109.59 1ti6 h MET 426 Ca -0.34 -0.58 -0.68 0.00 -0.28 0.00 0.00 59.70 57.83 1ti6 h MET 426 Cb 2.05 0.17 -0.17 0.00 -0.80 0.00 0.00 31.60 32.84 1ti6 h MET 426 CO 0.13 1.21 -0.68 -0.06 0.23 0.00 0.00 176.91 177.73 1ti6 s PHE 427 N -3.22 2.96 -0.63 1.39 0.40 -0.62 -4.96 117.98 113.29 1ti6 s PHE 427 Ca -0.07 0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.34 1ti6 s PHE 427 Cb 0.08 -1.67 0.10 0.00 0.51 0.00 0.00 43.02 42.03 1ti6 s PHE 427 CO 0.89 0.38 0.88 -0.40 0.70 0.00 0.00 175.22 177.67 1ti6 n ASP 428 N 1.85 1.93 -1.70 1.36 5.68 -1.25 -4.73 116.55 119.69 1ti6 n ASP 428 Ca -0.17 -1.58 -0.20 0.00 -0.50 0.00 0.00 54.79 52.35 1ti6 n ASP 428 Cb 0.53 -0.05 -0.08 0.00 -1.14 0.00 0.00 41.12 40.38 1ti6 n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ti6 n GLY 429 N 0.20 1.60 1.66 6.12 0.00 -1.25 -4.73 105.19 108.79 1ti6 n GLY 429 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ti6 n GLY 429 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ti6 n LYS 430 N -2.43 0.00 0.00 1.61 5.02 -1.26 -4.98 118.16 116.12 1ti6 n LYS 430 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1ti6 n LYS 430 Cb 0.67 -0.17 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1ti6 n LYS 430 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ti6 n THR 431 N -2.75 0.00 -4.12 -0.18 -2.24 -1.26 -5.03 114.28 98.70 1ti6 n THR 431 Ca 0.00 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 1ti6 n THR 431 Cb 0.15 0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 68.84 1ti6 n THR 431 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ti6 s THR 432 N -1.71 0.38 0.09 4.28 -1.32 -1.26 -5.09 115.64 111.02 1ti6 s THR 432 Ca 0.00 -0.16 0.05 0.00 -1.21 0.00 0.00 61.69 60.37 1ti6 s THR 432 Cb 0.00 -0.35 -0.03 0.00 -1.51 0.00 0.00 72.50 70.61 1ti6 s THR 432 CO 0.00 0.13 -0.13 -0.36 -2.21 0.00 0.00 174.62 172.05 1ti6 s PHE 433 N 0.18 1.24 1.01 9.09 0.40 -1.26 -3.81 117.98 124.83 1ti6 s PHE 433 Ca -0.02 -0.52 -0.15 0.00 -0.60 0.00 0.00 56.93 55.64 1ti6 s PHE 433 Cb -0.05 -0.68 0.20 0.00 0.51 0.00 0.00 43.02 42.99 1ti6 s PHE 433 CO -0.00 0.07 1.17 -2.14 0.70 0.00 0.00 175.22 175.02 1ti6 s PRO 434 N -2.19 0.34 -0.48 0.24 0.02 -1.26 -4.98 135.00 126.69 1ti6 s PRO 434 Ca 0.02 0.05 0.03 0.00 0.02 0.00 0.00 61.00 61.12 1ti6 s PRO 434 Cb -0.07 -1.77 0.15 0.00 0.02 0.00 0.00 34.50 32.83 1ti6 s PRO 434 CO 0.02 -2.69 0.31 0.45 -0.33 0.00 0.00 177.00 174.76 1ti6 s SER 435 N -4.15 3.36 0.73 2.53 0.15 0.13 -5.00 113.70 111.45 1ti6 s SER 435 Ca 0.68 -2.94 -0.11 0.00 0.70 0.00 0.00 55.95 54.28 1ti6 s SER 435 Cb -0.11 -0.99 0.03 0.00 -1.71 0.00 0.00 66.02 63.24 1ti6 s SER 435 CO 0.54 -0.21 1.07 -2.84 1.20 0.00 0.00 173.24 173.00 1ti6 s PRO 436 N -0.03 2.67 -0.09 5.44 0.02 -1.26 -4.54 135.00 137.20 1ti6 s PRO 436 Ca 0.22 0.93 0.02 0.00 0.02 0.00 0.00 61.00 62.19 1ti6 s PRO 436 Cb -0.14 -1.96 0.01 0.00 0.02 0.00 0.00 34.50 32.43 1ti6 s PRO 436 CO -0.07 -1.28 -0.14 0.45 -0.33 0.00 0.00 177.00 175.62 1ti6 s SER 437 N -3.75 2.17 0.00 2.53 0.15 -1.26 -4.68 113.70 108.86 1ti6 s SER 437 Ca 0.59 -0.37 0.21 0.00 0.70 0.00 0.00 55.95 57.08 1ti6 s SER 437 Cb -0.15 -0.97 0.55 0.00 -1.71 0.00 0.00 66.02 63.74 1ti6 s SER 437 CO 0.55 0.02 1.47 -0.46 1.20 0.00 0.00 173.24 176.02 1ti6 n ASN 438 N 4.05 3.39 -0.05 5.45 6.94 -1.26 -4.25 115.26 129.54 1ti6 n ASN 438 Ca -0.20 -1.98 -0.07 0.00 -0.02 0.00 0.00 54.58 52.31 1ti6 n ASN 438 Cb 0.51 -0.38 -0.04 0.00 -2.36 0.00 0.00 39.78 37.51 1ti6 n ASN 438 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ti6 n LEU 439 N 1.38 2.84 -3.86 -4.53 4.77 -1.26 -4.66 117.00 111.68 1ti6 n LEU 439 Ca 0.21 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1ti6 n LEU 439 Cb 0.55 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1ti6 n LEU 439 CO 0.15 0.63 2.25 -3.20 -1.33 0.00 0.00 177.39 175.89 1ti6 n ASN 440 N -2.83 4.57 -3.83 -1.43 5.15 -1.26 -1.57 115.26 114.06 1ti6 n ASN 440 Ca -0.17 -2.98 -0.10 0.00 -0.60 0.00 0.00 54.58 50.73 1ti6 n ASN 440 Cb 0.68 -1.57 -0.05 0.00 -0.53 0.00 0.00 39.78 38.31 1ti6 n ASN 440 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1ti6 s THR 441 N 1.76 0.05 0.35 -0.44 -1.32 -1.26 -4.84 115.64 109.95 1ti6 s THR 441 Ca 0.43 -1.04 0.05 0.00 -1.21 0.00 0.00 61.69 59.92 1ti6 s THR 441 Cb 0.11 -1.66 0.29 0.00 -1.51 0.00 0.00 72.50 69.73 1ti6 s THR 441 CO -0.03 -0.23 1.96 0.28 -2.21 0.00 0.00 174.62 174.39 1ti6 h SER 442 N 2.37 0.70 -0.04 8.08 0.02 -1.98 -1.45 113.55 121.25 1ti6 h SER 442 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1ti6 h SER 442 Cb 1.24 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1ti6 h SER 442 CO 0.43 0.46 0.00 0.00 -1.14 0.00 0.00 176.83 176.58 1ti6 n ALA 443 N -2.44 2.60 -2.09 3.77 0.00 -1.26 -4.80 120.51 116.29 1ti6 n ALA 443 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1ti6 n ALA 443 Cb 0.20 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1ti6 n ALA 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 444 N 1.07 1.28 2.85 0.00 0.00 -0.55 -5.02 105.19 104.82 1ti6 n GLY 444 Ca 0.19 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1ti6 n GLY 444 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ti6 s GLN 445 N 4.40 0.08 0.17 1.61 0.74 -0.61 -4.85 119.66 121.20 1ti6 s GLN 445 Ca 0.00 0.04 -0.14 0.00 0.05 0.00 0.00 55.36 55.30 1ti6 s GLN 445 Cb 0.00 -0.18 0.02 0.00 1.10 0.00 0.00 33.01 33.95 1ti6 s GLN 445 CO 0.00 -0.05 0.41 -3.38 -0.55 0.00 0.00 175.29 171.72 1ti6 s HIS 446 N 0.40 0.04 0.08 1.67 -3.43 -1.26 -4.08 115.29 108.70 1ti6 s HIS 446 Ca -0.03 -0.39 0.03 0.00 -0.80 0.00 0.00 55.06 53.87 1ti6 s HIS 446 Cb -0.05 0.21 -0.03 0.00 -1.43 0.00 0.00 32.58 31.27 1ti6 s HIS 446 CO -0.01 -0.80 -0.09 0.96 -2.00 0.00 0.00 174.74 172.80 1ti6 s ILE 447 N -3.89 0.76 0.14 -5.38 -4.36 -0.73 -4.88 121.20 102.86 1ti6 s ILE 447 Ca 0.10 -1.51 -0.30 0.00 -0.26 0.00 0.00 60.65 58.67 1ti6 s ILE 447 Cb 0.01 -1.18 -0.07 0.00 1.25 0.00 0.00 42.46 42.47 1ti6 s ILE 447 CO -0.04 -0.56 1.21 -2.84 0.24 0.00 0.00 174.94 172.95 1ti6 s PRO 448 N -2.60 4.46 0.34 0.37 0.02 -1.26 -1.52 135.00 134.81 1ti6 s PRO 448 Ca 0.02 1.85 0.06 0.00 0.02 0.00 0.00 61.00 62.95 1ti6 s PRO 448 Cb -0.04 -3.28 0.73 0.00 0.02 0.00 0.00 34.50 31.94 1ti6 s PRO 448 CO -0.01 -0.17 1.90 -0.09 -0.33 0.00 0.00 177.00 178.31 1ti6 h ARG 449 N 5.90 0.76 0.00 5.54 2.43 -1.54 -0.55 114.38 126.92 1ti6 h ARG 449 Ca -0.43 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1ti6 h ARG 449 Cb 1.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1ti6 h ARG 449 CO 0.78 0.50 0.00 1.28 -1.51 0.00 0.00 179.97 181.02 1ti6 n LEU 450 N -4.52 0.59 -0.43 3.80 4.77 -1.26 -3.19 117.00 116.76 1ti6 n LEU 450 Ca 0.15 0.67 0.06 0.00 -0.03 0.00 0.00 56.01 56.86 1ti6 n LEU 450 Cb 0.34 -0.62 0.12 0.00 -2.33 0.00 0.00 43.42 40.92 1ti6 n LEU 450 CO 0.31 -0.62 0.40 0.29 -1.33 0.00 0.00 177.39 176.44 1ti6 n LYS 451 N -2.18 0.96 -0.22 3.23 4.76 -0.24 -4.79 118.16 119.67 1ti6 n LYS 451 Ca 0.01 -2.38 0.00 0.00 -2.87 0.00 0.00 58.31 53.08 1ti6 n LYS 451 Cb 0.18 -1.17 0.12 0.00 -1.84 0.00 0.00 35.03 32.32 1ti6 n LYS 451 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1ti6 h ILE 452 N 2.38 0.83 -0.73 -0.18 2.04 -1.45 -1.79 117.51 118.61 1ti6 h ILE 452 Ca -0.02 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1ti6 h ILE 452 Cb 1.17 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1ti6 h ILE 452 CO 0.01 0.09 0.46 -0.65 0.00 0.00 0.00 178.15 178.06 1ti6 h PRO 453 N 0.52 0.85 -0.61 2.37 0.11 -1.87 -0.39 132.00 132.99 1ti6 h PRO 453 Ca 0.32 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 1ti6 h PRO 453 Cb 0.35 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1ti6 h PRO 453 CO -0.27 0.57 0.00 0.93 -0.21 0.00 0.00 178.00 179.01 1ti6 h GLU 454 N 0.88 1.07 -0.23 1.05 3.07 -1.78 0.53 114.58 119.17 1ti6 h GLU 454 Ca 0.30 -0.34 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1ti6 h GLU 454 Cb 0.04 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1ti6 h GLU 454 CO -0.12 1.04 -0.00 0.00 -1.40 0.00 0.00 179.01 178.53 1ti6 h ILE 456 N 0.17 1.28 0.08 0.00 2.04 -1.01 0.13 117.51 120.20 1ti6 h ILE 456 Ca 0.06 -1.00 -0.29 0.00 1.00 0.00 0.00 64.86 64.64 1ti6 h ILE 456 Cb 0.41 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1ti6 h ILE 456 CO 0.01 0.30 -1.45 0.24 0.00 0.00 0.00 178.15 177.25 1ti6 h MET 457 N 0.08 0.17 0.00 2.37 2.86 -0.91 -3.36 114.93 116.14 1ti6 h MET 457 Ca 0.05 -0.29 -0.14 0.00 -2.06 0.00 0.00 59.70 57.26 1ti6 h MET 457 Cb 0.48 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1ti6 h MET 457 CO 0.02 1.01 -1.47 0.41 1.06 0.00 0.00 176.91 177.94 1ti6 n GLY 458 N 1.59 -1.21 2.40 8.32 0.00 0.26 -4.97 105.19 111.58 1ti6 n GLY 458 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1ti6 n GLY 458 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 459 N 1.38 0.49 3.52 -0.02 0.00 0.03 -4.98 105.19 105.61 1ti6 n GLY 459 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1ti6 n GLY 459 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ti6 s LYS 460 N -0.34 0.98 -0.10 1.61 2.20 -1.25 -4.39 119.74 118.45 1ti6 s LYS 460 Ca 0.00 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.42 1ti6 s LYS 460 Cb 0.00 0.46 0.12 0.00 -1.51 0.00 0.00 37.83 36.90 1ti6 s LYS 460 CO 0.00 -0.33 0.99 0.12 -0.36 0.00 0.00 175.35 175.77 1ti6 s PHE 461 N -1.59 -0.30 -0.03 4.03 5.36 -0.67 -4.54 117.98 120.24 1ti6 s PHE 461 Ca -0.07 0.32 -0.01 0.00 -0.96 0.00 0.00 56.93 56.20 1ti6 s PHE 461 Cb -0.00 0.50 0.02 0.00 -0.34 0.00 0.00 43.02 43.20 1ti6 s PHE 461 CO 0.05 -0.40 0.06 -1.14 -1.46 0.00 0.00 175.22 172.32 1ti6 s GLN 462 N -2.31 0.03 0.38 10.12 -0.44 -1.26 -0.43 119.66 125.75 1ti6 s GLN 462 Ca 0.04 0.17 -0.08 0.00 -2.50 0.00 0.00 55.36 52.99 1ti6 s GLN 462 Cb -0.01 -0.11 0.03 0.00 -1.64 0.00 0.00 33.01 31.28 1ti6 s GLN 462 CO -0.05 -0.10 0.64 -2.67 0.50 0.00 0.00 175.29 173.61 1ti6 n TRP 463 N 3.68 -1.89 -4.67 1.67 2.14 -0.55 -5.01 117.44 112.80 1ti6 n TRP 463 Ca -0.21 -2.17 -0.34 0.00 2.07 0.00 0.00 57.50 56.86 1ti6 n TRP 463 Cb 0.55 0.73 -0.12 0.00 -0.81 0.00 0.00 31.31 31.66 1ti6 n TRP 463 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1ti6 s SER 464 N -3.16 4.51 0.21 -0.67 0.01 -1.26 -0.97 113.70 112.37 1ti6 s SER 464 Ca 0.24 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1ti6 s SER 464 Cb -0.03 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 65.06 1ti6 s SER 464 CO 0.17 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1ti6 n GLY 465 N 2.34 -3.08 3.10 3.44 0.00 0.51 -4.68 105.19 106.81 1ti6 n GLY 465 Ca -0.18 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 1ti6 n GLY 465 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ti6 s LYS 466 N -4.04 2.15 4.87 1.61 2.20 -1.26 -4.90 119.74 120.37 1ti6 s LYS 466 Ca 0.00 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.15 1ti6 s LYS 466 Cb 0.00 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1ti6 s LYS 466 CO 0.00 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 1ti6 n GLY 467 N 4.48 3.20 3.56 5.54 0.00 -1.26 -3.94 105.19 116.77 1ti6 n GLY 467 Ca -0.09 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1ti6 n GLY 467 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ti6 s PHE 468 N 0.00 2.64 -1.20 1.61 0.40 -1.22 -4.42 117.98 115.78 1ti6 s PHE 468 Ca 0.00 0.25 -0.07 0.00 -0.60 0.00 0.00 56.93 56.52 1ti6 s PHE 468 Cb 0.00 -4.40 0.22 0.00 0.51 0.00 0.00 43.02 39.35 1ti6 s PHE 468 CO 0.00 -1.56 1.78 0.00 0.70 0.00 0.00 175.22 176.14 1ti6 n ALA 469 N 8.23 5.47 1.10 5.36 0.00 -1.25 -4.75 120.51 134.67 1ti6 n ALA 469 Ca 0.06 -4.49 0.12 0.00 0.00 0.00 0.00 53.44 49.13 1ti6 n ALA 469 Cb 0.49 -2.70 0.35 0.00 0.00 0.00 0.00 19.45 17.58 1ti6 n ALA 469 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 470 N 2.03 0.58 0.22 0.00 0.00 -1.26 -4.36 105.19 102.39 1ti6 n GLY 470 Ca 0.37 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1ti6 n GLY 470 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 471 N 4.85 0.78 -2.89 -0.02 0.00 -1.85 -3.05 103.07 100.88 1ti6 h GLY 471 Ca 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1ti6 h GLY 471 CO 0.00 0.48 0.07 -0.35 0.00 0.00 0.00 176.54 176.74 1ti6 s ASP 472 N -6.13 -0.36 0.25 0.19 2.15 -1.26 -4.88 116.67 106.63 1ti6 s ASP 472 Ca -0.13 -0.26 -0.02 0.00 0.43 0.00 0.00 52.55 52.57 1ti6 s ASP 472 Cb 0.11 0.56 0.51 0.00 -0.30 0.00 0.00 42.92 43.79 1ti6 s ASP 472 CO 0.79 -0.97 1.74 0.40 -0.17 0.00 0.00 175.17 176.96 1ti6 h ILE 473 N 2.18 0.66 -0.01 4.11 2.04 -1.90 -2.56 117.51 122.03 1ti6 h ILE 473 Ca -0.32 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1ti6 h ILE 473 Cb 1.28 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1ti6 h ILE 473 CO 0.40 0.09 -0.03 -1.20 0.00 0.00 0.00 178.15 177.41 1ti6 n SER 474 N -4.97 1.06 0.03 1.72 7.64 -1.26 -4.19 113.62 113.65 1ti6 n SER 474 Ca 0.16 -1.26 0.05 0.00 1.01 0.00 0.00 58.87 58.83 1ti6 n SER 474 Cb 0.44 0.01 0.46 0.00 -1.01 0.00 0.00 64.21 64.11 1ti6 n SER 474 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1ti6 h HIS 475 N 1.61 0.44 0.00 1.43 3.86 -1.74 -1.48 115.15 119.27 1ti6 h HIS 475 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1ti6 h HIS 475 Cb 0.39 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1ti6 h HIS 475 CO 0.00 0.27 0.00 0.00 0.86 0.00 0.00 177.93 179.06 1ti6 n GLN 476 N -4.48 0.17 0.00 2.45 10.64 -1.26 -2.42 117.38 122.48 1ti6 n GLN 476 Ca 0.03 0.43 0.13 0.00 -1.83 0.00 0.00 57.00 55.76 1ti6 n GLN 476 Cb 0.09 -1.85 0.40 0.00 -0.86 0.00 0.00 30.24 28.02 1ti6 n GLN 476 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1ti6 n LEU 477 N -2.18 0.57 -4.77 2.61 4.77 -0.56 -1.81 117.00 115.63 1ti6 n LEU 477 Ca 0.02 -0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 1ti6 n LEU 477 Cb 0.20 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1ti6 n LEU 477 CO 0.18 0.12 1.01 -2.28 -1.33 0.00 0.00 177.39 175.09 1ti6 s HIS 478 N -2.76 2.95 -0.11 -1.77 2.46 -1.02 -4.71 115.29 110.33 1ti6 s HIS 478 Ca 0.18 1.36 -0.15 0.00 0.47 0.00 0.00 55.06 56.92 1ti6 s HIS 478 Cb 0.19 -3.76 -0.05 0.00 -0.13 0.00 0.00 32.58 28.83 1ti6 s HIS 478 CO 0.59 -2.11 0.37 -0.65 -2.47 0.00 0.00 174.74 170.46 1ti6 s GLN 479 N -1.84 4.17 0.20 2.88 -1.52 -1.26 -0.37 119.66 121.92 1ti6 s GLN 479 Ca 0.50 0.27 0.07 0.00 -1.95 0.00 0.00 55.36 54.25 1ti6 s GLN 479 Cb -0.41 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 28.96 1ti6 s GLN 479 CO 0.55 0.34 -0.13 0.71 -0.25 0.00 0.00 175.29 176.51 1ti6 s TYR 480 N 0.09 1.66 0.06 0.91 1.51 -0.14 -4.97 117.35 116.47 1ti6 s TYR 480 Ca 0.21 -0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1ti6 s TYR 480 Cb -0.14 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 1ti6 s TYR 480 CO 0.08 0.31 0.03 -1.83 -1.11 0.00 0.00 175.55 173.03 1ti6 s GLU 481 N -3.67 0.67 -0.03 -0.62 -1.05 -1.26 -1.48 118.70 111.26 1ti6 s GLU 481 Ca 0.22 -1.14 0.01 0.00 -0.15 0.00 0.00 54.97 53.91 1ti6 s GLU 481 Cb 0.00 0.25 0.02 0.00 -0.44 0.00 0.00 34.13 33.96 1ti6 s GLU 481 CO 0.06 -0.15 -0.01 -0.47 0.95 0.00 0.00 175.26 175.64 1ti6 s TYR 482 N -3.88 0.39 0.63 4.83 5.04 0.42 -3.03 117.35 121.76 1ti6 s TYR 482 Ca 0.06 -0.04 -0.16 0.00 -2.44 0.00 0.00 57.07 54.49 1ti6 s TYR 482 Cb 0.07 -0.44 -0.01 0.00 0.35 0.00 0.00 41.96 41.92 1ti6 s TYR 482 CO -0.10 -0.13 1.12 -1.25 -1.34 0.00 0.00 175.55 173.85 1ti6 s PRO 483 N 0.93 2.92 0.55 4.97 0.04 -1.26 -1.66 135.00 141.48 1ti6 s PRO 483 Ca -0.10 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 62.23 1ti6 s PRO 483 Cb -0.13 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 1ti6 s PRO 483 CO -0.01 -1.17 1.05 0.00 0.04 0.00 0.00 177.00 176.91 1ti6 s ALA 484 N -2.17 2.80 -0.26 8.56 0.00 -1.17 -4.90 121.76 124.63 1ti6 s ALA 484 Ca 0.69 0.50 -0.41 0.00 0.00 0.00 0.00 51.96 52.74 1ti6 s ALA 484 Cb -0.22 -3.25 -0.17 0.00 0.00 0.00 0.00 23.12 19.49 1ti6 s ALA 484 CO 0.38 -0.60 1.61 -2.30 0.00 0.00 0.00 175.76 174.86 1ti6 n PRO 485 N -1.55 0.83 0.00 0.00 -0.02 -1.26 -0.62 135.00 132.38 1ti6 n PRO 485 Ca 0.09 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1ti6 n PRO 485 Cb 0.53 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1ti6 n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 486 N 3.75 2.89 3.95 -1.23 0.00 -1.26 -5.01 105.19 108.27 1ti6 n GLY 486 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 1ti6 n GLY 486 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ti6 s TYR 487 N -1.90 3.02 0.18 1.61 1.51 0.21 -5.09 117.35 116.89 1ti6 s TYR 487 Ca 0.00 0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.34 1ti6 s TYR 487 Cb 0.00 -2.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 1ti6 s TYR 487 CO 0.00 -0.88 0.33 0.45 -1.11 0.00 0.00 175.55 174.34 1ti6 s SER 488 N -4.38 6.35 0.74 2.29 0.15 -1.26 -4.64 113.70 112.94 1ti6 s SER 488 Ca 0.55 0.23 -0.11 0.00 0.70 0.00 0.00 55.95 57.32 1ti6 s SER 488 Cb -0.10 -1.93 0.04 0.00 -1.71 0.00 0.00 66.02 62.31 1ti6 s SER 488 CO 0.41 0.01 1.08 -0.54 1.20 0.00 0.00 173.24 175.40 1ti6 s LYS 489 N -3.37 2.52 0.23 5.44 1.02 -1.26 -4.47 119.74 119.85 1ti6 s LYS 489 Ca 0.36 1.14 -0.30 0.00 0.02 0.00 0.00 55.97 57.19 1ti6 s LYS 489 Cb -0.11 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 35.18 1ti6 s LYS 489 CO 0.29 -1.44 1.36 0.42 -0.92 0.00 0.00 175.35 175.06 1ti6 s ILE 490 N -2.86 2.95 0.00 2.17 -1.09 -1.26 -4.44 121.20 116.67 1ti6 s ILE 490 Ca 0.61 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1ti6 s ILE 490 Cb -0.17 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1ti6 s ILE 490 CO 0.53 0.13 0.00 0.29 -1.23 0.00 0.00 174.94 174.66 1ti6 n LYS 491 N 2.41 1.95 -4.11 2.79 4.76 0.42 -4.74 118.16 121.65 1ti6 n LYS 491 Ca 0.06 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.36 1ti6 n LYS 491 Cb 0.42 -0.97 -0.12 0.00 -1.84 0.00 0.00 35.03 32.52 1ti6 n LYS 491 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1ti6 s MET 492 N -1.90 0.56 -0.19 1.97 1.75 -0.88 -1.04 119.30 119.57 1ti6 s MET 492 Ca 0.00 -0.68 -0.00 0.00 -1.25 0.00 0.00 55.69 53.76 1ti6 s MET 492 Cb 0.00 -0.40 0.05 0.00 2.84 0.00 0.00 34.83 37.32 1ti6 s MET 492 CO 0.00 0.08 -0.04 0.12 -0.65 0.00 0.00 175.02 174.53 1ti6 s PHE 493 N -1.12 1.80 -0.51 4.11 5.99 -0.02 -0.02 117.98 128.21 1ti6 s PHE 493 Ca -0.07 -1.24 -0.13 0.00 0.00 0.00 0.00 56.93 55.49 1ti6 s PHE 493 Cb -0.08 -1.35 0.12 0.00 0.00 0.00 0.00 43.02 41.71 1ti6 s PHE 493 CO 0.01 -0.66 0.44 -0.46 -0.00 0.00 0.00 175.22 174.54 1ti6 s TRP 494 N 1.60 3.32 0.07 10.12 -0.11 0.13 -0.95 118.94 133.11 1ti6 s TRP 494 Ca -0.01 -1.51 -0.18 0.00 1.22 0.00 0.00 56.10 55.63 1ti6 s TRP 494 Cb -0.16 -3.66 -0.06 0.00 -1.50 0.00 0.00 33.47 28.08 1ti6 s TRP 494 CO -0.07 -1.00 0.53 0.15 -4.62 0.00 0.00 176.95 171.93 1ti6 s LYS 495 N 1.51 4.10 -0.36 5.86 1.02 0.17 -2.80 119.74 129.24 1ti6 s LYS 495 Ca 0.04 0.63 -0.00 0.00 0.02 0.00 0.00 55.97 56.66 1ti6 s LYS 495 Cb -0.28 -3.19 0.09 0.00 -0.52 0.00 0.00 37.83 33.93 1ti6 s LYS 495 CO 0.02 0.63 0.10 -0.47 -0.92 0.00 0.00 175.35 174.71 1ti6 s TYR 496 N -1.15 3.58 0.00 3.18 5.04 -0.92 -0.08 117.35 127.00 1ti6 s TYR 496 Ca 0.29 -2.53 0.00 0.00 -2.44 0.00 0.00 57.07 52.39 1ti6 s TYR 496 Cb -0.18 -2.88 0.00 0.00 0.35 0.00 0.00 41.96 39.25 1ti6 s TYR 496 CO 0.18 -0.93 0.00 0.41 -1.34 0.00 0.00 175.55 173.86 1ti6 n GLY 497 N 4.47 -1.23 2.69 8.97 0.00 -0.70 -4.02 105.19 115.37 1ti6 n GLY 497 Ca -0.02 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 1ti6 n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 498 N -1.29 0.77 0.05 -0.02 0.00 -1.26 -4.84 105.19 98.60 1ti6 n GLY 498 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1ti6 n GLY 498 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ti6 n PRO 499 N 0.53 0.14 -0.20 1.61 -0.04 -1.26 -0.80 135.00 134.97 1ti6 n PRO 499 Ca 0.08 -0.10 0.23 0.00 -0.04 0.00 0.00 63.50 63.67 1ti6 n PRO 499 Cb 0.69 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.26 1ti6 n PRO 499 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ti6 h HIS 500 N 0.24 0.28 0.00 0.54 3.86 -1.95 -0.70 115.15 117.41 1ti6 h HIS 500 Ca 0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1ti6 h HIS 500 Cb 0.51 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1ti6 h HIS 500 CO 0.00 0.07 -0.07 -0.07 0.86 0.00 0.00 177.93 178.72 1ti6 h LEU 501 N 0.20 0.00 0.00 2.43 3.38 -1.88 -1.65 115.31 117.80 1ti6 h LEU 501 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1ti6 h LEU 501 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1ti6 h LEU 501 CO -0.10 0.07 -0.76 0.61 0.09 0.00 0.00 178.44 178.35 1ti6 n GLY 502 N -1.07 -0.42 0.00 0.83 0.00 -0.33 -4.49 105.19 99.72 1ti6 n GLY 502 Ca -0.02 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.60 1ti6 n GLY 502 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ti6 n THR 503 N -1.39 0.00 -0.71 2.61 -2.24 -0.85 -1.99 114.28 109.71 1ti6 n THR 503 Ca 0.02 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1ti6 n THR 503 Cb 0.24 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1ti6 n THR 503 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1ti6 n MET 504 N -1.34 3.73 -4.49 -0.78 2.81 -0.66 -4.97 117.12 111.42 1ti6 n MET 504 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 1ti6 n MET 504 Cb 0.08 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.47 1ti6 n MET 504 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ti6 s THR 505 N 2.63 2.76 -0.74 2.03 -4.23 -1.26 -4.71 115.64 112.12 1ti6 s THR 505 Ca 0.00 -1.37 -0.15 0.00 -1.18 0.00 0.00 61.69 58.99 1ti6 s THR 505 Cb 0.00 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.65 1ti6 s THR 505 CO 0.00 0.22 0.28 0.00 -0.54 0.00 0.00 174.62 174.58 1ti6 n ALA 506 N 1.18 -1.82 0.09 3.99 0.00 -0.18 -4.72 120.51 119.05 1ti6 n ALA 506 Ca -0.16 -0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.02 1ti6 n ALA 506 Cb 0.52 -1.17 0.31 0.00 0.00 0.00 0.00 19.45 19.11 1ti6 n ALA 506 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ti6 n THR 507 N -3.22 1.33 0.11 0.00 -2.24 -0.90 -2.81 114.28 106.54 1ti6 n THR 507 Ca -0.10 0.64 0.17 0.00 -2.27 0.00 0.00 64.05 62.49 1ti6 n THR 507 Cb 0.34 -1.64 0.72 0.00 -2.10 0.00 0.00 70.33 67.65 1ti6 n THR 507 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1ti6 h ASN 508 N 0.00 0.00 0.23 3.42 2.35 -1.84 0.87 115.58 120.61 1ti6 h ASN 508 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1ti6 h ASN 508 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1ti6 h ASN 508 CO 0.00 0.00 -0.22 0.08 -1.65 0.00 0.00 177.43 175.64 1ti6 h ARG 509 N 0.00 0.00 0.00 0.81 0.11 -1.84 -1.55 114.38 111.91 1ti6 h ARG 509 Ca 0.16 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.14 1ti6 h ARG 509 Cb 0.68 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.74 1ti6 h ARG 509 CO -0.00 0.22 -0.46 1.88 0.10 0.00 0.00 179.97 181.72 1ti6 h TYR 510 N 0.00 0.00 -0.01 4.08 -1.99 -1.07 -2.25 116.97 115.72 1ti6 h TYR 510 Ca -0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 1ti6 h TYR 510 Cb 0.40 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.14 1ti6 h TYR 510 CO 0.00 0.46 -0.59 0.00 -0.00 0.00 0.00 178.16 178.03 1ti6 h ALA 511 N 1.54 0.09 -0.43 3.88 0.00 -1.27 -3.29 119.26 119.77 1ti6 h ALA 511 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1ti6 h ALA 511 Cb 0.88 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1ti6 h ALA 511 CO 0.06 0.35 0.23 0.87 0.00 0.00 0.00 179.25 180.76 1ti6 h LYS 512 N -0.09 0.59 0.00 0.00 1.57 -1.19 -3.02 116.57 114.45 1ti6 h LYS 512 Ca -0.07 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1ti6 h LYS 512 Cb 1.29 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1ti6 h LYS 512 CO 0.12 0.45 -0.11 0.00 -0.57 0.00 0.00 179.45 179.33 1ti6 h MET 513 N 0.60 0.00 0.00 3.15 -0.00 -1.48 -2.97 114.93 114.24 1ti6 h MET 513 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.83 1ti6 h MET 513 Cb 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.63 1ti6 h MET 513 CO -0.02 0.11 -0.10 1.88 -0.00 0.00 0.00 176.91 178.78 1ti6 h TYR 514 N 0.00 0.00 -0.16 -0.10 -1.99 -1.67 -2.46 116.97 110.58 1ti6 h TYR 514 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ti6 h TYR 514 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1ti6 h TYR 514 CO 0.00 0.10 0.00 0.25 -0.00 0.00 0.00 178.16 178.51 1ti6 n THR 515 N -3.66 0.20 -2.14 -2.88 -2.24 -1.12 -4.81 114.28 97.64 1ti6 n THR 515 Ca -0.02 -0.44 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 1ti6 n THR 515 Cb 0.22 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1ti6 n THR 515 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ti6 s HIS 516 N -1.80 3.17 -1.45 4.78 5.04 -0.93 -3.98 115.29 120.12 1ti6 s HIS 516 Ca 0.34 1.11 0.13 0.00 -1.54 0.00 0.00 55.06 55.10 1ti6 s HIS 516 Cb 0.20 -3.69 0.66 0.00 0.04 0.00 0.00 32.58 29.79 1ti6 s HIS 516 CO 0.30 -2.24 1.33 -0.40 -2.34 0.00 0.00 174.74 171.39 1ti6 n ASP 517 N 2.71 0.00 0.19 9.88 5.75 -1.26 -2.37 116.55 131.44 1ti6 n ASP 517 Ca 0.07 0.08 0.08 0.00 -0.01 0.00 0.00 54.79 55.01 1ti6 n ASP 517 Cb 0.42 -0.28 0.21 0.00 -1.03 0.00 0.00 41.12 40.44 1ti6 n ASP 517 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1ti6 h SER 518 N 0.00 0.00 -2.55 -1.12 4.64 -1.90 -3.41 113.55 109.21 1ti6 h SER 518 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1ti6 h SER 518 Cb 0.12 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.11 1ti6 h SER 518 CO 0.00 0.27 0.86 -0.76 -0.87 0.00 0.00 176.83 176.34 1ti6 s LEU 519 N -6.46 3.62 0.28 5.97 1.43 -1.00 -4.60 118.68 117.93 1ti6 s LEU 519 Ca 0.04 -0.58 0.15 0.00 -1.03 0.00 0.00 54.13 52.70 1ti6 s LEU 519 Cb 0.08 -2.57 0.21 0.00 0.03 0.00 0.00 46.19 43.94 1ti6 s LEU 519 CO 0.69 -1.66 1.51 -0.33 0.23 0.00 0.00 176.35 176.78 1ti6 h GLU 520 N 9.81 0.00 -2.48 1.70 5.08 -1.33 -3.47 114.58 123.90 1ti6 h GLU 520 Ca -0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 1ti6 h GLU 520 Cb 1.06 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.08 1ti6 h GLU 520 CO 1.23 0.54 -0.12 0.12 -1.00 0.00 0.00 179.01 179.78 1ti6 s PHE 521 N -3.11 -0.59 -0.08 4.33 5.36 -1.18 -5.04 117.98 117.66 1ti6 s PHE 521 Ca 0.02 1.41 -0.01 0.00 -0.96 0.00 0.00 56.93 57.40 1ti6 s PHE 521 Cb 0.09 0.22 0.03 0.00 -0.34 0.00 0.00 43.02 43.01 1ti6 s PHE 521 CO 0.74 -0.29 -0.04 0.08 -1.46 0.00 0.00 175.22 174.25 1ti6 s VAL 522 N 0.43 0.65 -0.02 3.12 1.01 -1.26 -0.84 120.40 123.48 1ti6 s VAL 522 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1ti6 s VAL 522 Cb -0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1ti6 s VAL 522 CO -0.01 0.30 -0.16 -0.69 0.00 0.00 0.00 175.10 174.53 1ti6 s VAL 523 N 1.71 2.89 -0.16 2.92 1.01 -0.13 -0.48 120.40 128.16 1ti6 s VAL 523 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1ti6 s VAL 523 Cb -0.13 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.14 1ti6 s VAL 523 CO -0.05 0.50 -0.10 -0.55 0.00 0.00 0.00 175.10 174.90 1ti6 s SER 524 N -0.96 2.85 -0.50 3.32 0.15 -0.06 0.42 113.70 118.91 1ti6 s SER 524 Ca 0.13 -0.62 -0.09 0.00 0.70 0.00 0.00 55.95 56.06 1ti6 s SER 524 Cb -0.11 -1.07 0.13 0.00 -1.71 0.00 0.00 66.02 63.26 1ti6 s SER 524 CO 0.02 -0.13 0.38 -1.58 1.20 0.00 0.00 173.24 173.13 1ti6 s GLN 525 N 1.53 2.55 0.30 5.44 0.74 0.89 -0.22 119.66 130.90 1ti6 s GLN 525 Ca 0.02 -1.87 0.05 0.00 0.05 0.00 0.00 55.36 53.61 1ti6 s GLN 525 Cb -0.14 -3.95 -0.03 0.00 1.10 0.00 0.00 33.01 29.99 1ti6 s GLN 525 CO -0.09 -1.20 0.22 -1.12 -0.55 0.00 0.00 175.29 172.55 1ti6 s SER 526 N 2.50 1.35 -0.28 6.67 0.01 -0.78 -1.72 113.70 121.46 1ti6 s SER 526 Ca 0.07 -1.65 -0.12 0.00 1.31 0.00 0.00 55.95 55.57 1ti6 s SER 526 Cb -0.25 0.50 -0.13 0.00 0.21 0.00 0.00 66.02 66.35 1ti6 s SER 526 CO -0.01 -0.99 -0.33 -0.38 0.41 0.00 0.00 173.24 171.94 1ti6 n ILE 527 N -0.55 1.52 -4.37 1.44 5.41 -1.26 -0.50 119.36 121.06 1ti6 n ILE 527 Ca 0.05 -0.41 -0.31 0.00 1.00 0.00 0.00 62.75 63.07 1ti6 n ILE 527 Cb 0.64 -1.81 -0.10 0.00 -0.71 0.00 0.00 39.64 37.65 1ti6 n ILE 527 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1ti6 s TRP 528 N -2.51 2.86 -0.95 1.39 0.51 -1.26 -0.77 118.94 118.20 1ti6 s TRP 528 Ca -0.38 -0.07 -0.21 0.00 -2.12 0.00 0.00 56.10 53.32 1ti6 s TRP 528 Cb 0.14 -1.56 0.09 0.00 -0.81 0.00 0.00 33.47 31.33 1ti6 s TRP 528 CO 0.51 0.39 1.27 0.12 -0.51 0.00 0.00 176.95 178.74 1ti6 s PHE 529 N -1.08 2.80 0.37 -1.98 5.36 0.95 -4.80 117.98 119.60 1ti6 s PHE 529 Ca 0.19 -1.06 -0.14 0.00 -0.96 0.00 0.00 56.93 54.96 1ti6 s PHE 529 Cb -0.11 -4.49 0.05 0.00 -0.34 0.00 0.00 43.02 38.13 1ti6 s PHE 529 CO 0.10 -1.72 0.74 -1.83 -1.46 0.00 0.00 175.22 171.05 1ti6 s GLU 530 N 3.90 2.16 3.38 10.12 -1.05 -1.26 -4.95 118.70 131.01 1ti6 s GLU 530 Ca 0.39 -1.46 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 1ti6 s GLU 530 Cb -0.03 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 1ti6 s GLU 530 CO -0.08 -1.00 0.00 0.41 0.95 0.00 0.00 175.26 175.54 1ti6 n GLY 531 N -0.53 2.81 0.01 -3.83 0.00 -1.09 -1.36 105.19 101.20 1ti6 n GLY 531 Ca -0.07 0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1ti6 n GLY 531 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ti6 n GLU 532 N 11.04 0.07 -0.33 1.61 1.02 0.02 -4.32 120.64 129.74 1ti6 n GLU 532 Ca 0.00 -0.02 0.07 0.00 -0.02 0.00 0.00 57.16 57.19 1ti6 n GLU 532 Cb 0.00 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.15 1ti6 n GLU 532 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ti6 h VAL 533 N 0.05 0.84 0.00 2.62 2.07 -1.44 -2.26 116.25 118.14 1ti6 h VAL 533 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1ti6 h VAL 533 Cb 0.48 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1ti6 h VAL 533 CO 0.00 0.15 0.00 -2.65 0.02 0.00 0.00 177.57 175.09 1ti6 n PRO 534 N -4.72 0.56 0.00 1.57 -0.02 -1.26 -2.14 135.00 128.98 1ti6 n PRO 534 Ca 0.18 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 1ti6 n PRO 534 Cb 0.39 -1.11 -0.04 0.00 -0.02 0.00 0.00 33.50 32.72 1ti6 n PRO 534 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ti6 n PHE 535 N -0.22 0.00 -1.88 6.00 3.01 -0.85 -3.34 117.46 120.19 1ti6 n PHE 535 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 1ti6 n PHE 535 Cb 0.05 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.54 1ti6 n PHE 535 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ti6 s ALA 536 N -1.88 2.95 -0.09 4.37 0.00 -0.91 -4.50 121.76 121.69 1ti6 s ALA 536 Ca 0.07 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.00 1ti6 s ALA 536 Cb 0.09 -3.13 -0.27 0.00 0.00 0.00 0.00 23.12 19.81 1ti6 s ALA 536 CO 0.41 -0.79 0.48 -0.44 0.00 0.00 0.00 175.76 175.43 1ti6 h ASP 537 N -0.19 0.45 -3.82 0.00 3.32 -1.13 -3.41 116.42 111.64 1ti6 h ASP 537 Ca -0.45 -0.88 -0.49 0.00 0.02 0.00 0.00 57.03 55.23 1ti6 h ASP 537 Cb 1.20 -0.14 -0.31 0.00 0.22 0.00 0.00 39.33 40.29 1ti6 h ASP 537 CO 0.60 1.78 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.46 1ti6 s ILE 538 N -2.57 1.08 -0.10 0.35 -1.09 -1.02 -0.80 121.20 117.04 1ti6 s ILE 538 Ca -0.19 -0.52 0.03 0.00 -2.23 0.00 0.00 60.65 57.75 1ti6 s ILE 538 Cb 0.06 -0.94 0.00 0.00 -1.58 0.00 0.00 42.46 40.00 1ti6 s ILE 538 CO 0.80 0.32 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.99 1ti6 s ILE 539 N 0.17 1.88 -0.17 2.92 1.01 -0.03 -0.88 121.20 126.10 1ti6 s ILE 539 Ca -0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 1ti6 s ILE 539 Cb -0.10 -1.64 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 1ti6 s ILE 539 CO 0.01 0.52 -0.13 -0.76 0.00 0.00 0.00 174.94 174.59 1ti6 s LEU 540 N 0.48 2.57 -0.36 2.97 1.43 0.70 -1.47 118.68 125.00 1ti6 s LEU 540 Ca -0.16 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 1ti6 s LEU 540 Cb -0.17 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1ti6 s LEU 540 CO 0.06 0.06 1.41 -2.84 0.23 0.00 0.00 176.35 175.27 1ti6 s PRO 541 N 0.99 3.70 0.28 1.29 0.02 -1.26 -1.86 135.00 138.16 1ti6 s PRO 541 Ca -0.02 1.11 0.04 0.00 0.02 0.00 0.00 61.00 62.16 1ti6 s PRO 541 Cb -0.15 -3.98 -0.03 0.00 0.02 0.00 0.00 34.50 30.36 1ti6 s PRO 541 CO -0.02 -1.41 0.42 0.00 -0.33 0.00 0.00 177.00 175.67 1ti6 s ALA 542 N 5.11 3.91 0.35 -1.55 0.00 0.35 -1.83 121.76 128.11 1ti6 s ALA 542 Ca 0.61 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1ti6 s ALA 542 Cb -0.16 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1ti6 s ALA 542 CO 0.29 0.13 0.22 0.00 0.00 0.00 0.00 175.76 176.40 1ti6 s THR 544 N -2.41 1.99 -1.10 0.00 -4.23 -1.26 -4.84 115.64 103.80 1ti6 s THR 544 Ca 0.40 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.06 1ti6 s THR 544 Cb -0.03 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 71.01 1ti6 s THR 544 CO 0.24 0.00 1.47 -0.46 -0.54 0.00 0.00 174.62 175.33 1ti6 n ASN 545 N -3.51 0.00 -0.13 3.99 6.94 -1.26 -2.05 115.26 119.25 1ti6 n ASN 545 Ca 0.09 0.40 0.14 0.00 -0.02 0.00 0.00 54.58 55.20 1ti6 n ASN 545 Cb 0.60 -0.45 0.57 0.00 -2.36 0.00 0.00 39.78 38.14 1ti6 n ASN 545 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1ti6 n PHE 546 N -1.45 0.00 -0.53 -2.53 3.01 -1.26 -3.65 117.46 111.06 1ti6 n PHE 546 Ca 0.04 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.57 1ti6 n PHE 546 Cb 0.16 -0.19 0.18 0.00 -0.01 0.00 0.00 39.48 39.63 1ti6 n PHE 546 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1ti6 n GLU 547 N -0.95 2.84 -3.90 -1.08 1.02 -0.87 -1.62 120.64 116.08 1ti6 n GLU 547 Ca 0.14 -2.35 -0.09 0.00 -0.02 0.00 0.00 57.16 54.84 1ti6 n GLU 547 Cb 0.29 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.18 1ti6 n GLU 547 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1ti6 s ARG 548 N -1.80 1.46 0.07 3.49 1.70 -1.24 -4.34 118.95 118.29 1ti6 s ARG 548 Ca 0.29 -1.10 -0.15 0.00 -0.47 0.00 0.00 55.73 54.31 1ti6 s ARG 548 Cb 0.21 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 35.01 1ti6 s ARG 548 CO 0.11 -0.61 0.48 -1.58 -1.08 0.00 0.00 175.30 172.62 1ti6 s TRP 549 N -3.96 3.69 0.32 5.89 0.52 -1.26 -3.60 118.94 120.55 1ti6 s TRP 549 Ca 0.17 1.04 -0.17 0.00 0.02 0.00 0.00 56.10 57.16 1ti6 s TRP 549 Cb -0.01 -2.33 0.07 0.00 -1.15 0.00 0.00 33.47 30.04 1ti6 s TRP 549 CO 0.04 0.56 0.87 -3.47 0.02 0.00 0.00 176.95 174.97 1ti6 n ASP 550 N 1.38 -2.12 -3.86 2.95 -0.08 -0.71 -4.74 116.55 109.37 1ti6 n ASP 550 Ca -0.10 -2.36 -0.11 0.00 -1.51 0.00 0.00 54.79 50.70 1ti6 n ASP 550 Cb 0.52 3.50 -0.11 0.00 2.34 0.00 0.00 41.12 47.37 1ti6 n ASP 550 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1ti6 s ILE 551 N -2.09 0.06 0.18 5.18 2.07 -1.26 -0.50 121.20 124.84 1ti6 s ILE 551 Ca 0.18 -0.49 -0.23 0.00 -1.41 0.00 0.00 60.65 58.70 1ti6 s ILE 551 Cb -0.04 -0.35 0.07 0.00 0.13 0.00 0.00 42.46 42.27 1ti6 s ILE 551 CO 0.10 -0.27 0.97 -0.94 -1.91 0.00 0.00 174.94 172.90 1ti6 s SER 552 N -0.92 -0.11 -0.02 4.50 1.04 -0.97 -1.35 113.70 115.88 1ti6 s SER 552 Ca -0.10 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1ti6 s SER 552 Cb -0.06 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 1ti6 s SER 552 CO 0.01 -0.98 -0.17 -0.70 0.98 0.00 0.00 173.24 172.38 1ti6 s GLU 553 N -2.87 1.47 -0.43 4.02 2.12 -1.26 -0.95 118.70 120.79 1ti6 s GLU 553 Ca 0.15 -0.60 -0.42 0.00 0.36 0.00 0.00 54.97 54.46 1ti6 s GLU 553 Cb -0.02 -1.38 -0.17 0.00 0.26 0.00 0.00 34.13 32.82 1ti6 s GLU 553 CO 0.04 0.33 2.00 0.34 -0.54 0.00 0.00 175.26 177.43 1ti6 n PHE 554 N 2.79 1.50 -1.04 5.30 -0.00 0.01 -1.41 117.46 124.60 1ti6 n PHE 554 Ca -0.16 0.69 -0.03 0.00 -0.00 0.00 0.00 57.45 57.95 1ti6 n PHE 554 Cb 0.54 -2.36 -0.01 0.00 -0.00 0.00 0.00 39.48 37.65 1ti6 n PHE 554 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ti6 n ALA 555 N 7.09 -0.05 -2.55 3.13 0.00 -1.26 -4.74 120.51 122.13 1ti6 n ALA 555 Ca 0.44 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 1ti6 n ALA 555 Cb 0.04 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1ti6 n ALA 555 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ti6 s ASN 556 N -1.99 6.31 -0.27 0.00 3.84 -0.50 -4.44 114.94 117.90 1ti6 s ASN 556 Ca 0.00 -0.07 -0.13 0.00 0.21 0.00 0.00 52.86 52.87 1ti6 s ASN 556 Cb 0.00 -2.56 -0.14 0.00 -0.55 0.00 0.00 41.25 38.01 1ti6 s ASN 556 CO 0.00 -1.63 -0.26 0.00 -2.79 0.00 0.00 177.10 172.41 1ti6 n SER 558 N -4.16 -1.35 0.00 0.00 2.88 -1.20 -1.32 113.62 108.47 1ti6 n SER 558 Ca -0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 1ti6 n SER 558 Cb 0.88 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 1ti6 n SER 558 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ti6 n GLY 559 N 0.00 2.16 0.00 0.46 0.00 -1.26 -1.74 105.19 104.81 1ti6 n GLY 559 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.37 1ti6 n GLY 559 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ti6 n TYR 560 N 3.97 0.00 -3.19 1.61 0.18 -1.26 -3.13 117.16 115.34 1ti6 n TYR 560 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1ti6 n TYR 560 Cb 0.00 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 1ti6 n TYR 560 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 1ti6 n ILE 561 N -0.86 -0.60 -1.58 -3.48 5.41 -0.71 -4.26 119.36 113.27 1ti6 n ILE 561 Ca 0.13 -4.11 -0.47 0.00 1.00 0.00 0.00 62.75 59.30 1ti6 n ILE 561 Cb 0.06 -1.64 -0.03 0.00 -0.71 0.00 0.00 39.64 37.32 1ti6 n ILE 561 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1ti6 n PRO 562 N 1.21 1.27 -4.17 0.38 -0.02 -1.18 -2.48 135.00 130.01 1ti6 n PRO 562 Ca 0.22 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 1ti6 n PRO 562 Cb 0.55 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 1ti6 n PRO 562 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ti6 n ASP 563 N 1.66 -3.30 0.00 2.55 8.00 -1.26 -4.83 116.55 119.37 1ti6 n ASP 563 Ca 0.12 -0.98 0.07 0.00 0.71 0.00 0.00 54.79 54.72 1ti6 n ASP 563 Cb 0.28 -2.92 0.44 0.00 -0.02 0.00 0.00 41.12 38.90 1ti6 n ASP 563 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ti6 n ASN 564 N -2.70 0.00 0.04 -2.24 2.04 -1.03 -2.72 115.26 108.64 1ti6 n ASN 564 Ca 0.04 -1.34 0.08 0.00 -0.44 0.00 0.00 54.58 52.92 1ti6 n ASN 564 Cb 0.51 0.00 0.33 0.00 -2.53 0.00 0.00 39.78 38.09 1ti6 n ASN 564 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ti6 n TYR 565 N -0.76 0.22 1.03 -2.53 4.11 -1.26 -1.99 117.16 115.98 1ti6 n TYR 565 Ca 0.11 0.09 0.03 0.00 -0.00 0.00 0.00 57.90 58.13 1ti6 n TYR 565 Cb 0.05 -0.65 0.15 0.00 -0.00 0.00 0.00 39.34 38.90 1ti6 n TYR 565 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ti6 n GLN 566 N -1.70 0.51 0.17 -3.48 10.64 -1.10 -1.46 117.38 120.96 1ti6 n GLN 566 Ca 0.03 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.28 1ti6 n GLN 566 Cb 0.16 -1.15 0.09 0.00 -0.86 0.00 0.00 30.24 28.48 1ti6 n GLN 566 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1ti6 h LEU 567 N 0.00 0.00-10.25 2.61 3.38 -1.58 -3.10 115.31 106.37 1ti6 h LEU 567 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1ti6 h LEU 567 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ti6 h LEU 567 CO 0.00 0.17 -0.30 0.00 0.09 0.00 0.00 178.44 178.39 1ti6 h ASN 569 N 0.90 0.00 -5.06 0.00 2.35 -1.86 -3.46 115.58 108.45 1ti6 h ASN 569 Ca -0.49 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.16 1ti6 h ASN 569 Cb 1.24 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.44 1ti6 h ASN 569 CO 0.59 0.00 -0.29 -1.00 -1.65 0.00 0.00 177.43 175.08 1ti6 s HIS 570 N -3.30 -0.06 -0.31 1.19 3.76 -1.26 -4.84 115.29 110.47 1ti6 s HIS 570 Ca 0.06 -0.09 -0.20 0.00 -0.15 0.00 0.00 55.06 54.67 1ti6 s HIS 570 Cb 0.07 0.06 -0.01 0.00 1.11 0.00 0.00 32.58 33.81 1ti6 s HIS 570 CO 0.62 -0.48 0.64 1.03 -0.85 0.00 0.00 174.74 175.71 1ti6 s ARG 571 N -2.51 3.88 -0.22 1.40 0.52 -1.26 -4.97 118.95 115.80 1ti6 s ARG 571 Ca -0.05 0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.47 1ti6 s ARG 571 Cb -0.01 -3.74 0.04 0.00 0.52 0.00 0.00 34.95 31.76 1ti6 s ARG 571 CO -0.03 -0.59 -0.15 0.08 0.02 0.00 0.00 175.30 174.62 1ti6 s VAL 572 N 2.64 2.17 -0.22 3.52 1.01 -1.26 -1.23 120.40 127.03 1ti6 s VAL 572 Ca 0.26 -1.20 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 1ti6 s VAL 572 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1ti6 s VAL 572 CO 0.12 0.30 0.10 -0.63 0.00 0.00 0.00 175.10 174.99 1ti6 s ILE 573 N 1.22 4.88 0.05 2.22 1.01 -0.24 -0.81 121.20 129.53 1ti6 s ILE 573 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.68 1ti6 s ILE 573 Cb -0.16 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1ti6 s ILE 573 CO -0.09 0.39 -0.08 -0.94 0.00 0.00 0.00 174.94 174.22 1ti6 s SER 574 N 0.91 0.92 -0.09 3.58 1.04 -0.12 0.44 113.70 120.38 1ti6 s SER 574 Ca 0.05 -0.61 -0.26 0.00 0.48 0.00 0.00 55.95 55.61 1ti6 s SER 574 Cb -0.14 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 1ti6 s SER 574 CO 0.03 -0.23 0.84 -0.22 0.98 0.00 0.00 173.24 174.63 1ti6 s LEU 575 N -1.78 4.27 -0.69 2.42 2.96 0.11 -2.28 118.68 123.69 1ti6 s LEU 575 Ca -0.07 1.32 -0.20 0.00 -0.22 0.00 0.00 54.13 54.96 1ti6 s LEU 575 Cb -0.08 -3.29 0.10 0.00 0.50 0.00 0.00 46.19 43.42 1ti6 s LEU 575 CO -0.00 -0.28 0.87 -1.10 -1.32 0.00 0.00 176.35 174.52 1ti6 s GLN 576 N 1.46 3.20 0.36 1.98 -0.21 0.34 -3.91 119.66 122.89 1ti6 s GLN 576 Ca 0.42 -1.32 -0.26 0.00 0.02 0.00 0.00 55.36 54.22 1ti6 s GLN 576 Cb -0.18 -4.39 -0.09 0.00 1.00 0.00 0.00 33.01 29.35 1ti6 s GLN 576 CO 0.18 -1.66 1.06 0.00 -2.12 0.00 0.00 175.29 172.74 1ti6 s ALA 577 N 2.98 3.19 -0.68 6.09 0.00 -0.18 -1.74 121.76 131.41 1ti6 s ALA 577 Ca 0.19 0.75 -0.26 0.00 0.00 0.00 0.00 51.96 52.64 1ti6 s ALA 577 Cb -0.17 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1ti6 s ALA 577 CO 0.04 -0.17 1.70 0.21 0.00 0.00 0.00 175.76 177.54 1ti6 s LYS 578 N -2.14 2.80 0.17 0.00 2.20 -1.24 -4.74 119.74 116.79 1ti6 s LYS 578 Ca 0.53 0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 56.38 1ti6 s LYS 578 Cb -0.25 -4.42 0.05 0.00 -1.51 0.00 0.00 37.83 31.71 1ti6 s LYS 578 CO 0.31 -2.62 1.44 0.00 -0.36 0.00 0.00 175.35 174.12 1ti6 s ILE 580 N -3.71 0.07 0.50 0.00 -4.36 -1.13 -4.81 121.20 107.78 1ti6 s ILE 580 Ca -0.06 -1.64 -0.20 0.00 -0.26 0.00 0.00 60.65 58.48 1ti6 s ILE 580 Cb 0.10 -1.99 -0.07 0.00 1.25 0.00 0.00 42.46 41.75 1ti6 s ILE 580 CO 0.85 -0.33 1.09 -1.61 0.24 0.00 0.00 174.94 175.18 1ti6 s GLU 581 N -4.02 3.62 0.16 0.37 0.41 -1.26 -4.36 118.70 113.62 1ti6 s GLU 581 Ca 0.22 1.52 -0.34 0.00 -0.41 0.00 0.00 54.97 55.96 1ti6 s GLU 581 Cb 0.05 -2.11 -0.15 0.00 -1.78 0.00 0.00 34.13 30.15 1ti6 s GLU 581 CO 0.02 -0.61 1.41 -2.30 -0.49 0.00 0.00 175.26 173.29 1ti6 n PRO 582 N -1.02 1.70 -2.13 0.39 -0.02 -1.26 -4.89 135.00 127.76 1ti6 n PRO 582 Ca 0.10 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 1ti6 n PRO 582 Cb 0.51 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1ti6 n PRO 582 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ti6 s VAL 583 N 0.40 2.92 0.00 -1.45 1.01 -1.26 -4.70 120.40 117.31 1ti6 s VAL 583 Ca 0.77 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1ti6 s VAL 583 Cb -0.77 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1ti6 s VAL 583 CO 0.45 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1ti6 n GLY 584 N 1.95 2.68 1.75 4.51 0.00 -1.26 -2.50 105.19 112.31 1ti6 n GLY 584 Ca 0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ti6 n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ti6 n GLU 585 N 13.72 3.79 -1.64 1.61 1.02 -0.30 -5.00 120.64 133.85 1ti6 n GLU 585 Ca 0.00 -3.08 -0.30 0.00 -0.02 0.00 0.00 57.16 53.76 1ti6 n GLU 585 Cb 0.00 -2.15 0.08 0.00 -0.02 0.00 0.00 31.44 29.35 1ti6 n GLU 585 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ti6 s SER 586 N -1.22 4.78 0.15 1.62 1.04 -1.04 -4.81 113.70 114.22 1ti6 s SER 586 Ca 0.52 1.28 -0.14 0.00 0.48 0.00 0.00 55.95 58.09 1ti6 s SER 586 Cb 0.42 -2.04 0.02 0.00 0.10 0.00 0.00 66.02 64.52 1ti6 s SER 586 CO 0.13 -1.78 0.40 0.00 0.98 0.00 0.00 173.24 172.96 1ti6 s MET 587 N -5.20 1.16 0.59 4.02 0.23 -0.76 -4.75 119.30 114.59 1ti6 s MET 587 Ca 0.60 -0.87 -0.19 0.00 -1.03 0.00 0.00 55.69 54.20 1ti6 s MET 587 Cb -0.14 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 1ti6 s MET 587 CO 0.54 -0.46 1.27 -1.54 -2.03 0.00 0.00 175.02 172.80 1ti6 s SER 588 N -2.86 5.08 0.35 -1.18 1.04 -1.26 -2.01 113.70 112.86 1ti6 s SER 588 Ca 0.08 2.55 0.06 0.00 0.48 0.00 0.00 55.95 59.11 1ti6 s SER 588 Cb 0.02 -2.61 0.72 0.00 0.10 0.00 0.00 66.02 64.24 1ti6 s SER 588 CO -0.07 -1.68 1.93 0.44 0.98 0.00 0.00 173.24 174.84 1ti6 h ASP 589 N 0.98 0.70 -0.76 7.02 3.32 -1.94 -0.59 116.42 125.15 1ti6 h ASP 589 Ca -0.51 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 1ti6 h ASP 589 Cb 1.31 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1ti6 h ASP 589 CO 0.55 0.44 0.26 0.22 -1.72 0.00 0.00 179.24 178.99 1ti6 h TYR 590 N 0.79 1.19 0.00 4.55 5.03 -1.93 -0.04 116.97 126.56 1ti6 h TYR 590 Ca 0.35 -0.11 -0.13 0.00 2.58 0.00 0.00 58.73 61.42 1ti6 h TYR 590 Cb 0.34 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 1ti6 h TYR 590 CO -0.00 0.93 -0.62 0.93 -1.32 0.00 0.00 178.16 178.07 1ti6 h GLU 591 N 1.11 0.00 -0.05 1.82 4.39 -1.61 0.60 114.58 120.84 1ti6 h GLU 591 Ca 0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1ti6 h GLU 591 Cb 0.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1ti6 h GLU 591 CO -0.01 0.62 -0.01 0.82 -1.16 0.00 0.00 179.01 179.27 1ti6 h ILE 592 N 0.00 1.28 -0.10 3.13 2.04 -0.72 -1.11 117.51 122.02 1ti6 h ILE 592 Ca -0.01 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 1ti6 h ILE 592 Cb 1.15 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1ti6 h ILE 592 CO 0.08 0.23 -0.18 1.88 0.00 0.00 0.00 178.15 180.17 1ti6 h TYR 593 N -0.23 0.18 -0.35 1.37 0.99 -0.89 -1.02 116.97 117.03 1ti6 h TYR 593 Ca 0.01 -0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.60 1ti6 h TYR 593 Cb 0.38 -0.05 -0.01 0.00 1.00 0.00 0.00 36.73 38.05 1ti6 h TYR 593 CO 0.05 0.34 -0.28 -0.09 -0.00 0.00 0.00 178.16 178.18 1ti6 h ARG 594 N 0.16 0.72 -0.23 4.88 2.43 -0.69 0.17 114.38 121.82 1ti6 h ARG 594 Ca 0.03 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 58.85 1ti6 h ARG 594 Cb 0.41 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1ti6 h ARG 594 CO 0.03 0.92 -0.02 1.25 -1.51 0.00 0.00 179.97 180.63 1ti6 h LEU 595 N 0.62 0.41 -0.68 3.80 5.85 -0.45 -2.27 115.31 122.59 1ti6 h LEU 595 Ca 0.08 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1ti6 h LEU 595 Cb 0.79 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1ti6 h LEU 595 CO 0.06 0.64 0.32 -0.26 -0.34 0.00 0.00 178.44 178.87 1ti6 h PHE 596 N 0.17 0.99 -1.00 1.25 -1.00 -0.99 -2.47 116.94 113.88 1ti6 h PHE 596 Ca 0.06 -0.05 0.06 0.00 2.81 0.00 0.00 57.97 60.85 1ti6 h PHE 596 Cb 0.45 -0.30 -0.06 0.00 3.61 0.00 0.00 35.95 39.64 1ti6 h PHE 596 CO 0.04 0.74 0.65 0.00 -1.61 0.00 0.00 178.31 178.13 1ti6 h ALA 597 N 1.15 1.39 -0.20 2.45 0.00 -0.55 0.12 119.26 123.62 1ti6 h ALA 597 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1ti6 h ALA 597 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ti6 h ALA 597 CO -0.03 0.48 0.10 -0.22 0.00 0.00 0.00 179.25 179.58 1ti6 h LYS 598 N 1.21 0.28 0.00 0.00 3.64 -1.02 0.25 116.57 120.93 1ti6 h LYS 598 Ca 0.42 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1ti6 h LYS 598 Cb 0.11 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ti6 h LYS 598 CO -0.16 0.28 0.00 1.63 -2.27 0.00 0.00 179.45 178.94 1ti6 n LYS 599 N -4.88 0.17 -0.12 1.90 5.02 -0.76 -2.08 118.16 117.41 1ti6 n LYS 599 Ca -0.04 0.34 0.11 0.00 -2.02 0.00 0.00 58.31 56.70 1ti6 n LYS 599 Cb 0.08 -1.78 0.16 0.00 -0.02 0.00 0.00 35.03 33.47 1ti6 n LYS 599 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ti6 n LEU 600 N -2.09 3.13 -1.90 -0.35 4.77 0.34 -4.97 117.00 115.93 1ti6 n LEU 600 Ca 0.03 -1.35 -0.15 0.00 -0.03 0.00 0.00 56.01 54.52 1ti6 n LEU 600 Cb 0.26 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1ti6 n LEU 600 CO 0.21 0.64 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.62 1ti6 n ASN 601 N 1.29 -4.54 -0.59 -1.43 5.15 -0.39 -4.91 115.26 109.84 1ti6 n ASN 601 Ca 0.16 -0.11 0.03 0.00 -0.60 0.00 0.00 54.58 54.06 1ti6 n ASN 601 Cb 0.55 -3.55 0.04 0.00 -0.53 0.00 0.00 39.78 36.30 1ti6 n ASN 601 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1ti6 n ILE 602 N -4.07 0.47 -0.20 -1.44 -5.35 0.76 -4.88 119.36 104.64 1ti6 n ILE 602 Ca -0.12 -0.76 -0.03 0.00 -0.27 0.00 0.00 62.75 61.57 1ti6 n ILE 602 Cb 0.61 0.41 0.08 0.00 -1.74 0.00 0.00 39.64 38.99 1ti6 n ILE 602 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1ti6 h GLU 603 N 0.22 0.56 -0.31 6.28 4.81 -1.74 -1.68 114.58 122.73 1ti6 h GLU 603 Ca -0.04 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1ti6 h GLU 603 Cb 1.39 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1ti6 h GLU 603 CO 0.02 0.37 0.04 1.49 -0.73 0.00 0.00 179.01 180.20 1ti6 h GLU 604 N 0.57 0.14 -0.34 1.92 4.57 -1.90 0.04 114.58 119.59 1ti6 h GLU 604 Ca 0.27 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.30 1ti6 h GLU 604 Cb 0.19 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1ti6 h GLU 604 CO -0.19 0.09 -0.34 0.52 -1.18 0.00 0.00 179.01 177.91 1ti6 h MET 605 N 0.14 0.76 0.11 1.92 0.00 -1.87 -0.45 114.93 115.53 1ti6 h MET 605 Ca 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 59.70 59.47 1ti6 h MET 605 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.77 1ti6 h MET 605 CO -0.21 0.99 -0.05 0.35 0.00 0.00 0.00 176.91 177.99 1ti6 h PHE 606 N 0.63 -0.13 0.00 -0.22 3.57 -1.07 -3.38 116.94 116.34 1ti6 h PHE 606 Ca 0.06 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.39 1ti6 h PHE 606 Cb 0.88 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1ti6 h PHE 606 CO 0.05 0.35 -1.29 0.66 -2.23 0.00 0.00 178.31 175.84 1ti6 h SER 607 N -0.72 0.00 -3.22 0.41 4.64 -1.08 -3.48 113.55 110.10 1ti6 h SER 607 Ca -0.01 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.98 1ti6 h SER 607 Cb 0.54 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1ti6 h SER 607 CO 0.02 0.63 -0.41 -0.62 -0.87 0.00 0.00 176.83 175.58 1ti6 n GLU 608 N -2.97 -1.91 -1.15 4.77 1.02 -0.18 -1.10 120.64 119.11 1ti6 n GLU 608 Ca -0.08 0.81 -0.05 0.00 -0.02 0.00 0.00 57.16 57.82 1ti6 n GLU 608 Cb 0.85 -5.41 -0.02 0.00 -0.02 0.00 0.00 31.44 26.84 1ti6 n GLU 608 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 609 N -0.85 0.74 3.58 0.62 0.00 -1.26 -5.02 105.19 103.00 1ti6 n GLY 609 Ca -0.19 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1ti6 n GLY 609 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 610 N -1.97 2.55 0.72 1.61 1.02 -0.26 -5.11 119.74 118.31 1ti6 s LYS 610 Ca 0.00 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.29 1ti6 s LYS 610 Cb 0.00 -2.49 0.14 0.00 -0.52 0.00 0.00 37.83 34.96 1ti6 s LYS 610 CO 0.00 0.61 0.99 0.16 -0.92 0.00 0.00 175.35 176.19 1ti6 s ASP 611 N -1.29 4.31 0.23 2.83 1.47 -1.26 -4.88 116.67 118.09 1ti6 s ASP 611 Ca 0.16 -0.56 -0.06 0.00 1.18 0.00 0.00 52.55 53.26 1ti6 s ASP 611 Cb -0.11 0.26 0.35 0.00 -0.34 0.00 0.00 42.92 43.08 1ti6 s ASP 611 CO 0.06 -1.90 1.80 -0.33 0.68 0.00 0.00 175.17 175.48 1ti6 h GLU 612 N -0.49 0.70 -0.22 2.11 5.08 -1.99 -1.79 114.58 117.98 1ti6 h GLU 612 Ca -0.33 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1ti6 h GLU 612 Cb 1.27 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1ti6 h GLU 612 CO 0.37 0.46 -0.07 1.25 -1.00 0.00 0.00 179.01 180.03 1ti6 h LEU 613 N 0.72 0.32 -0.47 1.33 5.85 -1.94 -0.90 115.31 120.22 1ti6 h LEU 613 Ca 0.36 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.88 1ti6 h LEU 613 Cb 0.32 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1ti6 h LEU 613 CO -0.24 0.43 -0.34 0.00 -0.34 0.00 0.00 178.44 177.95 1ti6 h ALA 614 N 1.61 0.65 -0.23 1.25 0.00 -1.71 -2.49 119.26 118.35 1ti6 h ALA 614 Ca 0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1ti6 h ALA 614 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ti6 h ALA 614 CO 0.02 0.67 -0.33 -1.49 0.00 0.00 0.00 179.25 178.12 1ti6 h TRP 615 N 0.75 0.54 -0.78 0.00 4.06 -0.91 -2.42 115.95 117.19 1ti6 h TRP 615 Ca 0.07 -0.13 -0.03 0.00 2.06 0.00 0.00 58.89 60.86 1ti6 h TRP 615 Cb 0.92 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.92 1ti6 h TRP 615 CO 0.06 0.74 0.37 0.00 -3.56 0.00 0.00 178.44 176.05 1ti6 h GLU 617 N 1.11 1.00 -0.41 0.00 4.81 -1.21 0.15 114.58 120.03 1ti6 h GLU 617 Ca 0.27 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 58.99 1ti6 h GLU 617 Cb 0.11 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1ti6 h GLU 617 CO -0.03 1.12 -0.03 0.37 -0.73 0.00 0.00 179.01 179.70 1ti6 h GLN 618 N 0.86 0.74 -0.14 1.92 4.15 -1.10 -2.04 115.11 119.49 1ti6 h GLN 618 Ca 0.11 -0.25 0.02 0.00 0.77 0.00 0.00 58.65 59.30 1ti6 h GLN 618 Cb 0.82 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1ti6 h GLN 618 CO 0.07 0.84 -0.01 -0.92 -1.93 0.00 0.00 178.83 176.88 1ti6 h TYR 619 N 0.56 -0.02 -0.52 3.99 3.20 -0.48 -2.60 116.97 121.10 1ti6 h TYR 619 Ca 0.11 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.08 1ti6 h TYR 619 Cb 0.53 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 1ti6 h TYR 619 CO 0.04 -0.03 0.13 0.35 -1.64 0.00 0.00 178.16 177.02 1ti6 h PHE 620 N 0.04 0.22 0.00 -3.82 3.57 -0.56 -0.99 116.94 115.40 1ti6 h PHE 620 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1ti6 h PHE 620 Cb 0.09 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1ti6 h PHE 620 CO -0.16 0.03 0.00 0.09 -2.23 0.00 0.00 178.31 176.04 1ti6 n ASN 621 N -5.08 0.00 -0.83 0.41 3.02 -0.78 -2.02 115.26 109.97 1ti6 n ASN 621 Ca 0.06 0.48 0.11 0.00 -0.03 0.00 0.00 54.58 55.20 1ti6 n ASN 621 Cb 0.25 -0.49 0.29 0.00 -0.61 0.00 0.00 39.78 39.22 1ti6 n ASN 621 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ti6 n ALA 622 N -1.49 2.47 -3.74 5.41 0.00 -0.38 -4.91 120.51 117.87 1ti6 n ALA 622 Ca 0.04 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.66 1ti6 n ALA 622 Cb 0.16 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 1ti6 n ALA 622 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ti6 n THR 623 N 0.88 0.00 1.36 0.00 -2.24 -0.86 -4.74 114.28 108.68 1ti6 n THR 623 Ca 0.17 -0.62 0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1ti6 n THR 623 Cb 0.46 -0.26 0.53 0.00 -2.10 0.00 0.00 70.33 68.97 1ti6 n THR 623 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ti6 n ASP 624 N -1.76 0.69 -0.32 3.42 10.43 -0.65 -4.29 116.55 124.07 1ti6 n ASP 624 Ca -0.02 -0.71 0.11 0.00 2.57 0.00 0.00 54.79 56.74 1ti6 n ASP 624 Cb 0.18 -0.00 0.28 0.00 1.84 0.00 0.00 41.12 43.42 1ti6 n ASP 624 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1ti6 h MET 625 N 0.84 0.61 0.00 -1.24 2.86 -1.79 -0.75 114.93 115.46 1ti6 h MET 625 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ti6 h MET 625 Cb 0.41 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1ti6 h MET 625 CO 0.00 0.40 0.11 -1.35 1.06 0.00 0.00 176.91 177.14 1ti6 h PRO 626 N 0.63 0.00 0.00 -0.22 0.11 -1.75 0.10 132.00 130.87 1ti6 h PRO 626 Ca 0.53 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.62 1ti6 h PRO 626 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1ti6 h PRO 626 CO -0.41 0.00 -0.11 0.87 -0.21 0.00 0.00 178.00 178.15 1ti6 h LYS 627 N 0.00 0.00 0.00 1.05 1.57 -1.45 -3.33 116.57 114.41 1ti6 h LYS 627 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1ti6 h LYS 627 Cb 0.23 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1ti6 h LYS 627 CO 0.00 0.11 -1.75 0.66 -0.57 0.00 0.00 179.45 177.90 1ti6 n TYR 628 N -3.21 0.00 -3.49 -1.35 4.02 0.27 -5.08 117.16 108.33 1ti6 n TYR 628 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.75 1ti6 n TYR 628 Cb 0.41 -0.52 -0.04 0.00 -0.02 0.00 0.00 39.34 39.16 1ti6 n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ti6 s MET 629 N -2.26 1.14 0.82 -0.72 0.23 -0.66 -5.13 119.30 112.72 1ti6 s MET 629 Ca -0.13 -0.05 -0.12 0.00 -1.03 0.00 0.00 55.69 54.36 1ti6 s MET 629 Cb 0.04 0.53 0.08 0.00 -1.53 0.00 0.00 34.83 33.95 1ti6 s MET 629 CO 0.36 -0.42 1.10 0.95 -2.03 0.00 0.00 175.02 174.98 1ti6 s THR 630 N -2.25 2.89 0.13 3.16 -4.23 -1.26 -3.86 115.64 110.22 1ti6 s THR 630 Ca -0.06 0.29 -0.19 0.00 -1.18 0.00 0.00 61.69 60.55 1ti6 s THR 630 Cb -0.00 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 1ti6 s THR 630 CO 0.00 -0.38 1.76 -0.25 -0.54 0.00 0.00 174.62 175.21 1ti6 h TRP 631 N -1.17 0.19 -0.50 3.99 2.91 -1.97 -0.74 115.95 118.66 1ti6 h TRP 631 Ca -0.48 0.01 0.06 0.00 1.13 0.00 0.00 58.89 59.61 1ti6 h TRP 631 Cb 1.28 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.83 1ti6 h TRP 631 CO 0.44 0.10 0.21 -0.44 -1.03 0.00 0.00 178.44 177.72 1ti6 h ASP 632 N 0.23 0.26 -0.62 2.65 3.45 -1.99 0.45 116.42 120.85 1ti6 h ASP 632 Ca 0.11 0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.55 1ti6 h ASP 632 Cb 0.05 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 38.80 1ti6 h ASP 632 CO -0.09 0.18 0.17 -0.33 -1.57 0.00 0.00 179.24 177.60 1ti6 h GLU 633 N 0.41 1.01 -0.14 3.56 5.08 -1.85 -1.75 114.58 120.90 1ti6 h GLU 633 Ca 0.23 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1ti6 h GLU 633 Cb 0.20 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ti6 h GLU 633 CO -0.20 0.89 -0.11 0.35 -1.00 0.00 0.00 179.01 178.94 1ti6 h PHE 634 N 0.97 0.39 -0.71 4.33 3.57 -0.45 -1.68 116.94 123.37 1ti6 h PHE 634 Ca 0.21 -0.11 0.10 0.00 3.53 0.00 0.00 57.97 61.70 1ti6 h PHE 634 Cb 0.33 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.91 1ti6 h PHE 634 CO 0.02 0.70 0.34 0.35 -2.23 0.00 0.00 178.31 177.49 1ti6 h PHE 635 N -0.03 0.60 -0.28 0.41 3.57 0.04 0.23 116.94 121.47 1ti6 h PHE 635 Ca 0.03 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1ti6 h PHE 635 Cb 0.62 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1ti6 h PHE 635 CO 0.08 0.19 -0.14 -0.22 -2.23 0.00 0.00 178.31 175.99 1ti6 h LYS 636 N 0.56 0.60 -0.40 1.11 3.64 -1.25 -3.21 116.57 117.62 1ti6 h LYS 636 Ca 0.36 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 1ti6 h LYS 636 Cb 0.41 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1ti6 h LYS 636 CO -0.29 0.84 -0.34 -0.22 -2.27 0.00 0.00 179.45 177.16 1ti6 h LYS 637 N 0.34 0.94 0.00 1.90 3.64 -0.86 -3.47 116.57 119.06 1ti6 h LYS 637 Ca 0.06 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1ti6 h LYS 637 Cb 0.66 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1ti6 h LYS 637 CO 0.04 1.14 0.00 0.41 -2.27 0.00 0.00 179.45 178.77 1ti6 n GLY 638 N 0.09 3.00 3.38 5.01 0.00 0.77 -4.98 105.19 112.46 1ti6 n GLY 638 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1ti6 n GLY 638 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ti6 s TYR 639 N -2.01 -0.40 -0.02 1.61 -0.85 -1.26 0.09 117.35 114.51 1ti6 s TYR 639 Ca 0.00 0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.94 1ti6 s TYR 639 Cb 0.00 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.70 1ti6 s TYR 639 CO 0.00 -0.66 -0.00 0.12 -1.52 0.00 0.00 175.55 173.49 1ti6 s PHE 640 N -2.68 0.25 -0.33 -3.49 5.36 0.17 -4.98 117.98 112.28 1ti6 s PHE 640 Ca -0.04 0.01 -0.12 0.00 -0.96 0.00 0.00 56.93 55.81 1ti6 s PHE 640 Cb -0.00 -0.31 -0.02 0.00 -0.34 0.00 0.00 43.02 42.34 1ti6 s PHE 640 CO -0.04 -0.09 0.23 0.08 -1.46 0.00 0.00 175.22 173.94 1ti6 s VAL 641 N 0.73 5.24 0.15 3.12 1.01 -1.26 -1.08 120.40 128.30 1ti6 s VAL 641 Ca -0.07 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 1ti6 s VAL 641 Cb -0.10 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 1ti6 s VAL 641 CO -0.01 0.03 1.60 -0.69 0.00 0.00 0.00 175.10 176.03 1ti6 s VAL 642 N 1.72 2.66 0.81 2.92 1.01 -0.36 -4.38 120.40 124.78 1ti6 s VAL 642 Ca 0.06 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 1ti6 s VAL 642 Cb -0.17 -3.26 0.09 0.00 0.00 0.00 0.00 36.38 33.03 1ti6 s VAL 642 CO 0.10 0.02 1.20 -2.84 0.00 0.00 0.00 175.10 173.59 1ti6 s PRO 643 N 1.51 1.62 0.61 2.72 0.02 -1.26 -4.63 135.00 135.58 1ti6 s PRO 643 Ca 0.72 1.74 -0.14 0.00 0.02 0.00 0.00 61.00 63.34 1ti6 s PRO 643 Cb -0.43 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.28 1ti6 s PRO 643 CO 0.32 -2.23 1.04 0.34 -0.33 0.00 0.00 177.00 176.14 1ti6 s ASP 644 N -2.19 5.89 -0.57 2.53 3.68 -1.26 -4.64 116.67 120.10 1ti6 s ASP 644 Ca 0.73 1.66 0.07 0.00 2.13 0.00 0.00 52.55 57.13 1ti6 s ASP 644 Cb -0.28 -2.51 0.27 0.00 -1.45 0.00 0.00 42.92 38.94 1ti6 s ASP 644 CO 0.51 -1.10 0.73 -3.20 0.13 0.00 0.00 175.17 172.24 1ti6 n ASN 645 N -2.35 3.03 -0.36 -0.34 2.85 -1.26 -4.97 115.26 111.85 1ti6 n ASN 645 Ca 0.08 -3.31 0.29 0.00 -0.11 0.00 0.00 54.58 51.53 1ti6 n ASN 645 Cb 0.53 -0.65 0.59 0.00 1.24 0.00 0.00 39.78 41.50 1ti6 n ASN 645 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ti6 h PRO 646 N 3.92 0.23 -0.01 1.20 0.11 -1.94 -2.57 132.00 132.94 1ti6 h PRO 646 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1ti6 h PRO 646 Cb 0.70 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1ti6 h PRO 646 CO 0.75 0.15 -0.32 0.09 -0.21 0.00 0.00 178.00 178.46 1ti6 n ASN 647 N -4.56 0.94 -4.75 -2.05 3.02 -1.26 -4.94 115.26 101.66 1ti6 n ASN 647 Ca 0.29 -0.77 -0.37 0.00 -0.03 0.00 0.00 54.58 53.70 1ti6 n ASN 647 Cb 1.11 0.18 0.04 0.00 -0.61 0.00 0.00 39.78 40.50 1ti6 n ASN 647 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ti6 s ARG 648 N -2.61 3.06 0.25 3.52 1.70 -0.97 -4.94 118.95 118.96 1ti6 s ARG 648 Ca 0.21 1.99 -0.30 0.00 -0.47 0.00 0.00 55.73 57.16 1ti6 s ARG 648 Cb 0.19 -2.08 -0.09 0.00 -0.57 0.00 0.00 34.95 32.40 1ti6 s ARG 648 CO 0.56 -1.18 1.07 -1.59 -1.08 0.00 0.00 175.30 173.09 1ti6 s LYS 649 N -3.12 4.67 0.13 3.89 -2.85 -1.26 -5.00 119.74 116.19 1ti6 s LYS 649 Ca 0.75 1.73 -0.30 0.00 -1.00 0.00 0.00 55.97 57.15 1ti6 s LYS 649 Cb -0.34 -3.23 -0.06 0.00 -2.06 0.00 0.00 37.83 32.13 1ti6 s LYS 649 CO 0.39 0.23 0.95 0.15 0.10 0.00 0.00 175.35 177.16 1ti6 s LYS 650 N -1.11 4.71 -0.37 1.78 -0.14 -1.26 -5.02 119.74 118.32 1ti6 s LYS 650 Ca 0.45 1.43 0.01 0.00 -1.36 0.00 0.00 55.97 56.50 1ti6 s LYS 650 Cb -0.30 -3.36 0.12 0.00 -1.68 0.00 0.00 37.83 32.61 1ti6 s LYS 650 CO 0.38 0.27 0.17 0.95 -0.76 0.00 0.00 175.35 176.36 1ti6 s THR 651 N -0.19 1.07 0.28 2.17 -4.23 -1.26 -5.11 115.64 108.37 1ti6 s THR 651 Ca 0.45 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.69 1ti6 s THR 651 Cb -0.24 -1.77 -0.10 0.00 1.34 0.00 0.00 72.50 71.73 1ti6 s THR 651 CO 0.30 -0.81 1.33 -0.69 -0.54 0.00 0.00 174.62 174.21 1ti6 s VAL 652 N 0.96 2.84 -0.01 2.29 1.01 -1.26 -4.36 120.40 121.87 1ti6 s VAL 652 Ca 0.14 0.77 -0.37 0.00 0.00 0.00 0.00 61.98 62.52 1ti6 s VAL 652 Cb -0.21 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.51 1ti6 s VAL 652 CO -0.10 0.16 1.48 0.00 0.00 0.00 0.00 175.10 176.64 1ti6 n ALA 653 N 1.57 -0.56 -0.75 5.51 0.00 -0.61 -1.83 120.51 123.85 1ti6 n ALA 653 Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1ti6 n ALA 653 Cb 0.42 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1ti6 n ALA 653 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ti6 n LEU 654 N 3.48 0.80 -0.23 0.00 4.77 -1.26 -4.50 117.00 120.06 1ti6 n LEU 654 Ca 0.21 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.13 1ti6 n LEU 654 Cb 0.18 -1.54 0.09 0.00 -2.33 0.00 0.00 43.42 39.83 1ti6 n LEU 654 CO 0.68 -0.55 0.98 -0.09 -1.33 0.00 0.00 177.39 177.08 1ti6 h ARG 655 N 0.44 1.07 -0.90 3.23 2.43 -1.48 -1.06 114.38 118.12 1ti6 h ARG 655 Ca 0.00 -0.23 0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1ti6 h ARG 655 Cb 0.30 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1ti6 h ARG 655 CO 0.00 0.92 0.57 0.11 -1.51 0.00 0.00 179.97 180.06 1ti6 h TRP 656 N 1.03 1.05 -0.19 2.20 5.08 -1.89 -0.31 115.95 122.92 1ti6 h TRP 656 Ca 0.22 0.03 -0.04 0.00 1.08 0.00 0.00 58.89 60.19 1ti6 h TRP 656 Cb 0.31 -0.34 -0.01 0.00 -3.00 0.00 0.00 29.16 26.12 1ti6 h TRP 656 CO 0.02 0.54 -0.02 0.35 -1.28 0.00 0.00 178.44 178.05 1ti6 h PHE 657 N 1.04 0.39 -0.60 0.12 3.57 -1.63 -0.58 116.94 119.24 1ti6 h PHE 657 Ca 0.39 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.85 1ti6 h PHE 657 Cb 0.16 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1ti6 h PHE 657 CO -0.02 0.58 0.40 0.00 -2.23 0.00 0.00 178.31 177.03 1ti6 h ALA 658 N 0.76 1.71 -0.44 2.41 0.00 -0.72 -1.24 119.26 121.74 1ti6 h ALA 658 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ti6 h ALA 658 Cb 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ti6 h ALA 658 CO 0.01 0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.87 1ti6 n GLU 659 N -4.47 2.04 -3.90 0.00 1.02 -0.17 -4.95 120.64 110.21 1ti6 n GLU 659 Ca 0.08 -1.62 -0.30 0.00 -0.02 0.00 0.00 57.16 55.30 1ti6 n GLU 659 Cb 0.16 -1.36 0.03 0.00 -0.02 0.00 0.00 31.44 30.25 1ti6 n GLU 659 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 660 N 1.22 -0.49 2.90 0.62 0.00 -0.47 -4.99 105.19 103.98 1ti6 n GLY 660 Ca 0.15 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 1ti6 n GLY 660 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ti6 n ARG 661 N -4.68 0.87 -2.01 1.61 1.85 -0.30 -4.96 116.66 109.04 1ti6 n ARG 661 Ca 0.03 -2.96 -0.41 0.00 -1.00 0.00 0.00 57.85 53.51 1ti6 n ARG 661 Cb 0.53 1.06 -0.02 0.00 -1.05 0.00 0.00 32.46 32.99 1ti6 n ARG 661 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1ti6 s GLU 662 N -3.42 4.27 0.18 2.89 8.01 -1.26 -4.39 118.70 124.98 1ti6 s GLU 662 Ca 0.06 2.33 -0.33 0.00 0.01 0.00 0.00 54.97 57.03 1ti6 s GLU 662 Cb 0.00 -3.06 -0.14 0.00 -4.31 0.00 0.00 34.13 26.62 1ti6 s GLU 662 CO 0.04 -0.35 1.46 1.17 0.01 0.00 0.00 175.26 177.59 1ti6 n LYS 663 N 1.28 1.92 0.00 1.61 0.00 -1.05 -4.86 118.16 117.06 1ti6 n LYS 663 Ca 0.03 0.69 0.00 0.00 0.00 0.00 0.00 58.31 59.03 1ti6 n LYS 663 Cb 0.41 -2.38 0.00 0.00 0.00 0.00 0.00 35.03 33.05 1ti6 n LYS 663 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ti6 n ASP 664 N 2.74 0.90 -4.77 3.14 5.75 -1.26 -5.08 116.55 117.97 1ti6 n ASP 664 Ca 0.15 -1.31 -0.25 0.00 -0.01 0.00 0.00 54.79 53.37 1ti6 n ASP 664 Cb 0.28 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.46 1ti6 n ASP 664 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ti6 s THR 665 N -0.31 2.26 -2.01 2.12 -4.23 -1.26 -4.93 115.64 107.28 1ti6 s THR 665 Ca 0.00 -0.37 0.06 0.00 -1.18 0.00 0.00 61.69 60.20 1ti6 s THR 665 Cb 0.00 -2.90 0.17 0.00 1.34 0.00 0.00 72.50 71.11 1ti6 s THR 665 CO 0.00 0.00 1.17 -2.65 -0.54 0.00 0.00 174.62 172.60 1ti6 n PRO 666 N -2.93 1.31 -1.49 3.99 -0.02 -1.26 -4.93 135.00 129.67 1ti6 n PRO 666 Ca 0.11 -0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 60.74 1ti6 n PRO 666 Cb 0.60 -1.13 0.07 0.00 -0.02 0.00 0.00 33.50 33.02 1ti6 n PRO 666 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ti6 n ASP 667 N -0.14 0.64 -0.09 2.55 2.03 -1.26 -4.87 116.55 115.41 1ti6 n ASP 667 Ca 0.06 0.73 0.01 0.00 0.52 0.00 0.00 54.79 56.10 1ti6 n ASP 667 Cb 0.12 -1.40 0.02 0.00 -0.72 0.00 0.00 41.12 39.13 1ti6 n ASP 667 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1ti6 n TRP 668 N -2.18 0.06 -3.83 -0.67 7.02 -1.26 -4.86 117.44 111.72 1ti6 n TRP 668 Ca 0.14 -0.03 -0.06 0.00 -1.02 0.00 0.00 57.50 56.53 1ti6 n TRP 668 Cb 0.49 -0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.39 1ti6 n TRP 668 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1ti6 s GLY 669 N -0.99 0.14 0.71 6.99 0.00 -1.26 -4.67 107.32 108.24 1ti6 s GLY 669 Ca 0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.21 1ti6 s GLY 669 CO 0.02 0.66 1.07 2.56 0.00 0.00 0.00 173.10 177.41 1ti6 s PRO 670 N -2.61 2.83 0.54 2.90 0.04 -1.26 -5.05 135.00 132.38 1ti6 s PRO 670 Ca 0.16 0.85 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 1ti6 s PRO 670 Cb -0.04 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1ti6 s PRO 670 CO 0.07 -1.15 1.12 1.03 0.04 0.00 0.00 177.00 178.12 1ti6 s ARG 671 N -5.09 3.37 0.29 4.56 0.52 -1.26 -4.92 118.95 116.41 1ti6 s ARG 671 Ca 0.58 1.58 0.03 0.00 -0.52 0.00 0.00 55.73 57.41 1ti6 s ARG 671 Cb -0.14 -2.01 0.63 0.00 0.52 0.00 0.00 34.95 33.96 1ti6 s ARG 671 CO 0.55 -0.83 1.80 -0.07 0.02 0.00 0.00 175.30 176.77 1ti6 h LEU 672 N 1.18 0.84 -1.19 2.53 3.38 -1.98 -0.84 115.31 119.24 1ti6 h LEU 672 Ca -0.50 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1ti6 h LEU 672 Cb 1.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ti6 h LEU 672 CO 0.57 0.38 0.00 -0.55 0.09 0.00 0.00 178.44 178.93 1ti6 h ASN 673 N 0.87 0.00 -0.57 -0.43 7.08 -2.03 -1.91 115.58 118.59 1ti6 h ASN 673 Ca 0.53 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.75 1ti6 h ASN 673 Cb 0.68 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.92 1ti6 h ASN 673 CO -0.32 0.00 0.00 0.59 -2.08 0.00 0.00 177.43 175.62 1ti6 n ASN 674 N -2.46 3.71 -4.20 6.14 5.03 -0.32 -4.92 115.26 118.24 1ti6 n ASN 674 Ca 0.01 -2.21 -0.12 0.00 0.87 0.00 0.00 54.58 53.13 1ti6 n ASN 674 Cb 0.18 -0.47 -0.10 0.00 -1.02 0.00 0.00 39.78 38.37 1ti6 n ASN 674 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1ti6 s GLN 675 N -1.53 0.95 -0.26 3.52 -0.21 -0.72 -4.39 119.66 117.01 1ti6 s GLN 675 Ca 0.42 -1.42 -0.05 0.00 0.02 0.00 0.00 55.36 54.33 1ti6 s GLN 675 Cb 0.25 -0.21 0.01 0.00 1.00 0.00 0.00 33.01 34.06 1ti6 s GLN 675 CO 0.24 -0.07 0.02 0.08 -2.12 0.00 0.00 175.29 173.43 1ti6 s VAL 676 N -3.66 3.57 -1.46 1.09 1.01 -1.25 -4.50 120.40 115.21 1ti6 s VAL 676 Ca 0.17 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1ti6 s VAL 676 Cb 0.06 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.69 1ti6 s VAL 676 CO -0.01 0.19 0.68 0.00 0.00 0.00 0.00 175.10 175.97 1ti6 n ARG 678 N -4.14 -2.47 -4.36 0.00 1.85 -1.26 -4.83 116.66 101.45 1ti6 n ARG 678 Ca -0.05 0.30 -0.23 0.00 -1.00 0.00 0.00 57.85 56.87 1ti6 n ARG 678 Cb 0.58 -4.85 -0.11 0.00 -1.05 0.00 0.00 32.46 27.03 1ti6 n ARG 678 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1ti6 s LYS 679 N -7.00 1.36 0.00 2.89 1.02 -0.99 -2.52 119.74 114.51 1ti6 s LYS 679 Ca 0.64 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1ti6 s LYS 679 Cb -0.36 -1.46 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1ti6 s LYS 679 CO 0.95 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 176.09 1ti6 n GLY 680 N 0.16 -2.11 3.74 -3.33 0.00 -1.26 -3.75 105.19 98.63 1ti6 n GLY 680 Ca -0.12 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 1ti6 n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ti6 s LEU 681 N -4.72 1.86 0.60 0.99 1.43 0.10 -4.89 118.68 114.04 1ti6 s LEU 681 Ca 0.00 1.09 0.39 0.00 -1.03 0.00 0.00 54.13 54.58 1ti6 s LEU 681 Cb 0.00 -3.37 1.92 0.00 0.03 0.00 0.00 46.19 44.77 1ti6 s LEU 681 CO 0.00 -2.78 2.18 -0.61 0.23 0.00 0.00 176.35 175.36 1ti6 h GLN 682 N -1.65 0.00 -7.18 1.70 4.15 -1.77 -3.37 115.11 106.99 1ti6 h GLN 682 Ca -0.52 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.37 1ti6 h GLN 682 Cb 1.33 0.00 0.19 0.00 0.21 0.00 0.00 27.48 29.21 1ti6 h GLN 682 CO 0.60 0.00 0.24 0.25 -1.93 0.00 0.00 178.83 177.99 1ti6 n THR 683 N -3.04 1.37 -0.16 2.39 -2.24 -1.26 -4.85 114.28 106.48 1ti6 n THR 683 Ca -0.01 -0.15 -0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1ti6 n THR 683 Cb 0.17 -1.10 0.05 0.00 -2.10 0.00 0.00 70.33 67.35 1ti6 n THR 683 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ti6 h THR 684 N -1.20 0.52 0.00 4.28 2.02 -1.90 -0.31 112.91 116.32 1ti6 h THR 684 Ca -0.45 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1ti6 h THR 684 Cb 1.29 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1ti6 h THR 684 CO 0.44 0.01 0.00 0.71 0.37 0.00 0.00 175.52 177.05 1ti6 h THR 685 N 0.04 0.00 0.00 3.16 1.35 -1.91 -3.47 112.91 112.08 1ti6 h THR 685 Ca 0.25 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1ti6 h THR 685 Cb 0.39 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1ti6 h THR 685 CO -0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.38 1ti6 n GLY 686 N 0.85 0.73 3.76 5.82 0.00 -0.13 -4.93 105.19 111.29 1ti6 n GLY 686 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1ti6 n GLY 686 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 687 N -0.08 2.17 -0.22 1.61 1.02 -1.26 -0.73 119.74 122.25 1ti6 s LYS 687 Ca 0.00 -2.20 -0.29 0.00 0.02 0.00 0.00 55.97 53.50 1ti6 s LYS 687 Cb 0.00 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 1ti6 s LYS 687 CO 0.00 -0.31 1.16 0.08 -0.92 0.00 0.00 175.35 175.36 1ti6 s VAL 688 N -2.79 4.44 -0.56 3.17 1.01 -0.03 -4.75 120.40 120.89 1ti6 s VAL 688 Ca 0.21 1.72 -0.17 0.00 0.00 0.00 0.00 61.98 63.74 1ti6 s VAL 688 Cb 0.03 -4.18 0.12 0.00 0.00 0.00 0.00 36.38 32.35 1ti6 s VAL 688 CO 0.12 -0.23 0.56 -1.61 0.00 0.00 0.00 175.10 173.93 1ti6 s GLU 689 N 3.49 3.01 0.53 2.72 2.02 0.12 -0.37 118.70 130.21 1ti6 s GLU 689 Ca 0.50 -1.59 0.29 0.00 0.02 0.00 0.00 54.97 54.19 1ti6 s GLU 689 Cb -0.17 -4.29 1.44 0.00 0.10 0.00 0.00 34.13 31.21 1ti6 s GLU 689 CO 0.12 -1.39 2.05 0.74 0.02 0.00 0.00 175.26 176.80 1ti6 h PHE 690 N 8.98 0.00 -3.61 1.61 -1.00 -1.48 -3.25 116.94 118.18 1ti6 h PHE 690 Ca -0.30 0.00 -0.65 0.00 2.81 0.00 0.00 57.97 59.84 1ti6 h PHE 690 Cb 1.10 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.26 1ti6 h PHE 690 CO 0.76 0.11 -0.74 0.42 -1.61 0.00 0.00 178.31 177.26 1ti6 s ILE 691 N -4.04 1.99 -0.03 -0.55 1.01 -1.25 -2.02 121.20 116.32 1ti6 s ILE 691 Ca -0.02 -2.06 -0.30 0.00 0.00 0.00 0.00 60.65 58.27 1ti6 s ILE 691 Cb 0.12 -2.43 -0.06 0.00 0.01 0.00 0.00 42.46 40.10 1ti6 s ILE 691 CO 0.57 -0.53 1.67 0.00 0.00 0.00 0.00 174.94 176.65 1ti6 s ALA 692 N 1.07 3.62 0.30 9.38 0.00 0.13 -4.87 121.76 131.38 1ti6 s ALA 692 Ca 0.08 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.07 1ti6 s ALA 692 Cb -0.19 -3.74 0.47 0.00 0.00 0.00 0.00 23.12 19.66 1ti6 s ALA 692 CO -0.10 -1.35 1.76 1.79 0.00 0.00 0.00 175.76 177.86 1ti6 h THR 693 N 5.45 1.25 -0.20 0.00 1.35 -1.90 -0.24 112.91 118.62 1ti6 h THR 693 Ca -0.40 -1.14 -0.02 0.00 -0.55 0.00 0.00 66.41 64.29 1ti6 h THR 693 Cb 1.19 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1ti6 h THR 693 CO 0.95 0.37 0.04 0.77 -0.25 0.00 0.00 175.52 177.39 1ti6 h SER 694 N 0.44 0.32 0.32 5.36 4.64 -1.91 -1.31 113.55 121.42 1ti6 h SER 694 Ca 0.07 -0.25 -0.12 0.00 -0.47 0.00 0.00 61.79 61.02 1ti6 h SER 694 Cb 0.58 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1ti6 h SER 694 CO 0.04 0.49 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.91 1ti6 h LEU 695 N 0.14 0.23 -0.69 5.97 3.38 -1.88 -1.35 115.31 121.11 1ti6 h LEU 695 Ca 0.06 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1ti6 h LEU 695 Cb 0.30 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1ti6 h LEU 695 CO 0.00 0.69 0.16 0.50 0.09 0.00 0.00 178.44 179.89 1ti6 h LYS 696 N 0.17 1.10 -0.06 1.13 3.64 -0.88 0.37 116.57 122.03 1ti6 h LYS 696 Ca 0.01 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1ti6 h LYS 696 Cb 0.95 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1ti6 h LYS 696 CO 0.08 0.98 0.03 -0.91 -2.27 0.00 0.00 179.45 177.36 1ti6 h ASN 697 N 1.04 0.08 -0.22 4.20 -0.26 -0.95 -1.92 115.58 117.54 1ti6 h ASN 697 Ca 0.21 -0.13 0.05 0.00 -0.56 0.00 0.00 56.30 55.88 1ti6 h ASN 697 Cb 0.38 -0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.56 1ti6 h ASN 697 CO 0.00 0.19 -0.14 0.15 -1.06 0.00 0.00 177.43 176.58 1ti6 h PHE 698 N -0.03 -0.33 -0.18 1.19 3.57 -0.86 -0.85 116.94 119.45 1ti6 h PHE 698 Ca 0.02 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1ti6 h PHE 698 Cb 0.13 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1ti6 h PHE 698 CO -0.03 -0.20 -0.32 1.05 -2.23 0.00 0.00 178.31 176.58 1ti6 h GLU 699 N -0.12 0.35 0.00 1.11 4.11 -0.91 -2.23 114.58 116.89 1ti6 h GLU 699 Ca 0.13 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1ti6 h GLU 699 Cb 0.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ti6 h GLU 699 CO -0.30 0.63 0.00 0.39 0.07 0.00 0.00 179.01 179.80 1ti6 n GLU 700 N -4.09 0.16 -0.01 1.06 1.02 -0.73 -1.69 120.64 116.37 1ti6 n GLU 700 Ca -0.01 0.24 0.14 0.00 -0.02 0.00 0.00 57.16 57.51 1ti6 n GLU 700 Cb 0.43 -1.72 0.63 0.00 -0.02 0.00 0.00 31.44 30.75 1ti6 n GLU 700 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ti6 n GLN 701 N -2.00 1.48 0.00 3.49 6.02 -0.37 -4.90 117.38 121.09 1ti6 n GLN 701 Ca 0.05 -0.69 0.00 0.00 -0.01 0.00 0.00 57.00 56.34 1ti6 n GLN 701 Cb 0.32 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1ti6 n GLN 701 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ti6 n GLY 702 N 1.12 0.78 3.53 1.08 0.00 -0.68 -5.03 105.19 105.98 1ti6 n GLY 702 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1ti6 n GLY 702 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ti6 s TYR 703 N -2.07 2.91 -0.01 1.61 1.51 -0.98 -4.97 117.35 115.37 1ti6 s TYR 703 Ca 0.00 -1.51 -0.30 0.00 -1.01 0.00 0.00 57.07 54.25 1ti6 s TYR 703 Cb 0.00 -4.59 -0.03 0.00 -0.11 0.00 0.00 41.96 37.23 1ti6 s TYR 703 CO 0.00 -1.71 1.07 0.42 -1.11 0.00 0.00 175.55 174.22 1ti6 s ILE 704 N 3.66 4.54 -0.30 2.71 -1.09 -1.26 -3.95 121.20 125.51 1ti6 s ILE 704 Ca 0.47 1.83 -0.01 0.00 -2.23 0.00 0.00 60.65 60.71 1ti6 s ILE 704 Cb 0.00 -4.17 0.13 0.00 -1.58 0.00 0.00 42.46 36.84 1ti6 s ILE 704 CO -0.01 0.10 0.27 -0.62 -1.23 0.00 0.00 174.94 173.46 1ti6 s ASP 705 N 1.10 1.99 0.29 3.58 -1.08 -1.26 -4.99 116.67 116.31 1ti6 s ASP 705 Ca 0.54 -0.95 0.01 0.00 -0.52 0.00 0.00 52.55 51.63 1ti6 s ASP 705 Cb -0.23 0.34 0.55 0.00 -1.46 0.00 0.00 42.92 42.12 1ti6 s ASP 705 CO 0.26 -0.39 1.87 -0.08 0.52 0.00 0.00 175.17 177.35 1ti6 h GLU 706 N 8.16 0.97 -0.44 4.34 4.81 -2.02 -2.26 114.58 128.15 1ti6 h GLU 706 Ca -0.12 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1ti6 h GLU 706 Cb 1.06 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1ti6 h GLU 706 CO 0.34 0.64 0.00 0.72 -0.73 0.00 0.00 179.01 179.99 1ti6 n HIS 707 N -4.56 0.47 -3.01 0.92 8.25 -1.26 -4.06 115.22 111.97 1ti6 n HIS 707 Ca 0.17 -0.20 -0.16 0.00 -0.26 0.00 0.00 57.72 57.27 1ti6 n HIS 707 Cb 0.30 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1ti6 n HIS 707 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1ti6 n ARG 708 N 0.27 0.90 -2.12 -0.41 0.63 -0.85 -4.79 116.66 110.29 1ti6 n ARG 708 Ca 0.09 -2.75 -0.36 0.00 -0.92 0.00 0.00 57.85 53.91 1ti6 n ARG 708 Cb 0.33 -1.40 0.01 0.00 0.45 0.00 0.00 32.46 31.86 1ti6 n ARG 708 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1ti6 s PRO 709 N -1.05 3.31 0.44 -0.14 0.04 -1.24 -4.81 135.00 131.55 1ti6 s PRO 709 Ca 0.33 1.80 0.09 0.00 0.04 0.00 0.00 61.00 63.26 1ti6 s PRO 709 Cb 0.28 -2.11 0.96 0.00 0.04 0.00 0.00 34.50 33.66 1ti6 s PRO 709 CO -0.10 -0.93 2.08 0.66 0.04 0.00 0.00 177.00 178.75 1ti6 h SER 710 N 1.35 0.36 -3.20 6.66 4.64 -1.90 -3.40 113.55 118.06 1ti6 h SER 710 Ca -0.50 -0.01 -0.60 0.00 -0.47 0.00 0.00 61.79 60.20 1ti6 h SER 710 Cb 1.27 -0.09 -0.10 0.00 -0.31 0.00 0.00 62.40 63.17 1ti6 h SER 710 CO 0.57 0.26 -0.42 -0.32 -0.87 0.00 0.00 176.83 176.05 1ti6 s MET 711 N -5.39 4.12 -0.13 4.77 -2.45 -1.26 -0.70 119.30 118.26 1ti6 s MET 711 Ca -0.07 -0.07 -0.29 0.00 -1.25 0.00 0.00 55.69 54.01 1ti6 s MET 711 Cb 0.17 -3.39 -0.06 0.00 1.25 0.00 0.00 34.83 32.80 1ti6 s MET 711 CO 0.72 0.35 2.06 -1.58 1.05 0.00 0.00 175.02 177.61 1ti6 s HIS 712 N 0.19 1.32 0.32 4.11 2.46 -0.86 -4.93 115.29 117.89 1ti6 s HIS 712 Ca 0.12 0.18 0.05 0.00 0.47 0.00 0.00 55.06 55.89 1ti6 s HIS 712 Cb -0.12 -4.05 -0.03 0.00 -0.13 0.00 0.00 32.58 28.24 1ti6 s HIS 712 CO 0.01 -4.47 0.22 0.95 -2.47 0.00 0.00 174.74 168.98 1ti6 s THR 713 N 6.59 0.13 -1.15 0.89 -4.23 -1.26 -5.04 115.64 111.56 1ti6 s THR 713 Ca 0.93 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 59.27 1ti6 s THR 713 Cb -0.35 -2.48 0.12 0.00 1.34 0.00 0.00 72.50 71.13 1ti6 s THR 713 CO 0.37 0.00 1.45 -0.47 -0.54 0.00 0.00 174.62 175.43 1ti6 s TYR 714 N -3.54 3.14 -0.34 3.99 5.04 -1.26 -4.92 117.35 119.46 1ti6 s TYR 714 Ca 0.37 -1.72 -0.25 0.00 -2.44 0.00 0.00 57.07 53.03 1ti6 s TYR 714 Cb 0.03 -4.46 0.01 0.00 0.35 0.00 0.00 41.96 37.89 1ti6 s TYR 714 CO 0.22 -1.58 0.88 0.08 -1.34 0.00 0.00 175.55 173.81 1ti6 s VAL 715 N 2.82 4.67 0.23 3.14 1.01 -1.26 -5.00 120.40 126.01 1ti6 s VAL 715 Ca 0.44 1.20 -0.32 0.00 0.00 0.00 0.00 61.98 63.30 1ti6 s VAL 715 Cb -0.01 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 1ti6 s VAL 715 CO -0.01 -0.42 1.56 -2.65 0.00 0.00 0.00 175.10 173.58 1ti6 n PRO 716 N 6.55 2.41 -1.70 2.72 -0.02 -1.26 -4.88 135.00 138.81 1ti6 n PRO 716 Ca 0.06 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 1ti6 n PRO 716 Cb 0.48 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 1ti6 n PRO 716 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ti6 s ALA 717 N 0.42 3.82 -0.23 3.55 0.00 -1.26 -4.86 121.76 123.19 1ti6 s ALA 717 Ca 0.71 1.50 0.25 0.00 0.00 0.00 0.00 51.96 54.42 1ti6 s ALA 717 Cb -0.58 -3.75 1.20 0.00 0.00 0.00 0.00 23.12 19.99 1ti6 s ALA 717 CO 0.43 -1.15 1.76 0.11 0.00 0.00 0.00 175.76 176.91 1ti6 h TRP 718 N 8.12 0.00 -2.36 0.00 5.08 -1.90 -3.19 115.95 121.70 1ti6 h TRP 718 Ca -0.45 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 58.93 1ti6 h TRP 718 Cb 1.21 0.00 -0.40 0.00 -3.00 0.00 0.00 29.16 26.97 1ti6 h TRP 718 CO 0.75 0.00 -0.82 -1.91 -1.28 0.00 0.00 178.44 175.18 1ti6 n GLU 719 N -2.38 1.36 -4.34 0.12 2.13 -1.26 -4.53 120.64 111.74 1ti6 n GLU 719 Ca 0.00 -3.90 -0.18 0.00 0.66 0.00 0.00 57.16 53.74 1ti6 n GLU 719 Cb 0.14 -1.84 -0.10 0.00 0.27 0.00 0.00 31.44 29.91 1ti6 n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1ti6 s SER 720 N -1.35 1.86 0.36 4.31 1.04 -1.21 -4.41 113.70 114.30 1ti6 s SER 720 Ca 0.34 -1.25 0.08 0.00 0.48 0.00 0.00 55.95 55.61 1ti6 s SER 720 Cb 0.09 0.01 0.68 0.00 0.10 0.00 0.00 66.02 66.90 1ti6 s SER 720 CO -0.11 -0.53 1.86 1.56 0.98 0.00 0.00 173.24 176.99 1ti6 h GLN 721 N 2.43 0.27 -0.01 4.02 4.20 -1.92 -2.75 115.11 121.34 1ti6 h GLN 721 Ca -0.39 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1ti6 h GLN 721 Cb 1.23 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1ti6 h GLN 721 CO 0.65 0.46 -0.53 0.36 -0.67 0.00 0.00 178.83 179.10 1ti6 n LYS 722 N -4.21 1.29 0.00 1.46 2.85 -1.26 -4.51 118.16 113.78 1ti6 n LYS 722 Ca -0.01 -0.69 0.03 0.00 -1.05 0.00 0.00 58.31 56.59 1ti6 n LYS 722 Cb 0.32 -1.39 -0.01 0.00 -0.65 0.00 0.00 35.03 33.30 1ti6 n LYS 722 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ti6 n HIS 723 N -0.40 0.00 -4.58 5.58 8.25 -1.22 -5.00 115.22 117.85 1ti6 n HIS 723 Ca 0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.19 1ti6 n HIS 723 Cb 0.38 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.37 1ti6 n HIS 723 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ti6 s SER 724 N -1.24 4.54 0.61 0.41 0.15 -1.04 -4.89 113.70 112.25 1ti6 s SER 724 Ca 0.05 -0.14 0.34 0.00 0.70 0.00 0.00 55.95 56.90 1ti6 s SER 724 Cb 0.06 -1.51 2.00 0.00 -1.71 0.00 0.00 66.02 64.86 1ti6 s SER 724 CO 0.20 0.24 2.29 -0.65 1.20 0.00 0.00 173.24 176.52 1ti6 h PRO 725 N 6.17 0.00 0.00 5.44 0.11 -1.91 -1.43 132.00 140.39 1ti6 h PRO 725 Ca -0.36 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 1ti6 h PRO 725 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ti6 h PRO 725 CO 0.57 0.00 -0.13 -0.07 -0.21 0.00 0.00 178.00 178.16 1ti6 h LEU 726 N 0.00 0.00 -2.17 2.35 4.07 -1.93 -3.02 115.31 114.61 1ti6 h LEU 726 Ca -0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 1ti6 h LEU 726 Cb 0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1ti6 h LEU 726 CO 0.00 0.13 0.22 0.00 -1.08 0.00 0.00 178.44 177.71 1ti6 h ALA 727 N 1.87 1.91 -0.01 1.53 0.00 -1.40 0.13 119.26 123.29 1ti6 h ALA 727 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ti6 h ALA 727 Cb 0.40 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ti6 h ALA 727 CO 0.02 -0.33 0.00 0.28 0.00 0.00 0.00 179.25 179.22 1ti6 h VAL 728 N 0.00 1.06 0.10 0.00 2.07 -1.74 -2.14 116.25 115.60 1ti6 h VAL 728 Ca 0.10 -0.17 -0.28 0.00 0.82 0.00 0.00 66.70 67.17 1ti6 h VAL 728 Cb 0.54 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1ti6 h VAL 728 CO -0.00 0.05 -1.32 0.11 0.02 0.00 0.00 177.57 176.42 1ti6 h LYS 729 N -0.06 0.22 -3.00 1.57 1.57 -1.60 -3.40 116.57 111.87 1ti6 h LYS 729 Ca 0.00 -0.37 -0.62 0.00 -1.87 0.00 0.00 60.65 57.79 1ti6 h LYS 729 Cb 0.07 0.14 -0.41 0.00 0.08 0.00 0.00 32.23 32.11 1ti6 h LYS 729 CO -0.00 1.13 -0.67 0.71 -0.57 0.00 0.00 179.45 180.05 1ti6 s TYR 730 N -2.65 2.89 -0.39 -1.35 2.02 0.38 -4.71 117.35 113.54 1ti6 s TYR 730 Ca -0.05 -3.03 0.26 0.00 -0.37 0.00 0.00 57.07 53.89 1ti6 s TYR 730 Cb 0.07 -2.32 1.00 0.00 -0.40 0.00 0.00 41.96 40.31 1ti6 s TYR 730 CO 0.86 -0.65 1.78 -1.00 -1.57 0.00 0.00 175.55 174.97 1ti6 h PRO 731 N 5.79 0.00 -5.82 -1.71 0.13 -1.38 -3.35 132.00 125.66 1ti6 h PRO 731 Ca 0.11 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.66 1ti6 h PRO 731 Cb 0.82 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.88 1ti6 h PRO 731 CO 0.63 0.00 -0.10 -0.51 -0.23 0.00 0.00 178.00 177.78 1ti6 s LEU 732 N -5.00 4.30 -0.19 1.56 1.43 -0.49 -4.94 118.68 115.35 1ti6 s LEU 732 Ca 0.05 0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 53.85 1ti6 s LEU 732 Cb 0.09 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1ti6 s LEU 732 CO 0.48 0.01 0.57 -0.83 0.23 0.00 0.00 176.35 176.81 1ti6 s GLY 733 N 0.48 2.09 -0.06 -3.19 0.00 -0.32 -0.93 107.32 105.38 1ti6 s GLY 733 Ca 0.28 -0.33 0.02 0.00 0.00 0.00 0.00 44.72 44.69 1ti6 s GLY 733 CO 0.12 1.16 -0.12 -0.29 0.00 0.00 0.00 173.10 173.97 1ti6 s MET 734 N 1.69 2.67 0.08 2.90 1.75 0.13 -0.45 119.30 128.08 1ti6 s MET 734 Ca 0.26 -0.66 0.10 0.00 -1.25 0.00 0.00 55.69 54.14 1ti6 s MET 734 Cb -0.16 -2.46 -0.03 0.00 2.84 0.00 0.00 34.83 35.02 1ti6 s MET 734 CO 0.10 0.58 -0.25 -0.48 -0.65 0.00 0.00 175.02 174.32 1ti6 s LEU 735 N -0.62 2.24 -0.40 4.11 2.34 -1.05 -2.17 118.68 123.14 1ti6 s LEU 735 Ca 0.09 -0.65 0.06 0.00 0.06 0.00 0.00 54.13 53.69 1ti6 s LEU 735 Cb -0.11 -1.17 0.21 0.00 -0.56 0.00 0.00 46.19 44.55 1ti6 s LEU 735 CO 0.01 0.19 0.45 -1.54 -1.06 0.00 0.00 176.35 174.40 1ti6 n SER 736 N 1.37 -0.29 -3.30 1.48 3.41 -1.26 -2.91 113.62 112.13 1ti6 n SER 736 Ca -0.18 -2.56 -0.25 0.00 -0.26 0.00 0.00 58.87 55.63 1ti6 n SER 736 Cb 0.53 -0.49 0.22 0.00 -0.26 0.00 0.00 64.21 64.20 1ti6 n SER 736 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ti6 n PRO 737 N 2.11 -3.38 -2.28 4.33 -0.02 -1.26 -3.57 135.00 130.93 1ti6 n PRO 737 Ca 0.25 -1.35 -0.39 0.00 -2.02 0.00 0.00 63.50 59.99 1ti6 n PRO 737 Cb 0.51 -1.43 -0.03 0.00 -0.02 0.00 0.00 33.50 32.54 1ti6 n PRO 737 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1ti6 s HIS 738 N -2.36 3.17 0.25 6.00 3.76 -1.26 -1.15 115.29 123.71 1ti6 s HIS 738 Ca 0.57 1.55 -0.31 0.00 -0.15 0.00 0.00 55.06 56.72 1ti6 s HIS 738 Cb -0.07 -3.46 -0.12 0.00 1.11 0.00 0.00 32.58 30.04 1ti6 s HIS 738 CO 0.45 -1.31 1.60 -0.35 -0.85 0.00 0.00 174.74 174.28 1ti6 n PRO 739 N 0.54 2.59 -0.19 8.40 -0.04 -1.26 -4.84 135.00 140.20 1ti6 n PRO 739 Ca 0.02 0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 64.30 1ti6 n PRO 739 Cb 0.45 -2.71 0.01 0.00 -0.04 0.00 0.00 33.50 31.21 1ti6 n PRO 739 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1ti6 h ARG 740 N 5.30 0.99 -0.49 0.54 9.65 -1.92 -3.30 114.38 125.15 1ti6 h ARG 740 Ca -0.46 -0.34 -0.16 0.00 -1.10 0.00 0.00 59.98 57.92 1ti6 h ARG 740 Cb 1.23 -0.08 -0.09 0.00 -1.39 0.00 0.00 29.97 29.64 1ti6 h ARG 740 CO 0.84 1.02 0.11 1.19 2.80 0.00 0.00 179.97 185.93 1ti6 n PHE 741 N -4.21 1.61 -3.61 2.20 3.01 -1.26 -4.87 117.46 110.34 1ti6 n PHE 741 Ca 0.02 -1.26 -0.14 0.00 1.01 0.00 0.00 57.45 57.07 1ti6 n PHE 741 Cb 0.37 -0.53 -0.06 0.00 -0.01 0.00 0.00 39.48 39.25 1ti6 n PHE 741 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ti6 s SER 742 N -1.79 -0.42 -0.88 4.37 0.15 -1.24 -4.23 113.70 109.67 1ti6 s SER 742 Ca 0.48 0.24 -0.16 0.00 0.70 0.00 0.00 55.95 57.21 1ti6 s SER 742 Cb 0.40 0.46 0.18 0.00 -1.71 0.00 0.00 66.02 65.35 1ti6 s SER 742 CO 0.08 -0.64 0.94 -0.32 1.20 0.00 0.00 173.24 174.49 1ti6 s MET 743 N -2.01 3.60 5.41 5.44 1.75 -0.98 -4.52 119.30 127.99 1ti6 s MET 743 Ca -0.08 -2.13 0.00 0.00 -1.25 0.00 0.00 55.69 52.23 1ti6 s MET 743 Cb -0.01 -4.66 0.00 0.00 2.84 0.00 0.00 34.83 33.00 1ti6 s MET 743 CO 0.02 -1.52 0.00 0.72 -0.65 0.00 0.00 175.02 173.59 1ti6 n HIS 744 N 5.19 0.00 0.46 4.11 8.25 -1.26 -1.05 115.22 130.91 1ti6 n HIS 744 Ca 0.19 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.78 1ti6 n HIS 744 Cb 0.48 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.99 1ti6 n HIS 744 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1ti6 h THR 745 N 0.00 0.00 -1.00 1.59 1.35 -1.89 -3.41 112.91 109.54 1ti6 h THR 745 Ca 0.00 -0.54 -0.64 0.00 -0.55 0.00 0.00 66.41 64.68 1ti6 h THR 745 Cb 0.00 1.48 -0.09 0.00 -1.73 0.00 0.00 68.15 67.81 1ti6 h THR 745 CO 0.00 0.00 1.87 -0.04 -0.25 0.00 0.00 175.52 177.10 1ti6 s MET 746 N -3.23 3.81 0.00 4.72 -1.94 -0.22 -3.16 119.30 119.28 1ti6 s MET 746 Ca 0.08 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 1ti6 s MET 746 Cb 0.10 -5.45 0.00 0.00 2.01 0.00 0.00 34.83 31.49 1ti6 s MET 746 CO 0.56 -2.23 0.00 0.41 -0.01 0.00 0.00 175.02 173.76 1ti6 n GLY 747 N 6.06 2.18 3.81 -0.03 0.00 -1.26 -2.32 105.19 113.63 1ti6 n GLY 747 Ca 0.41 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1ti6 n GLY 747 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ti6 s ASP 748 N 0.00 5.61 0.94 1.61 2.15 -1.19 -4.65 116.67 121.14 1ti6 s ASP 748 Ca 0.00 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.68 1ti6 s ASP 748 Cb 0.00 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1ti6 s ASP 748 CO 0.00 -1.28 0.00 0.61 -0.17 0.00 0.00 175.17 174.33 1ti6 n GLY 749 N -1.55 1.24 2.33 2.66 0.00 -1.26 -4.73 105.19 103.88 1ti6 n GLY 749 Ca 0.08 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1ti6 n GLY 749 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ti6 n LYS 750 N 2.05 -1.55 -3.08 1.61 5.02 -1.26 -1.09 118.16 119.85 1ti6 n LYS 750 Ca 0.00 0.70 -0.22 0.00 -2.02 0.00 0.00 58.31 56.77 1ti6 n LYS 750 Cb 0.00 -4.85 0.02 0.00 -0.02 0.00 0.00 35.03 30.18 1ti6 n LYS 750 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ti6 n ASN 751 N -0.39 -5.16 -4.88 4.39 5.15 -1.26 -4.43 115.26 108.67 1ti6 n ASN 751 Ca -0.10 -0.28 -0.29 0.00 -0.60 0.00 0.00 54.58 53.30 1ti6 n ASN 751 Cb 0.44 -4.21 0.08 0.00 -0.53 0.00 0.00 39.78 35.56 1ti6 n ASN 751 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ti6 s SER 752 N -2.65 4.78 0.37 1.20 1.04 -0.25 -4.93 113.70 113.26 1ti6 s SER 752 Ca 0.31 0.96 0.12 0.00 0.48 0.00 0.00 55.95 57.83 1ti6 s SER 752 Cb -0.15 -1.60 0.72 0.00 0.10 0.00 0.00 66.02 65.10 1ti6 s SER 752 CO 0.38 -1.75 1.83 1.88 0.98 0.00 0.00 173.24 176.56 1ti6 h TYR 753 N -0.94 0.02 -0.06 5.02 0.05 -1.88 -2.88 116.97 116.29 1ti6 h TYR 753 Ca -0.46 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.33 1ti6 h TYR 753 Cb 1.30 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.03 1ti6 h TYR 753 CO 0.39 0.37 0.11 0.52 -1.05 0.00 0.00 178.16 178.50 1ti6 h MET 754 N 0.01 0.00 0.00 4.88 2.86 -1.88 -1.38 114.93 119.42 1ti6 h MET 754 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ti6 h MET 754 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1ti6 h MET 754 CO 0.05 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.11 1ti6 n ASN 755 N -3.46 0.63 -0.58 1.22 3.02 -1.09 -1.82 115.26 113.17 1ti6 n ASN 755 Ca -0.01 0.67 0.13 0.00 -0.03 0.00 0.00 54.58 55.34 1ti6 n ASN 755 Cb 0.20 -0.80 0.37 0.00 -0.61 0.00 0.00 39.78 38.93 1ti6 n ASN 755 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ti6 n TYR 756 N -2.21 0.00 -2.24 3.10 4.02 -0.52 -4.44 117.16 114.86 1ti6 n TYR 756 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1ti6 n TYR 756 Cb 0.20 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.48 1ti6 n TYR 756 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ti6 s ILE 757 N -2.09 3.80 0.28 -0.72 1.01 -0.76 -4.91 121.20 117.81 1ti6 s ILE 757 Ca 0.33 1.14 -0.01 0.00 0.00 0.00 0.00 60.65 62.11 1ti6 s ILE 757 Cb 0.20 -3.73 0.31 0.00 0.01 0.00 0.00 42.46 39.25 1ti6 s ILE 757 CO 0.36 -0.02 1.64 0.11 0.00 0.00 0.00 174.94 177.03 1ti6 h LYS 758 N 8.00 0.16 -0.73 2.79 1.57 -1.89 -0.96 116.57 125.51 1ti6 h LYS 758 Ca -0.37 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1ti6 h LYS 758 Cb 1.17 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1ti6 h LYS 758 CO 0.91 0.11 0.05 -3.47 -0.57 0.00 0.00 179.45 176.48 1ti6 n ASP 759 N -5.28 4.40 -0.05 0.86 2.03 -1.26 -4.32 116.55 112.94 1ti6 n ASP 759 Ca 0.19 -2.74 -0.09 0.00 0.52 0.00 0.00 54.79 52.66 1ti6 n ASP 759 Cb 0.62 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 40.34 1ti6 n ASP 759 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ti6 n HIS 760 N 0.33 0.00 -3.99 -0.67 -0.00 -0.37 -4.98 115.22 105.54 1ti6 n HIS 760 Ca 0.23 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.33 1ti6 n HIS 760 Cb 1.00 -0.38 -0.10 0.00 -0.12 0.00 0.00 29.99 30.39 1ti6 n HIS 760 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1ti6 s ARG 761 N -2.43 0.52 -0.16 1.57 0.52 -1.19 -4.04 118.95 113.75 1ti6 s ARG 761 Ca -0.18 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.19 1ti6 s ARG 761 Cb 0.04 0.19 0.01 0.00 0.52 0.00 0.00 34.95 35.72 1ti6 s ARG 761 CO 0.25 -0.11 -0.21 0.08 0.02 0.00 0.00 175.30 175.33 1ti6 s VAL 762 N -2.69 2.05 -0.02 3.52 1.01 0.10 -4.64 120.40 119.72 1ti6 s VAL 762 Ca -0.04 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 1ti6 s VAL 762 Cb -0.01 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1ti6 s VAL 762 CO -0.05 0.54 0.99 -0.70 0.00 0.00 0.00 175.10 175.89 1ti6 s GLU 763 N 1.04 4.52 -0.14 2.72 2.12 -1.26 -0.41 118.70 127.29 1ti6 s GLU 763 Ca -0.01 1.42 -0.02 0.00 0.36 0.00 0.00 54.97 56.72 1ti6 s GLU 763 Cb -0.14 -3.48 0.05 0.00 0.26 0.00 0.00 34.13 30.81 1ti6 s GLU 763 CO -0.07 -0.12 0.03 0.08 -0.54 0.00 0.00 175.26 174.63 1ti6 s VAL 764 N 1.27 0.39 -1.35 3.70 1.01 0.13 -4.86 120.40 120.70 1ti6 s VAL 764 Ca 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1ti6 s VAL 764 Cb -0.21 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1ti6 s VAL 764 CO 0.25 -0.02 0.67 0.47 0.00 0.00 0.00 175.10 176.47 1ti6 n ASP 765 N 5.12 -1.27 0.00 3.32 8.00 -1.26 -2.11 116.55 128.34 1ti6 n ASP 765 Ca -0.08 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1ti6 n ASP 765 Cb 0.49 -3.84 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 1ti6 n ASP 765 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ti6 n GLY 766 N -1.66 2.36 3.40 0.44 0.00 -1.26 -5.02 105.19 103.44 1ti6 n GLY 766 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1ti6 n GLY 766 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ti6 s TYR 767 N -2.80 2.70 -0.46 1.61 5.04 -0.90 -5.09 117.35 117.46 1ti6 s TYR 767 Ca 0.00 -0.46 -0.20 0.00 -2.44 0.00 0.00 57.07 53.97 1ti6 s TYR 767 Cb 0.00 -1.71 0.03 0.00 0.35 0.00 0.00 41.96 40.63 1ti6 s TYR 767 CO 0.00 -0.05 0.63 0.15 -1.34 0.00 0.00 175.55 174.94 1ti6 s LYS 768 N -0.20 3.22 0.18 4.97 1.02 -1.26 0.22 119.74 127.89 1ti6 s LYS 768 Ca -0.00 -0.55 -0.09 0.00 0.02 0.00 0.00 55.97 55.34 1ti6 s LYS 768 Cb -0.13 -4.00 -0.07 0.00 -0.52 0.00 0.00 37.83 33.11 1ti6 s LYS 768 CO 0.03 -1.07 0.49 0.71 -0.92 0.00 0.00 175.35 174.60 1ti6 s TYR 769 N 2.75 3.48 0.62 3.18 1.51 0.45 -4.77 117.35 124.56 1ti6 s TYR 769 Ca 0.20 0.83 -0.17 0.00 -1.01 0.00 0.00 57.07 56.92 1ti6 s TYR 769 Cb -0.16 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1ti6 s TYR 769 CO 0.16 0.36 1.13 -0.46 -1.11 0.00 0.00 175.55 175.63 1ti6 s TRP 770 N -1.68 2.59 -0.08 2.71 -0.11 -1.26 -0.72 118.94 120.39 1ti6 s TRP 770 Ca 0.43 1.55 -0.05 0.00 1.22 0.00 0.00 56.10 59.25 1ti6 s TRP 770 Cb -0.12 -3.24 -0.04 0.00 -1.50 0.00 0.00 33.47 28.57 1ti6 s TRP 770 CO 0.21 -1.73 0.14 0.42 -4.62 0.00 0.00 176.95 171.38 1ti6 s ILE 771 N -2.09 5.38 -0.09 5.86 1.01 -1.26 -0.67 121.20 129.34 1ti6 s ILE 771 Ca 0.70 0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.40 1ti6 s ILE 771 Cb -0.23 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1ti6 s ILE 771 CO 0.36 0.51 -0.12 -0.32 0.00 0.00 0.00 174.94 175.38 1ti6 s MET 772 N -1.34 1.85 -0.09 2.79 -2.45 -0.74 -4.40 119.30 114.93 1ti6 s MET 772 Ca 0.19 -0.43 -0.18 0.00 -1.25 0.00 0.00 55.69 54.02 1ti6 s MET 772 Cb -0.12 -1.62 -0.05 0.00 1.25 0.00 0.00 34.83 34.29 1ti6 s MET 772 CO 0.09 -0.07 0.47 1.03 1.05 0.00 0.00 175.02 177.59 1ti6 s ARG 773 N 1.02 4.28 -0.01 4.11 0.52 0.27 -1.33 118.95 127.81 1ti6 s ARG 773 Ca -0.07 0.46 0.03 0.00 -0.52 0.00 0.00 55.73 55.63 1ti6 s ARG 773 Cb -0.15 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1ti6 s ARG 773 CO -0.01 0.26 -0.10 0.08 0.02 0.00 0.00 175.30 175.55 1ti6 s VAL 774 N 0.29 0.82 0.33 3.52 1.01 -0.36 -1.56 120.40 124.45 1ti6 s VAL 774 Ca 0.26 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 1ti6 s VAL 774 Cb -0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 36.38 35.44 1ti6 s VAL 774 CO 0.11 0.23 1.24 0.21 0.00 0.00 0.00 175.10 176.90 1ti6 s ASN 775 N -0.19 6.83 0.31 3.32 3.84 -1.26 -0.43 114.94 127.37 1ti6 s ASN 775 Ca 0.03 2.55 0.09 0.00 0.21 0.00 0.00 52.86 55.74 1ti6 s ASN 775 Cb -0.05 -2.64 0.88 0.00 -0.55 0.00 0.00 41.25 38.89 1ti6 s ASN 775 CO -0.00 -0.48 1.71 0.77 -2.79 0.00 0.00 177.10 176.31 1ti6 h SER 776 N 3.36 0.54 -0.55 -4.21 4.64 -1.77 -0.43 113.55 115.13 1ti6 h SER 776 Ca -0.48 0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 1ti6 h SER 776 Cb 1.22 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 1ti6 h SER 776 CO 0.65 0.02 0.25 0.40 -0.87 0.00 0.00 176.83 177.29 1ti6 h ILE 777 N 0.48 1.21 -0.22 0.95 2.04 -1.91 0.13 117.51 120.19 1ti6 h ILE 777 Ca 0.64 -0.60 -0.17 0.00 1.00 0.00 0.00 64.86 65.73 1ti6 h ILE 777 Cb 1.26 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1ti6 h ILE 777 CO -0.52 0.24 -0.55 0.44 0.00 0.00 0.00 178.15 177.75 1ti6 h ASP 778 N 0.74 0.73 -0.04 1.72 3.32 -1.55 -2.39 116.42 118.95 1ti6 h ASP 778 Ca 0.19 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1ti6 h ASP 778 Cb 0.14 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1ti6 h ASP 778 CO -0.02 1.14 0.01 0.00 -1.72 0.00 0.00 179.24 178.64 1ti6 h ALA 779 N 0.88 0.06 -0.76 3.45 0.00 -0.95 -3.02 119.26 118.92 1ti6 h ALA 779 Ca 0.01 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1ti6 h ALA 779 Cb 1.12 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1ti6 h ALA 779 CO 0.11 -0.31 0.39 1.49 0.00 0.00 0.00 179.25 180.93 1ti6 h GLU 780 N -0.17 0.62 0.00 0.00 4.22 -0.73 0.16 114.58 118.69 1ti6 h GLU 780 Ca 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1ti6 h GLU 780 Cb 0.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ti6 h GLU 780 CO 0.00 0.41 0.00 0.00 -2.18 0.00 0.00 179.01 177.24 1ti6 h ALA 781 N 1.46 1.00 -0.20 2.92 0.00 -1.31 -2.33 119.26 120.80 1ti6 h ALA 781 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1ti6 h ALA 781 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ti6 h ALA 781 CO -0.29 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.50 1ti6 n ARG 782 N -2.72 2.36 -1.93 0.00 1.74 -0.13 -4.97 116.66 111.00 1ti6 n ARG 782 Ca -0.01 -1.71 -0.14 0.00 -0.77 0.00 0.00 57.85 55.22 1ti6 n ARG 782 Cb 0.14 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 1ti6 n ARG 782 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ti6 n GLY 783 N 0.27 0.43 3.69 -0.13 0.00 -0.63 -4.61 105.19 104.21 1ti6 n GLY 783 Ca 0.08 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1ti6 n GLY 783 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ti6 s ILE 784 N -2.62 5.26 0.28 -0.61 1.01 -0.19 -4.98 121.20 119.36 1ti6 s ILE 784 Ca 0.00 0.58 0.09 0.00 0.00 0.00 0.00 60.65 61.32 1ti6 s ILE 784 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1ti6 s ILE 784 CO 0.00 0.32 0.03 -0.54 0.00 0.00 0.00 174.94 174.75 1ti6 s LYS 785 N 0.94 2.35 0.08 2.79 1.02 -1.26 -4.22 119.74 121.44 1ti6 s LYS 785 Ca 0.17 -1.42 -0.35 0.00 0.02 0.00 0.00 55.97 54.39 1ti6 s LYS 785 Cb -0.14 -2.19 -0.15 0.00 -0.52 0.00 0.00 37.83 34.84 1ti6 s LYS 785 CO 0.06 0.33 1.54 -1.71 -0.92 0.00 0.00 175.35 174.65 1ti6 n ASN 786 N -0.95 2.62 0.00 2.83 4.05 -1.26 -1.24 115.26 121.30 1ti6 n ASN 786 Ca -0.06 1.08 0.00 0.00 0.45 0.00 0.00 54.58 56.05 1ti6 n ASN 786 Cb 0.59 -1.33 0.00 0.00 1.23 0.00 0.00 39.78 40.28 1ti6 n ASN 786 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ti6 n GLY 787 N 3.28 1.78 3.75 8.20 0.00 0.82 -5.00 105.19 118.02 1ti6 n GLY 787 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1ti6 n GLY 787 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ti6 s ASP 788 N -2.27 5.11 -0.13 1.61 1.01 -0.38 -4.53 116.67 117.09 1ti6 s ASP 788 Ca 0.00 2.40 -0.22 0.00 0.71 0.00 0.00 52.55 55.44 1ti6 s ASP 788 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1ti6 s ASP 788 CO 0.00 -1.65 0.68 -0.76 0.21 0.00 0.00 175.17 173.65 1ti6 s LEU 789 N -4.14 4.23 0.31 1.23 1.43 -1.26 -0.39 118.68 120.09 1ti6 s LEU 789 Ca 0.78 1.03 0.07 0.00 -1.03 0.00 0.00 54.13 54.98 1ti6 s LEU 789 Cb -0.31 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 42.84 1ti6 s LEU 789 CO 0.34 -0.21 -0.06 0.27 0.23 0.00 0.00 176.35 176.92 1ti6 s ILE 790 N 1.38 1.83 -0.22 -0.59 -4.36 0.11 -1.37 121.20 117.98 1ti6 s ILE 790 Ca 0.34 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1ti6 s ILE 790 Cb -0.17 -2.55 0.03 0.00 1.25 0.00 0.00 42.46 41.02 1ti6 s ILE 790 CO 0.14 -0.24 -0.12 -0.60 0.24 0.00 0.00 174.94 174.35 1ti6 s ARG 791 N -3.70 2.81 -0.17 0.37 3.52 0.79 -1.06 118.95 121.53 1ti6 s ARG 791 Ca 0.31 -0.97 -0.10 0.00 -0.13 0.00 0.00 55.73 54.83 1ti6 s ARG 791 Cb 0.04 -2.82 -0.05 0.00 -1.56 0.00 0.00 34.95 30.56 1ti6 s ARG 791 CO 0.14 -0.35 0.18 0.00 -0.81 0.00 0.00 175.30 174.45 1ti6 s ALA 792 N 1.28 3.71 0.20 6.12 0.00 -0.15 -2.24 121.76 130.69 1ti6 s ALA 792 Ca 0.01 -0.61 -0.19 0.00 0.00 0.00 0.00 51.96 51.16 1ti6 s ALA 792 Cb -0.16 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.82 1ti6 s ALA 792 CO -0.08 0.27 0.57 1.52 0.00 0.00 0.00 175.76 178.04 1ti6 s TYR 793 N 0.00 -0.21 0.00 0.00 -0.85 -0.39 -1.24 117.35 114.67 1ti6 s TYR 793 Ca 0.12 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 1ti6 s TYR 793 Cb -0.12 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.69 1ti6 s TYR 793 CO 0.01 -0.95 0.00 0.27 -1.52 0.00 0.00 175.55 173.36 1ti6 n ASN 794 N -0.37 0.00 0.32 -0.18 0.23 -1.04 -1.66 115.26 112.57 1ti6 n ASN 794 Ca -0.10 -0.40 0.21 0.00 -0.53 0.00 0.00 54.58 53.75 1ti6 n ASN 794 Cb 0.62 0.00 1.04 0.00 -2.08 0.00 0.00 39.78 39.36 1ti6 n ASN 794 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ti6 h ASP 795 N 0.00 0.00 1.38 0.53 3.32 -1.95 -3.08 116.42 116.62 1ti6 h ASP 795 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ti6 h ASP 795 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ti6 h ASP 795 CO 0.00 0.01 -0.62 0.03 -1.72 0.00 0.00 179.24 176.94 1ti6 h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.90 -3.50 114.38 115.62 1ti6 h ARG 796 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ti6 h ARG 796 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1ti6 h ARG 796 CO 0.00 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1ti6 n GLY 797 N 1.16 -1.22 2.98 0.04 0.00 -1.17 -4.79 105.19 102.19 1ti6 n GLY 797 Ca 0.01 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 1ti6 n GLY 797 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ti6 s SER 798 N -4.00 0.57 -0.02 1.61 0.01 -1.26 -2.48 113.70 108.12 1ti6 s SER 798 Ca 0.00 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.01 1ti6 s SER 798 Cb 0.00 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.23 1ti6 s SER 798 CO 0.00 -0.06 -0.02 -0.69 0.41 0.00 0.00 173.24 172.88 1ti6 s VAL 799 N -0.63 0.24 -0.19 3.43 1.01 -0.37 -1.35 120.40 122.54 1ti6 s VAL 799 Ca -0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1ti6 s VAL 799 Cb -0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1ti6 s VAL 799 CO -0.00 0.11 0.22 -0.63 0.00 0.00 0.00 175.10 174.80 1ti6 s ILE 800 N 0.47 5.35 0.12 2.22 1.09 0.12 -0.97 121.20 129.59 1ti6 s ILE 800 Ca -0.05 0.36 -0.01 0.00 -1.10 0.00 0.00 60.65 59.86 1ti6 s ILE 800 Cb -0.08 -3.55 -0.04 0.00 -1.06 0.00 0.00 42.46 37.73 1ti6 s ILE 800 CO -0.01 0.39 0.04 -0.76 -0.10 0.00 0.00 174.94 174.50 1ti6 s LEU 801 N 0.58 1.93 -0.14 2.97 1.43 -0.22 -4.53 118.68 120.69 1ti6 s LEU 801 Ca 0.12 -1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 51.90 1ti6 s LEU 801 Cb -0.12 0.23 -0.05 0.00 0.03 0.00 0.00 46.19 46.28 1ti6 s LEU 801 CO 0.02 -0.69 0.32 0.00 0.23 0.00 0.00 176.35 176.23 1ti6 s ALA 802 N -3.98 3.59 0.12 4.21 0.00 0.15 0.04 121.76 125.90 1ti6 s ALA 802 Ca 0.21 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 1ti6 s ALA 802 Cb 0.07 -2.41 -0.07 0.00 0.00 0.00 0.00 23.12 20.71 1ti6 s ALA 802 CO 0.00 0.12 0.77 0.00 0.00 0.00 0.00 175.76 176.65 1ti6 s ALA 803 N 0.36 3.42 -0.27 0.00 0.00 0.48 -1.78 121.76 123.96 1ti6 s ALA 803 Ca 0.18 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1ti6 s ALA 803 Cb -0.13 -2.97 0.07 0.00 0.00 0.00 0.00 23.12 20.08 1ti6 s ALA 803 CO 0.05 0.21 -0.06 -1.14 0.00 0.00 0.00 175.76 174.83 1ti6 s GLN 804 N -0.76 1.90 0.01 0.00 0.74 -0.44 -0.13 119.66 120.98 1ti6 s GLN 804 Ca 0.37 -1.39 -0.30 0.00 0.05 0.00 0.00 55.36 54.09 1ti6 s GLN 804 Cb -0.22 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 30.98 1ti6 s GLN 804 CO 0.25 -0.67 1.04 0.08 -0.55 0.00 0.00 175.29 175.44 1ti6 s VAL 805 N 1.13 4.64 0.26 1.34 1.01 -1.26 -1.22 120.40 126.30 1ti6 s VAL 805 Ca -0.03 1.90 -0.05 0.00 0.00 0.00 0.00 61.98 63.80 1ti6 s VAL 805 Cb -0.19 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1ti6 s VAL 805 CO -0.07 0.14 0.34 0.28 0.00 0.00 0.00 175.10 175.79 1ti6 s THR 806 N 1.08 0.00 -1.02 3.92 -1.32 0.43 -4.91 115.64 113.82 1ti6 s THR 806 Ca 0.54 -1.71 0.11 0.00 -1.21 0.00 0.00 61.69 59.42 1ti6 s THR 806 Cb -0.23 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 1ti6 s THR 806 CO 0.28 0.00 0.67 -0.62 -2.21 0.00 0.00 174.62 172.74 1ti6 n GLU 807 N -0.40 1.95 0.00 7.08 -0.58 -1.26 -2.08 120.64 125.34 1ti6 n GLU 807 Ca 0.01 -0.66 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 1ti6 n GLU 807 Cb 0.63 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 1ti6 n GLU 807 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ti6 s LEU 809 N 0.00 0.14 0.36 0.00 1.43 -1.26 -1.65 118.68 117.71 1ti6 s LEU 809 Ca 0.00 0.86 -0.27 0.00 -1.03 0.00 0.00 54.13 53.69 1ti6 s LEU 809 Cb 0.00 1.71 -0.09 0.00 0.03 0.00 0.00 46.19 47.84 1ti6 s LEU 809 CO 0.00 -0.24 1.21 -1.58 0.23 0.00 0.00 176.35 175.97 1ti6 s GLN 810 N -0.05 4.21 0.29 1.70 0.74 -1.26 -4.76 119.66 120.54 1ti6 s GLN 810 Ca -0.03 1.98 -0.29 0.00 0.05 0.00 0.00 55.36 57.07 1ti6 s GLN 810 Cb -0.03 -2.87 -0.13 0.00 1.10 0.00 0.00 33.01 31.07 1ti6 s GLN 810 CO 0.02 -0.22 1.24 -2.30 -0.55 0.00 0.00 175.29 173.47 1ti6 n PRO 811 N 0.45 1.83 0.00 1.67 -0.02 -1.26 -1.74 135.00 135.93 1ti6 n PRO 811 Ca 0.02 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1ti6 n PRO 811 Cb 0.45 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1ti6 n PRO 811 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 812 N 1.34 0.80 3.47 -1.23 0.00 -1.26 -5.06 105.19 103.24 1ti6 n GLY 812 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1ti6 n GLY 812 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s THR 813 N -2.18 3.35 0.21 2.61 2.01 -0.71 -1.18 115.64 119.75 1ti6 s THR 813 Ca 0.00 -0.58 0.10 0.00 0.31 0.00 0.00 61.69 61.52 1ti6 s THR 813 Cb 0.00 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1ti6 s THR 813 CO 0.00 0.55 -0.21 0.68 -0.69 0.00 0.00 174.62 174.96 1ti6 s VAL 814 N -0.21 2.17 -0.01 3.82 -7.23 0.40 -4.28 120.40 115.07 1ti6 s VAL 814 Ca 0.02 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1ti6 s VAL 814 Cb -0.13 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.75 1ti6 s VAL 814 CO 0.03 -0.28 0.01 -2.28 -0.31 0.00 0.00 175.10 172.27 1ti6 s HIS 815 N -2.08 0.07 -0.20 2.82 5.04 -0.60 -2.52 115.29 117.82 1ti6 s HIS 815 Ca 0.21 0.06 -0.09 0.00 -1.54 0.00 0.00 55.06 53.70 1ti6 s HIS 815 Cb -0.06 -0.18 0.08 0.00 0.04 0.00 0.00 32.58 32.46 1ti6 s HIS 815 CO 0.10 -0.06 0.46 0.45 -2.34 0.00 0.00 174.74 173.35 1ti6 s SER 816 N 0.64 -0.49 0.66 9.88 0.15 -1.15 0.96 113.70 124.35 1ti6 s SER 816 Ca -0.05 1.04 -0.17 0.00 0.70 0.00 0.00 55.95 57.46 1ti6 s SER 816 Cb -0.08 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 1ti6 s SER 816 CO -0.02 -0.22 1.24 -0.31 1.20 0.00 0.00 173.24 175.14 1ti6 s TYR 817 N 1.99 2.14 0.09 3.44 4.12 -1.26 -4.06 117.35 123.82 1ti6 s TYR 817 Ca -0.06 1.53 -0.00 0.00 0.02 0.00 0.00 57.07 58.56 1ti6 s TYR 817 Cb -0.10 -3.57 0.02 0.00 -1.52 0.00 0.00 41.96 36.79 1ti6 s TYR 817 CO -0.14 -2.65 0.13 -0.85 0.02 0.00 0.00 175.55 172.06 1ti6 n GLU 818 N -2.10 0.53 -1.30 -0.62 -0.00 -0.30 -4.71 120.64 112.13 1ti6 n GLU 818 Ca 0.15 -0.35 -0.07 0.00 -0.00 0.00 0.00 57.16 56.89 1ti6 n GLU 818 Cb 0.49 -0.08 -0.03 0.00 -0.00 0.00 0.00 31.44 31.82 1ti6 n GLU 818 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1ti6 n SER 819 N -2.99 -3.78 -4.70 -1.84 7.64 -0.84 -4.12 113.62 103.00 1ti6 n SER 819 Ca 0.02 0.16 -0.43 0.00 1.01 0.00 0.00 58.87 59.63 1ti6 n SER 819 Cb 0.08 -2.04 -0.01 0.00 -1.01 0.00 0.00 64.21 61.22 1ti6 n SER 819 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ti6 n ALA 821 N 1.17 2.79 -2.61 0.00 0.00 -1.26 -4.32 120.51 116.28 1ti6 n ALA 821 Ca 0.08 -0.29 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 1ti6 n ALA 821 Cb 0.34 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 1ti6 n ALA 821 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ti6 s VAL 822 N -3.30 5.28 -0.33 0.00 1.01 -1.26 -2.67 120.40 119.12 1ti6 s VAL 822 Ca 0.01 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 1ti6 s VAL 822 Cb 0.12 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1ti6 s VAL 822 CO 0.79 0.24 0.09 -0.47 0.00 0.00 0.00 175.10 175.75 1ti6 s TYR 823 N 1.73 3.24 -0.48 5.22 5.04 -1.26 -4.04 117.35 126.80 1ti6 s TYR 823 Ca 0.10 -1.42 0.04 0.00 -2.44 0.00 0.00 57.07 53.35 1ti6 s TYR 823 Cb -0.16 -2.26 0.17 0.00 0.35 0.00 0.00 41.96 40.07 1ti6 s TYR 823 CO 0.10 -0.72 0.37 0.34 -1.34 0.00 0.00 175.55 174.29 1ti6 s ASP 824 N 1.40 2.46 0.26 4.32 2.15 -1.26 -4.78 116.67 121.22 1ti6 s ASP 824 Ca -0.02 -3.20 -0.30 0.00 0.43 0.00 0.00 52.55 49.46 1ti6 s ASP 824 Cb -0.19 -0.77 -0.10 0.00 -0.30 0.00 0.00 42.92 41.56 1ti6 s ASP 824 CO 0.02 -0.16 1.48 -2.84 -0.17 0.00 0.00 175.17 173.50 1ti6 s PRO 825 N -0.26 4.23 0.14 4.34 0.02 -1.26 -1.95 135.00 140.25 1ti6 s PRO 825 Ca 0.29 2.37 0.27 0.00 0.02 0.00 0.00 61.00 63.96 1ti6 s PRO 825 Cb -0.01 -3.09 0.96 0.00 0.02 0.00 0.00 34.50 32.38 1ti6 s PRO 825 CO -0.17 -0.48 1.83 1.28 -0.33 0.00 0.00 177.00 179.13 1ti6 n LEU 826 N 2.30 0.52 0.00 -5.54 4.77 -0.15 -4.69 117.00 114.22 1ti6 n LEU 826 Ca 0.07 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1ti6 n LEU 826 Cb 0.39 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ti6 n LEU 826 CO 0.61 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1ti6 n GLY 827 N 1.33 5.59 3.76 -0.72 0.00 -1.26 -4.92 105.19 108.97 1ti6 n GLY 827 Ca 0.06 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1ti6 n GLY 827 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s THR 828 N 1.73 2.45 0.29 2.61 2.01 -1.26 -4.35 115.64 119.13 1ti6 s THR 828 Ca 0.00 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1ti6 s THR 828 Cb 0.00 -3.27 -0.12 0.00 0.01 0.00 0.00 72.50 69.12 1ti6 s THR 828 CO 0.00 0.09 1.56 0.00 -0.69 0.00 0.00 174.62 175.58 1ti6 n ALA 829 N 1.35 2.32 -0.56 7.40 0.00 -1.26 -1.83 120.51 127.93 1ti6 n ALA 829 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1ti6 n ALA 829 Cb 0.40 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.42 1ti6 n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 830 N 2.10 1.20 0.00 0.00 0.00 -1.26 -4.74 105.19 102.48 1ti6 n GLY 830 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ti6 n GLY 830 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ti6 n LYS 831 N -2.00 -0.08 -4.33 1.61 5.02 -0.76 -4.82 118.16 112.79 1ti6 n LYS 831 Ca 0.00 -0.48 -0.18 0.00 -2.02 0.00 0.00 58.31 55.63 1ti6 n LYS 831 Cb 0.00 -0.80 -0.10 0.00 -0.02 0.00 0.00 35.03 34.11 1ti6 n LYS 831 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ti6 s SER 832 N -0.13 1.43 0.39 4.39 1.04 -1.00 -2.10 113.70 117.72 1ti6 s SER 832 Ca 0.00 -1.49 -0.27 0.00 0.48 0.00 0.00 55.95 54.67 1ti6 s SER 832 Cb 0.00 0.30 -0.10 0.00 0.10 0.00 0.00 66.02 66.32 1ti6 s SER 832 CO 0.00 -0.82 1.38 0.00 0.98 0.00 0.00 173.24 174.78 1ti6 s ALA 833 N -3.66 3.39 -0.07 5.32 0.00 -0.31 -4.69 121.76 121.75 1ti6 s ALA 833 Ca 0.36 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.67 1ti6 s ALA 833 Cb 0.06 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1ti6 s ALA 833 CO 0.16 -0.93 0.08 0.34 0.00 0.00 0.00 175.76 175.41 1ti6 s ASP 834 N -0.48 5.79 0.00 0.00 2.15 -0.46 -0.97 116.67 122.70 1ti6 s ASP 834 Ca 0.55 0.26 0.04 0.00 0.43 0.00 0.00 52.55 53.82 1ti6 s ASP 834 Cb -0.42 -1.73 0.05 0.00 -0.30 0.00 0.00 42.92 40.51 1ti6 s ASP 834 CO 0.55 0.35 0.72 -2.11 -0.17 0.00 0.00 175.17 174.51 1ti6 n ARG 835 N 1.73 0.23 -0.03 4.34 1.85 -0.82 0.10 116.66 124.06 1ti6 n ARG 835 Ca -0.17 -0.93 -0.09 0.00 -1.00 0.00 0.00 57.85 55.67 1ti6 n ARG 835 Cb 0.54 -1.08 0.07 0.00 -1.05 0.00 0.00 32.46 30.94 1ti6 n ARG 835 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1ti6 h GLY 836 N 0.76 0.71 0.00 2.89 0.00 -1.75 -3.42 103.07 102.25 1ti6 h GLY 836 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1ti6 h GLY 836 CO 0.00 0.65 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1ti6 n GLY 837 N 0.04 1.92 3.58 4.60 0.00 -1.26 -4.35 105.19 109.72 1ti6 n GLY 837 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1ti6 n GLY 837 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 h ILE 839 N 5.85 0.85 0.00 0.00 1.08 -1.88 -1.90 117.51 121.50 1ti6 h ILE 839 Ca 0.38 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.85 1ti6 h ILE 839 Cb 0.90 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1ti6 h ILE 839 CO 1.42 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 179.47 1ti6 n ASN 840 N -4.39 0.00 0.15 1.72 3.02 -1.26 -0.74 115.26 113.76 1ti6 n ASN 840 Ca 0.01 -0.32 0.01 0.00 -0.03 0.00 0.00 54.58 54.25 1ti6 n ASN 840 Cb 0.28 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.67 1ti6 n ASN 840 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ti6 h ILE 841 N 0.00 1.32 0.00 2.41 2.04 -1.57 -1.33 117.51 120.38 1ti6 h ILE 841 Ca 0.00 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 63.97 1ti6 h ILE 841 Cb 0.00 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1ti6 h ILE 841 CO 0.00 0.53 -0.86 0.18 0.00 0.00 0.00 178.15 178.00 1ti6 n LEU 842 N -3.79 0.63 -4.81 1.44 4.77 0.08 -4.18 117.00 111.14 1ti6 n LEU 842 Ca -0.01 0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.64 1ti6 n LEU 842 Cb 0.57 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1ti6 n LEU 842 CO 0.41 0.05 0.69 0.42 -1.33 0.00 0.00 177.39 177.63 1ti6 s THR 843 N -3.15 4.04 0.26 -5.08 -4.23 -1.22 -4.81 115.64 101.45 1ti6 s THR 843 Ca 0.06 1.22 -0.30 0.00 -1.18 0.00 0.00 61.69 61.49 1ti6 s THR 843 Cb 0.15 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.38 1ti6 s THR 843 CO 0.77 -0.32 1.34 -2.16 -0.54 0.00 0.00 174.62 173.70 1ti6 s PRO 844 N -3.35 4.36 0.00 3.99 0.04 -1.26 -1.01 135.00 137.76 1ti6 s PRO 844 Ca 0.65 2.16 0.25 0.00 0.04 0.00 0.00 61.00 64.10 1ti6 s PRO 844 Cb -0.13 -3.13 0.45 0.00 0.04 0.00 0.00 34.50 31.73 1ti6 s PRO 844 CO 0.20 -0.26 1.39 -0.40 0.04 0.00 0.00 177.00 177.97 1ti6 n ASP 845 N 1.90 1.91 -4.75 6.66 3.85 -1.26 -4.52 116.55 120.35 1ti6 n ASP 845 Ca 0.04 -1.48 -0.41 0.00 -0.71 0.00 0.00 54.79 52.23 1ti6 n ASP 845 Cb 0.42 0.18 -0.02 0.00 -1.35 0.00 0.00 41.12 40.34 1ti6 n ASP 845 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1ti6 s ARG 846 N -2.27 4.27 0.61 0.11 3.52 -1.26 -4.96 118.95 118.98 1ti6 s ARG 846 Ca 0.26 2.30 -0.18 0.00 -0.13 0.00 0.00 55.73 57.98 1ti6 s ARG 846 Cb 0.19 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1ti6 s ARG 846 CO 0.44 -0.40 1.23 0.71 -0.81 0.00 0.00 175.30 176.48 1ti6 s TYR 847 N -0.18 2.29 0.26 5.12 4.12 -1.26 -4.42 117.35 123.29 1ti6 s TYR 847 Ca 0.58 1.51 -0.04 0.00 0.02 0.00 0.00 57.07 59.14 1ti6 s TYR 847 Cb -0.42 -3.54 0.52 0.00 -1.52 0.00 0.00 41.96 37.00 1ti6 s TYR 847 CO 0.45 -2.43 1.64 0.82 0.02 0.00 0.00 175.55 176.05 1ti6 h ILE 848 N 0.75 0.32 -4.51 2.71 2.04 -1.28 -3.43 117.51 114.11 1ti6 h ILE 848 Ca -0.50 -0.04 -0.29 0.00 1.00 0.00 0.00 64.86 65.02 1ti6 h ILE 848 Cb 1.31 0.18 -0.13 0.00 -0.74 0.00 0.00 36.82 37.44 1ti6 h ILE 848 CO 0.54 0.02 -0.47 -0.94 0.00 0.00 0.00 178.15 177.31 1ti6 s SER 849 N -5.16 0.66 0.34 1.72 1.04 -1.09 -4.96 113.70 106.25 1ti6 s SER 849 Ca -0.13 -1.46 0.07 0.00 0.48 0.00 0.00 55.95 54.91 1ti6 s SER 849 Cb 0.24 0.49 0.75 0.00 0.10 0.00 0.00 66.02 67.60 1ti6 s SER 849 CO 0.76 -1.00 1.88 0.50 0.98 0.00 0.00 173.24 176.36 1ti6 h LYS 850 N 2.37 0.74 0.00 4.02 3.64 -1.93 -3.05 116.57 122.37 1ti6 h LYS 850 Ca -0.31 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1ti6 h LYS 850 Cb 1.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1ti6 h LYS 850 CO 0.44 0.49 -0.73 0.66 -2.27 0.00 0.00 179.45 178.05 1ti6 n TYR 851 N -4.56 0.00 -2.73 1.91 4.01 -1.26 -4.80 117.16 109.73 1ti6 n TYR 851 Ca 0.17 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.48 1ti6 n TYR 851 Cb 0.41 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 1ti6 n TYR 851 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ti6 s ALA 852 N -2.02 3.02 -1.55 -0.72 0.00 -1.15 -4.63 121.76 114.70 1ti6 s ALA 852 Ca 0.01 -2.49 -0.10 0.00 0.00 0.00 0.00 51.96 49.38 1ti6 s ALA 852 Cb 0.06 -4.30 -0.04 0.00 0.00 0.00 0.00 23.12 18.84 1ti6 s ALA 852 CO 0.32 -3.32 2.77 0.00 0.00 0.00 0.00 175.76 175.53 1ti6 s GLY 854 N 1.95 2.15 0.27 0.00 0.00 -1.26 -4.90 107.32 105.53 1ti6 s GLY 854 Ca 0.64 -2.09 -0.27 0.00 0.00 0.00 0.00 44.72 43.00 1ti6 s GLY 854 CO -0.07 -1.95 0.91 -3.16 0.00 0.00 0.00 173.10 168.83 1ti6 s MET 855 N -3.74 4.66 -0.24 2.90 0.23 -1.26 -1.97 119.30 119.88 1ti6 s MET 855 Ca 0.33 1.33 0.10 0.00 -1.03 0.00 0.00 55.69 56.42 1ti6 s MET 855 Cb 0.06 -3.03 0.44 0.00 -1.53 0.00 0.00 34.83 30.77 1ti6 s MET 855 CO 0.15 0.41 1.21 0.00 -2.03 0.00 0.00 175.02 174.76 1ti6 n ALA 856 N 1.03 4.20 -0.30 3.16 0.00 -1.26 -4.00 120.51 123.33 1ti6 n ALA 856 Ca -0.01 -3.49 0.11 0.00 0.00 0.00 0.00 53.44 50.05 1ti6 n ALA 856 Cb 0.49 -0.34 0.28 0.00 0.00 0.00 0.00 19.45 19.88 1ti6 n ALA 856 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ti6 h ASN 857 N 1.48 0.41 0.00 0.00 4.21 -1.78 -3.14 115.58 116.77 1ti6 h ASN 857 Ca 0.15 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.79 1ti6 h ASN 857 Cb 1.22 0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 1ti6 h ASN 857 CO 0.31 0.08 0.00 0.59 -1.29 0.00 0.00 177.43 177.11 1ti6 n ASN 858 N -4.98 0.00 -3.81 5.81 3.02 -0.46 -4.07 115.26 110.78 1ti6 n ASN 858 Ca 0.20 -0.91 -0.30 0.00 -0.03 0.00 0.00 54.58 53.55 1ti6 n ASN 858 Cb 0.58 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.60 1ti6 n ASN 858 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ti6 s THR 859 N -2.00 1.12 -0.03 3.41 -4.23 -1.18 -4.34 115.64 108.39 1ti6 s THR 859 Ca 0.03 -1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1ti6 s THR 859 Cb 0.01 -1.73 0.03 0.00 1.34 0.00 0.00 72.50 72.15 1ti6 s THR 859 CO 0.02 -0.49 0.05 0.00 -0.54 0.00 0.00 174.62 173.66 1ti6 s ALA 860 N 1.52 -0.03 -0.12 3.99 0.00 -0.92 -4.62 121.76 121.58 1ti6 s ALA 860 Ca 0.05 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 1ti6 s ALA 860 Cb -0.18 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1ti6 s ALA 860 CO -0.17 -0.10 0.35 -0.51 0.00 0.00 0.00 175.76 175.34 1ti6 s LEU 861 N 0.87 4.30 0.29 0.00 1.43 -1.26 0.20 118.68 124.50 1ti6 s LEU 861 Ca -0.07 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 1ti6 s LEU 861 Cb -0.10 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 1ti6 s LEU 861 CO -0.03 0.12 0.30 0.68 0.23 0.00 0.00 176.35 177.65 1ti6 s VAL 862 N 0.19 0.00 0.05 -1.59 -7.23 -0.11 -4.78 120.40 106.94 1ti6 s VAL 862 Ca 0.20 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 1ti6 s VAL 862 Cb -0.14 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1ti6 s VAL 862 CO 0.07 0.00 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.07 1ti6 s GLU 863 N -3.62 0.61 0.09 4.82 2.56 -0.66 -1.40 118.70 121.10 1ti6 s GLU 863 Ca 0.36 -0.82 0.04 0.00 0.00 0.00 0.00 54.97 54.54 1ti6 s GLU 863 Cb 0.03 -0.43 -0.03 0.00 2.00 0.00 0.00 34.13 35.69 1ti6 s GLU 863 CO 0.19 0.08 -0.11 0.96 -0.56 0.00 0.00 175.26 175.83 1ti6 s ILE 864 N -1.41 0.93 0.15 -3.70 -4.36 -1.26 -1.26 121.20 110.29 1ti6 s ILE 864 Ca -0.07 -1.51 -0.20 0.00 -0.26 0.00 0.00 60.65 58.61 1ti6 s ILE 864 Cb -0.10 -1.22 0.05 0.00 1.25 0.00 0.00 42.46 42.45 1ti6 s ILE 864 CO 0.01 -0.47 0.51 -1.83 0.24 0.00 0.00 174.94 173.40 1ti6 s GLU 865 N -2.45 1.19 0.40 0.37 -1.05 -0.95 -4.97 118.70 111.24 1ti6 s GLU 865 Ca 0.02 -0.58 -0.27 0.00 -0.15 0.00 0.00 54.97 53.99 1ti6 s GLU 865 Cb -0.05 0.54 -0.10 0.00 -0.44 0.00 0.00 34.13 34.08 1ti6 s GLU 865 CO 0.01 -0.50 1.42 0.15 0.95 0.00 0.00 175.26 177.29 1ti6 s LYS 866 N -3.78 4.00 0.03 -4.83 1.02 -1.26 -0.15 119.74 114.78 1ti6 s LYS 866 Ca 0.02 2.43 -0.30 0.00 0.02 0.00 0.00 55.97 58.14 1ti6 s LYS 866 Cb 0.00 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 1ti6 s LYS 866 CO -0.12 -0.56 1.08 -0.46 -0.92 0.00 0.00 175.35 174.36 1ti6 s TRP 867 N -1.16 3.56 -1.81 3.18 -0.00 -0.47 -4.62 118.94 117.62 1ti6 s TRP 867 Ca 0.55 1.52 0.27 0.00 -0.00 0.00 0.00 56.10 58.45 1ti6 s TRP 867 Cb -0.44 -3.25 0.94 0.00 -0.00 0.00 0.00 33.47 30.72 1ti6 s TRP 867 CO 0.58 -0.58 1.68 -0.40 -0.00 0.00 0.00 176.95 178.23 1ti6 n ASP 868 N 3.86 0.90 0.00 5.86 5.68 -1.26 -4.94 116.55 126.66 1ti6 n ASP 868 Ca 0.07 -0.86 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 1ti6 n ASP 868 Cb 0.49 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1ti6 n ASP 868 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ti6 n GLY 869 N 1.30 0.17 3.77 6.12 0.00 -1.26 -5.08 105.19 110.21 1ti6 n GLY 869 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1ti6 n GLY 869 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ti6 s ASP 870 N -2.25 5.39 0.04 1.61 3.68 -1.26 -4.95 116.67 118.92 1ti6 s ASP 870 Ca 0.00 2.10 0.25 0.00 2.13 0.00 0.00 52.55 57.03 1ti6 s ASP 870 Cb 0.00 -2.57 0.57 0.00 -1.45 0.00 0.00 42.92 39.47 1ti6 s ASP 870 CO 0.00 -1.44 1.47 2.29 0.13 0.00 0.00 175.17 177.61 1ti6 n LYS 871 N -1.88 0.09 -3.91 4.34 2.85 -1.26 -4.96 118.16 113.44 1ti6 n LYS 871 Ca 0.11 0.03 -0.33 0.00 -1.05 0.00 0.00 58.31 57.07 1ti6 n LYS 871 Cb 0.51 -1.56 0.01 0.00 -0.65 0.00 0.00 35.03 33.34 1ti6 n LYS 871 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ti6 n TYR 872 N -1.69 -1.65 -2.63 5.58 4.02 -1.26 -1.16 117.16 118.36 1ti6 n TYR 872 Ca 0.05 0.47 -0.42 0.00 -0.01 0.00 0.00 57.90 57.99 1ti6 n TYR 872 Cb 0.37 -3.34 -0.01 0.00 -0.02 0.00 0.00 39.34 36.34 1ti6 n TYR 872 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1ti6 s GLU 873 N -6.60 3.84 -0.00 -0.72 2.12 -1.26 -3.59 118.70 112.48 1ti6 s GLU 873 Ca 0.29 -1.75 0.00 0.00 0.36 0.00 0.00 54.97 53.87 1ti6 s GLU 873 Cb -0.12 -5.39 0.01 0.00 0.26 0.00 0.00 34.13 28.88 1ti6 s GLU 873 CO 0.91 -2.16 0.65 0.44 -0.54 0.00 0.00 175.26 174.56 1ti6 n ILE 874 N 6.32 0.14 0.45 -3.70 -5.35 -0.90 -4.96 119.36 111.36 1ti6 n ILE 874 Ca 0.41 -0.15 0.05 0.00 -0.27 0.00 0.00 62.75 62.80 1ti6 n ILE 874 Cb 0.48 0.83 0.04 0.00 -1.74 0.00 0.00 39.64 39.25 1ti6 n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57