#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3in3 h PHE 61 N 0.00 0.00 -0.83 7.33 0.04 -1.99 -2.82 116.94 118.67 3in3 h PHE 61 Ca 0.00 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.89 3in3 h PHE 61 Cb 0.00 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 3in3 h PHE 61 CO 0.00 0.25 0.54 -0.39 -0.60 0.00 0.00 178.31 178.11 3in3 h VAL 62 N 0.00 0.88 0.00 -0.55 -1.51 -2.01 0.16 116.25 113.22 3in3 h VAL 62 Ca -0.00 -0.23 -0.02 0.00 -1.23 0.00 0.00 66.70 65.22 3in3 h VAL 62 Cb 0.64 0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 29.94 3in3 h VAL 62 CO 0.03 0.12 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.09 3in3 h GLU 63 N 0.68 0.00 0.00 5.19 4.39 -1.88 -3.01 114.58 119.95 3in3 h GLU 63 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 3in3 h GLU 63 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3in3 h GLU 63 CO -0.17 0.08 -0.82 -1.33 -1.16 0.00 0.00 179.01 175.61 3in3 n MET 64 N -3.26 0.29 -1.96 2.33 2.81 0.51 -4.76 117.12 113.07 3in3 n MET 64 Ca -0.00 0.04 -0.41 0.00 -1.81 0.00 0.00 57.70 55.51 3in3 n MET 64 Cb 0.30 -1.64 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 3in3 n MET 64 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3in3 s VAL 65 N -3.18 2.49 -1.44 2.03 1.01 -0.96 -2.72 120.40 117.65 3in3 s VAL 65 Ca 0.05 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3in3 s VAL 65 Cb 0.14 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3in3 s VAL 65 CO 0.76 0.08 0.00 -0.67 0.00 0.00 0.00 175.10 175.27 3in3 n ASP 66 N 1.90 -4.78 -0.14 3.32 2.03 -1.21 -4.91 116.55 112.77 3in3 n ASP 66 Ca 0.05 0.09 0.14 0.00 0.52 0.00 0.00 54.79 55.59 3in3 n ASP 66 Cb 0.40 -3.84 0.73 0.00 -0.72 0.00 0.00 41.12 37.69 3in3 n ASP 66 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3in3 n ASN 67 N -0.91 0.44 -4.65 1.67 6.94 -1.08 -4.80 115.26 112.88 3in3 n ASN 67 Ca -0.18 -1.25 -0.30 0.00 -0.02 0.00 0.00 54.58 52.83 3in3 n ASN 67 Cb 0.61 -0.01 -0.09 0.00 -2.36 0.00 0.00 39.78 37.93 3in3 n ASN 67 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3in3 s LEU 68 N -1.88 3.32 0.18 -4.53 1.43 -0.69 -4.31 118.68 112.21 3in3 s LEU 68 Ca 0.41 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 3in3 s LEU 68 Cb 0.19 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3in3 s LEU 68 CO 0.32 0.20 0.23 -0.13 0.23 0.00 0.00 176.35 177.20 3in3 s ARG 69 N -2.10 1.19 0.00 1.70 1.81 -0.60 -2.69 118.95 118.26 3in3 s ARG 69 Ca 0.23 -1.36 0.00 0.00 -1.72 0.00 0.00 55.73 52.88 3in3 s ARG 69 Cb -0.11 0.34 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 3in3 s ARG 69 CO 0.15 -0.42 0.00 0.41 -0.68 0.00 0.00 175.30 174.76 3in3 n GLY 70 N -0.24 -0.82 3.42 -3.53 0.00 -0.98 0.06 105.19 103.10 3in3 n GLY 70 Ca -0.03 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 3in3 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3in3 s LYS 71 N -2.00 2.54 -0.15 1.61 -0.14 -1.25 -0.47 119.74 119.88 3in3 s LYS 71 Ca 0.00 -0.75 -0.39 0.00 -1.36 0.00 0.00 55.97 53.47 3in3 s LYS 71 Cb 0.00 -2.34 -0.16 0.00 -1.68 0.00 0.00 37.83 33.65 3in3 s LYS 71 CO 0.00 0.55 1.59 0.45 -0.76 0.00 0.00 175.35 177.18 3in3 n SER 72 N 2.51 2.04 0.00 2.83 2.88 0.56 -0.23 113.62 124.21 3in3 n SER 72 Ca -0.17 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 3in3 n SER 72 Cb 0.52 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 3in3 n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3in3 n GLY 73 N 3.55 0.98 0.04 0.46 0.00 -1.26 -4.87 105.19 104.09 3in3 n GLY 73 Ca 0.24 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.32 3in3 n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3in3 n GLN 74 N -2.00 1.95 0.00 1.61 6.02 0.68 -4.91 117.38 120.73 3in3 n GLN 74 Ca 0.00 -2.13 0.00 0.00 -0.01 0.00 0.00 57.00 54.86 3in3 n GLN 74 Cb 0.00 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3in3 n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3in3 n GLY 75 N -1.05 0.36 3.69 1.08 0.00 -1.25 -4.75 105.19 103.28 3in3 n GLY 75 Ca 0.09 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 3in3 n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3in3 s TYR 76 N -2.65 3.21 0.13 1.61 1.51 -1.26 -3.81 117.35 116.09 3in3 s TYR 76 Ca 0.00 0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.31 3in3 s TYR 76 Cb 0.00 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 3in3 s TYR 76 CO 0.00 0.43 -0.15 1.52 -1.11 0.00 0.00 175.55 176.24 3in3 s TYR 77 N -0.67 1.50 0.09 2.71 1.13 0.11 -0.83 117.35 121.40 3in3 s TYR 77 Ca 0.11 -0.53 0.09 0.00 -1.41 0.00 0.00 57.07 55.34 3in3 s TYR 77 Cb -0.12 -0.78 -0.03 0.00 -1.10 0.00 0.00 41.96 39.93 3in3 s TYR 77 CO 0.02 0.18 -0.24 0.54 -2.51 0.00 0.00 175.55 173.54 3in3 s VAL 78 N -2.06 2.02 0.15 -3.49 0.11 -0.22 -1.55 120.40 115.35 3in3 s VAL 78 Ca 0.10 -1.55 -0.30 0.00 -2.93 0.00 0.00 61.98 57.30 3in3 s VAL 78 Cb -0.05 -1.78 -0.07 0.00 -1.53 0.00 0.00 36.38 32.95 3in3 s VAL 78 CO 0.04 0.13 1.10 -0.70 -3.33 0.00 0.00 175.10 172.33 3in3 s GLU 79 N -1.73 4.58 0.13 1.54 2.12 -1.26 -1.02 118.70 123.07 3in3 s GLU 79 Ca 0.11 1.69 0.01 0.00 0.36 0.00 0.00 54.97 57.14 3in3 s GLU 79 Cb -0.10 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 3in3 s GLU 79 CO 0.04 0.04 -0.02 -1.64 -0.54 0.00 0.00 175.26 173.14 3in3 s MET 80 N -0.09 0.96 0.05 4.30 -1.94 0.22 -4.03 119.30 118.77 3in3 s MET 80 Ca 0.50 -1.44 0.09 0.00 -1.71 0.00 0.00 55.69 53.14 3in3 s MET 80 Cb -0.29 -0.17 -0.03 0.00 2.01 0.00 0.00 34.83 36.35 3in3 s MET 80 CO 0.33 -0.10 -0.25 0.95 -0.01 0.00 0.00 175.02 175.94 3in3 s THR 81 N -3.69 2.04 -0.01 2.05 -4.23 -0.20 -0.93 115.64 110.65 3in3 s THR 81 Ca 0.19 -1.37 0.05 0.00 -1.18 0.00 0.00 61.69 59.38 3in3 s THR 81 Cb 0.06 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 72.14 3in3 s THR 81 CO -0.00 0.31 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.54 3in3 s VAL 82 N -0.82 1.31 0.00 2.29 1.01 -0.45 -1.59 120.40 122.15 3in3 s VAL 82 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3in3 s VAL 82 Cb -0.10 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3in3 s VAL 82 CO 0.02 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3in3 n GLY 83 N 2.71 -2.43 2.68 4.51 0.00 0.18 -0.86 105.19 111.99 3in3 n GLY 83 Ca -0.15 -1.62 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 3in3 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3in3 s SER 84 N -2.60 1.39 0.94 1.61 0.01 -1.26 -3.32 113.70 110.48 3in3 s SER 84 Ca 0.00 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 3in3 s SER 84 Cb 0.00 -0.22 0.16 0.00 0.21 0.00 0.00 66.02 66.17 3in3 s SER 84 CO 0.00 -0.25 1.10 -2.84 0.41 0.00 0.00 173.24 171.66 3in3 s PRO 85 N 2.12 0.83 0.20 12.44 0.02 -1.26 -0.96 135.00 148.39 3in3 s PRO 85 Ca 0.05 1.16 -0.32 0.00 0.02 0.00 0.00 61.00 61.91 3in3 s PRO 85 Cb -0.13 -1.73 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 3in3 s PRO 85 CO -0.04 -2.63 1.66 -2.14 -0.33 0.00 0.00 177.00 173.52 3in3 s PRO 86 N -4.72 4.16 -0.27 5.54 0.02 -1.21 -4.92 135.00 133.60 3in3 s PRO 86 Ca 0.65 2.52 -0.09 0.00 0.02 0.00 0.00 61.00 64.10 3in3 s PRO 86 Cb -0.21 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 3in3 s PRO 86 CO 0.59 -0.69 0.13 -0.65 -0.33 0.00 0.00 177.00 176.04 3in3 s GLN 87 N 1.06 3.66 -0.10 5.54 -0.21 -0.04 -4.88 119.66 124.69 3in3 s GLN 87 Ca 0.72 -0.49 -0.30 0.00 0.02 0.00 0.00 55.36 55.31 3in3 s GLN 87 Cb -0.48 -3.49 -0.01 0.00 1.00 0.00 0.00 33.01 30.03 3in3 s GLN 87 CO 0.33 -0.25 1.02 0.99 -2.12 0.00 0.00 175.29 175.26 3in3 s THR 88 N 1.66 4.75 0.03 -0.19 2.01 -1.26 -1.34 115.64 121.29 3in3 s THR 88 Ca 0.06 2.01 0.01 0.00 0.31 0.00 0.00 61.69 64.08 3in3 s THR 88 Cb -0.16 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.04 3in3 s THR 88 CO 0.06 0.01 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.19 3in3 s LEU 89 N 2.00 2.24 -0.19 4.42 1.43 -0.11 -4.97 118.68 123.50 3in3 s LEU 89 Ca 0.49 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 3in3 s LEU 89 Cb -0.19 -0.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.99 3in3 s LEU 89 CO 0.18 -0.26 0.41 0.20 0.23 0.00 0.00 176.35 177.12 3in3 s ASN 90 N -1.47 6.48 -0.11 2.29 0.01 -1.26 -0.61 114.94 120.27 3in3 s ASN 90 Ca -0.13 0.57 0.03 0.00 -0.71 0.00 0.00 52.86 52.61 3in3 s ASN 90 Cb -0.10 -2.24 0.01 0.00 0.41 0.00 0.00 41.25 39.33 3in3 s ASN 90 CO -0.00 -0.07 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.70 3in3 s ILE 91 N 1.19 1.75 0.18 0.60 -1.09 -0.19 0.02 121.20 123.66 3in3 s ILE 91 Ca 0.20 -0.81 -0.32 0.00 -2.23 0.00 0.00 60.65 57.49 3in3 s ILE 91 Cb -0.15 -1.55 -0.11 0.00 -1.58 0.00 0.00 42.46 39.07 3in3 s ILE 91 CO 0.08 0.49 1.67 -0.22 -1.23 0.00 0.00 174.94 175.74 3in3 s LEU 92 N 0.70 4.37 -0.48 2.97 2.96 0.06 -1.05 118.68 128.21 3in3 s LEU 92 Ca -0.12 2.75 -0.24 0.00 -0.22 0.00 0.00 54.13 56.30 3in3 s LEU 92 Cb -0.16 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.97 3in3 s LEU 92 CO 0.02 -0.92 0.88 -0.69 -1.32 0.00 0.00 176.35 174.33 3in3 s VAL 93 N 1.40 4.51 -0.32 1.68 1.01 -0.01 -0.11 120.40 128.56 3in3 s VAL 93 Ca 0.74 0.52 0.02 0.00 0.00 0.00 0.00 61.98 63.26 3in3 s VAL 93 Cb -0.47 -4.42 0.10 0.00 0.00 0.00 0.00 36.38 31.59 3in3 s VAL 93 CO 0.32 -0.87 0.06 -0.62 0.00 0.00 0.00 175.10 173.99 3in3 s ASP 94 N 2.37 4.49 0.00 3.32 2.15 -0.69 -4.31 116.67 123.99 3in3 s ASP 94 Ca 0.33 -1.93 0.29 0.00 0.43 0.00 0.00 52.55 51.67 3in3 s ASP 94 Cb -0.11 -1.37 1.75 0.00 -0.30 0.00 0.00 42.92 42.89 3in3 s ASP 94 CO 0.23 -0.38 2.10 0.35 -0.17 0.00 0.00 175.17 177.31 3in3 n THR 95 N 4.46 0.00 0.09 1.71 -2.24 -1.26 -0.90 114.28 116.13 3in3 n THR 95 Ca 0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 3in3 n THR 95 Cb 0.42 -0.50 0.24 0.00 -2.10 0.00 0.00 70.33 68.39 3in3 n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3in3 n GLY 96 N 0.89 1.97 3.64 3.38 0.00 -1.26 -4.24 105.19 109.56 3in3 n GLY 96 Ca 0.22 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 3in3 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3in3 s SER 97 N -1.31 0.38 -0.01 1.61 1.04 -1.23 -4.99 113.70 109.19 3in3 s SER 97 Ca 0.41 -1.23 0.01 0.00 0.48 0.00 0.00 55.95 55.62 3in3 s SER 97 Cb 0.23 0.72 0.02 0.00 0.10 0.00 0.00 66.02 67.09 3in3 s SER 97 CO 0.31 -1.41 0.73 -1.20 0.98 0.00 0.00 173.24 172.65 3in3 n SER 98 N -1.19 0.68 -4.71 7.02 7.64 -1.26 -1.03 113.62 120.76 3in3 n SER 98 Ca -0.03 -1.51 -0.34 0.00 1.01 0.00 0.00 58.87 58.00 3in3 n SER 98 Cb 0.61 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.67 3in3 n SER 98 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3in3 s ASN 99 N -0.56 5.36 -0.56 6.43 -0.87 -1.26 -4.51 114.94 118.96 3in3 s ASN 99 Ca 0.02 0.12 -0.22 0.00 -1.57 0.00 0.00 52.86 51.21 3in3 s ASN 99 Cb 0.02 -1.50 0.06 0.00 -0.02 0.00 0.00 41.25 39.80 3in3 s ASN 99 CO 0.00 0.33 0.84 0.12 -2.57 0.00 0.00 177.10 175.83 3in3 s PHE 100 N -1.01 2.85 -0.11 2.20 5.36 -1.26 -1.13 117.98 124.89 3in3 s PHE 100 Ca 0.17 -0.34 0.01 0.00 -0.96 0.00 0.00 56.93 55.81 3in3 s PHE 100 Cb -0.12 -3.97 0.02 0.00 -0.34 0.00 0.00 43.02 38.62 3in3 s PHE 100 CO 0.07 -1.32 -0.13 0.00 -1.46 0.00 0.00 175.22 172.38 3in3 s ALA 101 N 3.52 1.54 -0.02 11.12 0.00 -0.50 -0.79 121.76 136.63 3in3 s ALA 101 Ca 0.23 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.57 3in3 s ALA 101 Cb -0.16 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.14 3in3 s ALA 101 CO 0.14 -0.15 -0.09 0.14 0.00 0.00 0.00 175.76 175.80 3in3 s VAL 102 N 1.14 0.78 0.08 0.00 -7.23 -0.31 0.30 120.40 115.16 3in3 s VAL 102 Ca -0.04 -0.38 -0.36 0.00 -1.81 0.00 0.00 61.98 59.40 3in3 s VAL 102 Cb -0.14 -0.68 -0.15 0.00 0.56 0.00 0.00 36.38 35.97 3in3 s VAL 102 CO -0.03 0.24 1.52 0.61 -0.31 0.00 0.00 175.10 177.12 3in3 n GLY 103 N 3.15 0.86 1.10 2.32 0.00 0.07 -0.71 105.19 111.98 3in3 n GLY 103 Ca -0.17 0.71 0.04 0.00 0.00 0.00 0.00 46.02 46.60 3in3 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in3 n ALA 104 N 3.46 2.50 -3.48 4.61 0.00 -0.41 -0.68 120.51 126.52 3in3 n ALA 104 Ca 0.19 -2.27 -0.13 0.00 0.00 0.00 0.00 53.44 51.23 3in3 n ALA 104 Cb 0.24 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 3in3 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3in3 s ALA 105 N -0.65 -1.72 0.32 0.00 0.00 -1.21 -4.82 121.76 113.67 3in3 s ALA 105 Ca 0.28 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 52.88 3in3 s ALA 105 Cb 0.31 0.42 -0.13 0.00 0.00 0.00 0.00 23.12 23.72 3in3 s ALA 105 CO -0.11 -0.61 1.05 -2.30 0.00 0.00 0.00 175.76 173.79 3in3 n PRO 106 N 0.10 1.48 -3.72 0.00 -0.02 -1.26 -4.96 135.00 126.62 3in3 n PRO 106 Ca -0.15 0.52 -0.14 0.00 -2.02 0.00 0.00 63.50 61.71 3in3 n PRO 106 Cb 0.62 -1.95 -0.09 0.00 -0.02 0.00 0.00 33.50 32.06 3in3 n PRO 106 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3in3 s HIS 107 N -1.10 -0.39 0.53 6.00 2.46 -1.26 -5.04 115.29 116.49 3in3 s HIS 107 Ca 0.58 0.85 0.22 0.00 0.47 0.00 0.00 55.06 57.18 3in3 s HIS 107 Cb -0.66 0.16 1.38 0.00 -0.13 0.00 0.00 32.58 33.33 3in3 s HIS 107 CO 0.60 -0.31 2.08 -1.35 -2.47 0.00 0.00 174.74 173.29 3in3 h PRO 108 N 4.72 0.00 -0.01 2.88 0.11 -2.02 -0.20 132.00 137.47 3in3 h PRO 108 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3in3 h PRO 108 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3in3 h PRO 108 CO 0.30 0.00 -0.33 1.19 -0.21 0.00 0.00 178.00 178.96 3in3 n PHE 109 N -4.38 0.00 -3.60 0.65 3.72 -1.26 -4.86 117.46 107.72 3in3 n PHE 109 Ca 0.03 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.06 3in3 n PHE 109 Cb 0.33 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.67 3in3 n PHE 109 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3in3 s LEU 110 N -2.56 4.16 0.00 4.37 1.43 -0.09 -4.67 118.68 121.33 3in3 s LEU 110 Ca 0.22 0.28 0.20 0.00 -1.03 0.00 0.00 54.13 53.79 3in3 s LEU 110 Cb 0.19 -2.22 -0.08 0.00 0.03 0.00 0.00 46.19 44.10 3in3 s LEU 110 CO 0.55 0.07 0.92 1.41 0.23 0.00 0.00 176.35 179.53 3in3 n HIS 111 N 4.06 0.00 -3.55 0.29 8.25 -1.26 -4.54 115.22 118.47 3in3 n HIS 111 Ca -0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.20 3in3 n HIS 111 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 3in3 n HIS 111 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3in3 s ARG 112 N -2.44 1.11 0.25 -0.41 1.70 -1.26 -5.17 118.95 112.73 3in3 s ARG 112 Ca 0.13 -0.39 -0.16 0.00 -0.47 0.00 0.00 55.73 54.84 3in3 s ARG 112 Cb 0.15 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 35.04 3in3 s ARG 112 CO 0.60 -0.43 0.56 1.52 -1.08 0.00 0.00 175.30 176.47 3in3 s TYR 113 N -3.06 0.14 -0.16 5.89 -0.85 -1.26 -4.91 117.35 113.13 3in3 s TYR 113 Ca -0.02 -0.53 -0.29 0.00 -0.52 0.00 0.00 57.07 55.70 3in3 s TYR 113 Cb -0.00 0.38 -0.01 0.00 0.38 0.00 0.00 41.96 42.71 3in3 s TYR 113 CO -0.07 -1.07 1.15 -0.47 -1.52 0.00 0.00 175.55 173.58 3in3 s TYR 114 N -3.97 3.14 -0.50 -3.49 5.04 0.15 -4.95 117.35 112.75 3in3 s TYR 114 Ca 0.18 1.26 -0.06 0.00 -2.44 0.00 0.00 57.07 56.00 3in3 s TYR 114 Cb -0.02 -3.38 0.13 0.00 0.35 0.00 0.00 41.96 39.04 3in3 s TYR 114 CO 0.07 -1.08 0.34 -0.65 -1.34 0.00 0.00 175.55 172.89 3in3 s GLN 115 N 3.02 2.38 0.43 4.97 -0.21 -1.26 -4.39 119.66 124.59 3in3 s GLN 115 Ca 0.51 -2.00 0.09 0.00 0.02 0.00 0.00 55.36 53.98 3in3 s GLN 115 Cb -0.20 -3.78 0.94 0.00 1.00 0.00 0.00 33.01 30.97 3in3 s GLN 115 CO 0.13 -1.15 2.07 0.00 -2.12 0.00 0.00 175.29 174.22 3in3 h ARG 116 N 7.94 0.44 0.00 2.91 3.08 -1.94 -1.64 114.38 125.17 3in3 h ARG 116 Ca -0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3in3 h ARG 116 Cb 1.03 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 3in3 h ARG 116 CO 0.76 0.29 -0.07 -0.56 -1.07 0.00 0.00 179.97 179.33 3in3 h GLN 117 N 0.46 0.00 -0.01 0.04 -0.00 -2.01 -1.80 115.11 111.79 3in3 h GLN 117 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 3in3 h GLN 117 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3in3 h GLN 117 CO -0.03 0.07 -0.08 1.28 -0.00 0.00 0.00 178.83 180.07 3in3 n LEU 118 N -3.21 0.58 -4.43 0.06 4.77 -0.62 -4.81 117.00 109.33 3in3 n LEU 118 Ca 0.00 -0.09 -0.38 0.00 -0.03 0.00 0.00 56.01 55.51 3in3 n LEU 118 Cb 0.32 -0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 41.17 3in3 n LEU 118 CO 0.29 0.10 -0.23 -0.55 -1.33 0.00 0.00 177.39 175.67 3in3 s SER 119 N -2.32 5.44 0.35 -1.43 0.15 -0.68 -4.26 113.70 110.96 3in3 s SER 119 Ca 0.33 -0.50 0.27 0.00 0.70 0.00 0.00 55.95 56.76 3in3 s SER 119 Cb 0.20 -1.97 1.11 0.00 -1.71 0.00 0.00 66.02 63.65 3in3 s SER 119 CO 0.44 -0.17 1.80 0.77 1.20 0.00 0.00 173.24 177.28 3in3 h SER 120 N 8.32 0.00 -0.12 5.45 4.64 -1.34 -3.07 113.55 127.43 3in3 h SER 120 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3in3 h SER 120 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3in3 h SER 120 CO 0.61 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.92 3in3 n THR 121 N -2.52 0.27 -2.04 2.95 -2.24 -1.26 -4.99 114.28 104.44 3in3 n THR 121 Ca 0.02 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 3in3 n THR 121 Cb 0.26 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 3in3 n THR 121 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3in3 s TYR 122 N -1.09 2.95 -0.06 4.78 5.04 -1.16 -4.57 117.35 123.24 3in3 s TYR 122 Ca 0.19 1.33 0.01 0.00 -2.44 0.00 0.00 57.07 56.16 3in3 s TYR 122 Cb 0.12 -3.76 0.02 0.00 0.35 0.00 0.00 41.96 38.69 3in3 s TYR 122 CO 0.17 -2.16 -0.05 1.03 -1.34 0.00 0.00 175.55 173.20 3in3 s ARG 123 N -1.73 1.04 0.11 4.97 0.52 -0.26 -5.00 118.95 118.60 3in3 s ARG 123 Ca 0.51 -0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 55.27 3in3 s ARG 123 Cb -0.41 -1.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.93 3in3 s ARG 123 CO 0.54 -0.13 0.98 0.34 0.02 0.00 0.00 175.30 177.06 3in3 s ASP 124 N 1.17 7.45 0.00 0.23 -1.08 -1.26 -0.81 116.67 122.38 3in3 s ASP 124 Ca -0.07 1.82 0.25 0.00 -0.52 0.00 0.00 52.55 54.04 3in3 s ASP 124 Cb -0.14 -2.59 0.44 0.00 -1.46 0.00 0.00 42.92 39.17 3in3 s ASP 124 CO -0.01 -0.11 1.38 0.18 0.52 0.00 0.00 175.17 177.13 3in3 n LEU 125 N 2.85 1.97 -3.73 -1.34 4.77 -0.80 -4.93 117.00 115.78 3in3 n LEU 125 Ca 0.03 -0.66 -0.28 0.00 -0.03 0.00 0.00 56.01 55.06 3in3 n LEU 125 Cb 0.49 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3in3 n LEU 125 CO 0.52 0.34 -0.11 0.54 -1.33 0.00 0.00 177.39 177.35 3in3 n ARG 126 N 0.27 -2.26 -3.65 3.23 3.00 -1.26 -4.98 116.66 111.01 3in3 n ARG 126 Ca 0.13 0.48 -0.11 0.00 -0.01 0.00 0.00 57.85 58.34 3in3 n ARG 126 Cb 0.45 -4.42 -0.08 0.00 0.00 0.00 0.00 32.46 28.42 3in3 n ARG 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3in3 s LYS 127 N -6.07 0.70 0.38 5.56 2.20 -1.26 -5.05 119.74 116.19 3in3 s LYS 127 Ca 0.30 1.00 0.05 0.00 -0.36 0.00 0.00 55.97 56.96 3in3 s LYS 127 Cb -0.10 0.25 -0.00 0.00 -1.51 0.00 0.00 37.83 36.46 3in3 s LYS 127 CO 0.86 -0.12 0.53 0.20 -0.36 0.00 0.00 175.35 176.46 3in3 s GLY 128 N 0.90 1.63 -0.10 5.54 0.00 -1.26 -0.71 107.32 113.33 3in3 s GLY 128 Ca -0.04 -1.39 -0.06 0.00 0.00 0.00 0.00 44.72 43.23 3in3 s GLY 128 CO -0.08 -1.27 0.23 0.54 0.00 0.00 0.00 173.10 172.53 3in3 s VAL 129 N -2.29 -0.03 -0.13 1.40 0.11 -0.84 -4.86 120.40 113.76 3in3 s VAL 129 Ca 0.47 0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 59.62 3in3 s VAL 129 Cb -0.10 -0.35 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 3in3 s VAL 129 CO 0.33 0.04 -0.05 -0.31 -3.33 0.00 0.00 175.10 171.78 3in3 s TYR 130 N 0.88 1.42 -0.54 1.54 1.51 -1.26 -1.15 117.35 119.75 3in3 s TYR 130 Ca -0.06 -0.77 0.04 0.00 -1.01 0.00 0.00 57.07 55.26 3in3 s TYR 130 Cb -0.08 -1.19 0.15 0.00 -0.11 0.00 0.00 41.96 40.73 3in3 s TYR 130 CO -0.05 -0.53 0.34 0.08 -1.11 0.00 0.00 175.55 174.28 3in3 s VAL 131 N 1.73 2.03 0.29 0.71 1.01 0.62 -5.01 120.40 121.78 3in3 s VAL 131 Ca 0.03 -3.29 -0.29 0.00 0.00 0.00 0.00 61.98 58.43 3in3 s VAL 131 Cb -0.14 -2.38 -0.10 0.00 0.00 0.00 0.00 36.38 33.77 3in3 s VAL 131 CO -0.08 -0.95 1.11 -2.16 0.00 0.00 0.00 175.10 173.03 3in3 s PRO 132 N -0.41 4.61 0.31 2.72 0.04 -1.26 -1.15 135.00 139.85 3in3 s PRO 132 Ca 0.22 1.83 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 3in3 s PRO 132 Cb -0.15 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3in3 s PRO 132 CO -0.08 0.17 0.38 1.52 0.04 0.00 0.00 177.00 179.04 3in3 s TYR 133 N -1.17 1.17 0.07 0.56 -0.85 0.82 -4.97 117.35 112.98 3in3 s TYR 133 Ca 0.45 -1.34 -0.22 0.00 -0.52 0.00 0.00 57.07 55.45 3in3 s TYR 133 Cb -0.32 -0.28 -0.09 0.00 0.38 0.00 0.00 41.96 41.65 3in3 s TYR 133 CO 0.42 -0.99 1.35 1.15 -1.52 0.00 0.00 175.55 175.96 3in3 h THR 134 N 2.20 0.00 -0.05 -3.49 2.02 -2.03 -2.88 112.91 108.68 3in3 h THR 134 Ca -0.28 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 3in3 h THR 134 Cb 1.24 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3in3 h THR 134 CO 0.40 0.00 -0.31 1.56 0.37 0.00 0.00 175.52 177.54 3in3 h GLN 135 N -0.42 0.10 0.00 6.66 7.50 -1.98 -3.48 115.11 123.49 3in3 h GLN 135 Ca 0.01 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.13 3in3 h GLN 135 Cb 0.45 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.97 3in3 h GLN 135 CO -0.23 0.40 0.00 0.41 -1.50 0.00 0.00 178.83 177.91 3in3 n GLY 136 N -0.54 1.71 3.50 3.46 0.00 -1.09 -4.86 105.19 107.37 3in3 n GLY 136 Ca -0.02 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3in3 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3in3 s LYS 137 N 4.97 0.92 0.09 1.61 -2.85 -0.92 -0.13 119.74 123.43 3in3 s LYS 137 Ca 0.00 -0.18 0.02 0.00 -1.00 0.00 0.00 55.97 54.81 3in3 s LYS 137 Cb 0.00 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 3in3 s LYS 137 CO 0.00 -0.37 -0.07 1.67 0.10 0.00 0.00 175.35 176.68 3in3 s TRP 138 N -2.63 0.85 -0.13 1.78 1.48 -0.30 -1.30 118.94 118.70 3in3 s TRP 138 Ca 0.01 -0.84 -0.10 0.00 -1.06 0.00 0.00 56.10 54.11 3in3 s TRP 138 Cb -0.01 -0.50 0.04 0.00 -1.16 0.00 0.00 33.47 31.84 3in3 s TRP 138 CO -0.05 -0.14 0.33 -2.00 -4.06 0.00 0.00 176.95 171.03 3in3 s GLU 139 N -3.41 0.36 0.00 3.25 2.12 -0.42 -0.27 118.70 120.32 3in3 s GLU 139 Ca 0.08 0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.92 3in3 s GLU 139 Cb 0.02 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.52 3in3 s GLU 139 CO -0.04 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 3in3 n GLY 140 N 3.29 2.06 3.02 -1.50 0.00 -0.30 -1.10 105.19 110.65 3in3 n GLY 140 Ca -0.16 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 3in3 n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3in3 s GLU 141 N -0.84 1.33 0.18 1.61 2.02 -0.39 -1.99 118.70 120.61 3in3 s GLU 141 Ca 0.00 -0.37 -0.20 0.00 0.02 0.00 0.00 54.97 54.42 3in3 s GLU 141 Cb 0.00 -1.17 -0.08 0.00 0.10 0.00 0.00 34.13 32.99 3in3 s GLU 141 CO 0.00 0.08 0.69 -0.51 0.02 0.00 0.00 175.26 175.54 3in3 s LEU 142 N 0.40 4.42 0.00 1.80 1.43 0.11 -0.96 118.68 125.89 3in3 s LEU 142 Ca -0.08 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.30 3in3 s LEU 142 Cb -0.12 -3.39 0.04 0.00 0.03 0.00 0.00 46.19 42.75 3in3 s LEU 142 CO 0.02 0.11 0.58 0.61 0.23 0.00 0.00 176.35 177.90 3in3 n GLY 143 N 1.05 1.03 3.16 -3.19 0.00 -0.88 -1.91 105.19 104.45 3in3 n GLY 143 Ca -0.05 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 3in3 n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3in3 s THR 144 N -2.32 0.88 0.22 2.61 -4.23 0.01 -0.29 115.64 112.53 3in3 s THR 144 Ca 0.13 -1.57 -0.23 0.00 -1.18 0.00 0.00 61.69 58.84 3in3 s THR 144 Cb -0.02 -1.27 0.04 0.00 1.34 0.00 0.00 72.50 72.59 3in3 s THR 144 CO 0.05 -0.54 0.82 -0.62 -0.54 0.00 0.00 174.62 173.79 3in3 s ASP 145 N -2.33 -0.23 0.24 3.99 -1.08 -0.98 -1.10 116.67 115.18 3in3 s ASP 145 Ca 0.03 -0.51 -0.30 0.00 -0.52 0.00 0.00 52.55 51.26 3in3 s ASP 145 Cb -0.04 0.62 -0.09 0.00 -1.46 0.00 0.00 42.92 41.96 3in3 s ASP 145 CO -0.00 -1.15 1.04 -0.76 0.52 0.00 0.00 175.17 174.81 3in3 s LEU 146 N -2.92 4.58 -0.01 -1.34 1.43 -1.26 -1.98 118.68 117.18 3in3 s LEU 146 Ca 0.11 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.34 3in3 s LEU 146 Cb -0.04 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.56 3in3 s LEU 146 CO 0.05 -0.04 -0.05 -0.69 0.23 0.00 0.00 176.35 175.85 3in3 s VAL 147 N -0.99 0.39 0.07 -1.59 1.01 0.78 -0.65 120.40 119.43 3in3 s VAL 147 Ca 0.44 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.24 3in3 s VAL 147 Cb -0.29 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3in3 s VAL 147 CO 0.36 0.12 -0.06 -0.44 0.00 0.00 0.00 175.10 175.09 3in3 s SER 148 N 0.04 0.85 -0.31 3.32 0.01 -0.62 -1.26 113.70 115.72 3in3 s SER 148 Ca 0.00 -0.83 0.02 0.00 1.31 0.00 0.00 55.95 56.46 3in3 s SER 148 Cb -0.04 0.10 0.08 0.00 0.21 0.00 0.00 66.02 66.37 3in3 s SER 148 CO -0.00 -0.40 0.01 -0.63 0.41 0.00 0.00 173.24 172.62 3in3 s ILE 149 N -2.83 2.45 0.31 1.44 1.01 -1.26 -1.03 121.20 121.29 3in3 s ILE 149 Ca 0.02 -1.94 0.03 0.00 0.00 0.00 0.00 60.65 58.76 3in3 s ILE 149 Cb -0.00 -2.62 0.29 0.00 0.01 0.00 0.00 42.46 40.14 3in3 s ILE 149 CO -0.04 -0.35 1.87 -0.65 0.00 0.00 0.00 174.94 175.78 3in3 h PRO 150 N 7.77 0.90 -0.80 2.79 0.11 -1.90 -0.09 132.00 140.78 3in3 h PRO 150 Ca -0.12 -0.05 -0.51 0.00 0.11 0.00 0.00 66.00 65.42 3in3 h PRO 150 Cb 1.04 -0.20 -0.28 0.00 0.11 0.00 0.00 31.00 31.66 3in3 h PRO 150 CO 0.52 0.59 0.25 0.72 -0.21 0.00 0.00 178.00 179.88 3in3 n HIS 151 N -4.56 2.60 -2.20 0.65 8.25 -1.26 -4.93 115.22 113.78 3in3 n HIS 151 Ca 0.17 -2.32 0.00 0.00 -0.26 0.00 0.00 57.72 55.31 3in3 n HIS 151 Cb 0.33 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.54 3in3 n HIS 151 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3in3 n GLY 152 N -0.97 5.57 3.75 -1.41 0.00 -0.05 -4.20 105.19 107.88 3in3 n GLY 152 Ca 0.51 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 3in3 n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3in3 s PRO 153 N 1.80 3.08 -1.47 1.61 0.04 -1.26 -4.88 135.00 133.92 3in3 s PRO 153 Ca 0.00 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 3in3 s PRO 153 Cb 0.00 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.42 3in3 s PRO 153 CO 0.00 -1.19 2.49 -1.71 0.04 0.00 0.00 177.00 176.63 3in3 n ASN 154 N -1.22 6.74 -4.21 6.66 5.15 -1.26 -4.61 115.26 122.51 3in3 n ASN 154 Ca 0.12 -2.83 -0.12 0.00 -0.60 0.00 0.00 54.58 51.14 3in3 n ASN 154 Cb 0.47 -1.54 -0.10 0.00 -0.53 0.00 0.00 39.78 38.08 3in3 n ASN 154 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3in3 s VAL 155 N 1.56 0.18 -0.04 3.44 -7.23 -1.26 -5.16 120.40 111.89 3in3 s VAL 155 Ca 0.56 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 3in3 s VAL 155 Cb 0.16 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.76 3in3 s VAL 155 CO -0.07 -0.19 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.55 3in3 s THR 156 N -4.01 0.83 0.08 5.32 2.01 -1.26 -4.46 115.64 114.15 3in3 s THR 156 Ca 0.33 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.05 3in3 s THR 156 Cb 0.07 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 3in3 s THR 156 CO 0.08 0.27 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.38 3in3 s VAL 157 N 0.40 1.72 -0.35 3.82 1.01 -0.39 -4.91 120.40 121.70 3in3 s VAL 157 Ca -0.07 -1.43 -0.19 0.00 0.00 0.00 0.00 61.98 60.29 3in3 s VAL 157 Cb -0.11 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 3in3 s VAL 157 CO 0.01 0.04 0.57 -0.60 0.00 0.00 0.00 175.10 175.12 3in3 s ARG 158 N -1.65 3.64 0.16 2.72 3.52 -1.26 -0.16 118.95 125.93 3in3 s ARG 158 Ca 0.07 -0.07 0.07 0.00 -0.13 0.00 0.00 55.73 55.67 3in3 s ARG 158 Cb -0.10 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 3in3 s ARG 158 CO 0.03 -0.68 -0.15 0.00 -0.81 0.00 0.00 175.30 173.69 3in3 s ALA 159 N 2.53 1.81 0.45 6.12 0.00 -0.84 -4.93 121.76 126.90 3in3 s ALA 159 Ca 0.21 -1.48 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 3in3 s ALA 159 Cb -0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.79 3in3 s ALA 159 CO 0.14 0.12 1.34 -0.80 0.00 0.00 0.00 175.76 176.56 3in3 s ASN 160 N -2.84 5.99 -0.03 0.00 0.01 -1.26 -2.31 114.94 114.50 3in3 s ASN 160 Ca 0.16 2.72 -0.01 0.00 -0.71 0.00 0.00 52.86 55.02 3in3 s ASN 160 Cb -0.03 -2.64 0.03 0.00 0.41 0.00 0.00 41.25 39.02 3in3 s ASN 160 CO 0.05 -1.08 0.05 -0.63 -1.51 0.00 0.00 177.10 173.99 3in3 s ILE 161 N -1.28 -0.10 -0.41 0.60 1.01 0.61 -4.63 121.20 117.01 3in3 s ILE 161 Ca 0.61 0.37 -0.23 0.00 0.00 0.00 0.00 60.65 61.41 3in3 s ILE 161 Cb -0.39 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 41.96 3in3 s ILE 161 CO 0.50 0.16 0.75 0.00 0.00 0.00 0.00 174.94 176.34 3in3 s ALA 162 N 1.88 3.37 -0.55 9.38 0.00 0.03 -2.08 121.76 133.78 3in3 s ALA 162 Ca 0.01 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 50.85 3in3 s ALA 162 Cb -0.12 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.66 3in3 s ALA 162 CO -0.03 -1.68 0.97 0.00 0.00 0.00 0.00 175.76 175.02 3in3 s ALA 163 N 3.10 3.14 -0.24 0.00 0.00 -0.13 -1.16 121.76 126.48 3in3 s ALA 163 Ca 0.29 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 3in3 s ALA 163 Cb -0.13 -3.77 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 3in3 s ALA 163 CO 0.19 -2.41 1.41 0.42 0.00 0.00 0.00 175.76 175.37 3in3 s ILE 164 N 4.04 3.99 -0.10 0.00 1.01 0.11 -1.26 121.20 129.00 3in3 s ILE 164 Ca 0.32 1.14 0.17 0.00 0.00 0.00 0.00 60.65 62.28 3in3 s ILE 164 Cb -0.12 -3.95 -0.25 0.00 0.01 0.00 0.00 42.46 38.15 3in3 s ILE 164 CO 0.20 -0.33 0.24 0.35 0.00 0.00 0.00 174.94 175.39 3in3 n THR 165 N 6.07 0.58 -3.79 2.92 -2.24 -0.26 -1.29 114.28 116.27 3in3 n THR 165 Ca 0.16 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3in3 n THR 165 Cb 0.46 -0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.37 3in3 n THR 165 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3in3 s GLU 166 N -2.86 0.57 0.06 -0.78 2.02 -1.12 -4.82 118.70 111.77 3in3 s GLU 166 Ca -0.08 -0.17 -0.26 0.00 0.02 0.00 0.00 54.97 54.48 3in3 s GLU 166 Cb 0.09 0.25 0.09 0.00 0.10 0.00 0.00 34.13 34.66 3in3 s GLU 166 CO 0.74 -0.15 0.77 -1.54 0.02 0.00 0.00 175.26 175.10 3in3 s SER 167 N -1.15 -0.46 -0.05 -0.19 1.04 -1.26 -1.31 113.70 110.32 3in3 s SER 167 Ca -0.12 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 3in3 s SER 167 Cb -0.05 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.57 3in3 s SER 167 CO 0.03 -0.76 -0.00 -0.62 0.98 0.00 0.00 173.24 172.87 3in3 s ASP 168 N -2.53 1.15 -1.72 7.02 2.15 -0.42 -4.83 116.67 117.49 3in3 s ASP 168 Ca 0.03 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.95 3in3 s ASP 168 Cb -0.01 -0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.26 3in3 s ASP 168 CO -0.10 -0.15 0.00 0.29 -0.17 0.00 0.00 175.17 175.04 3in3 n LYS 169 N 4.73 -1.61 -0.06 4.34 5.02 -1.26 -2.16 118.16 127.16 3in3 n LYS 169 Ca -0.14 0.96 -0.04 0.00 -2.02 0.00 0.00 58.31 57.07 3in3 n LYS 169 Cb 0.50 -5.43 -0.01 0.00 -0.02 0.00 0.00 35.03 30.07 3in3 n LYS 169 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3in3 n PHE 170 N -2.89 0.71 -2.14 2.13 7.35 -1.26 -4.74 117.46 116.61 3in3 n PHE 170 Ca -0.19 0.31 -0.33 0.00 -0.76 0.00 0.00 57.45 56.47 3in3 n PHE 170 Cb 0.62 -0.66 0.00 0.00 0.35 0.00 0.00 39.48 39.79 3in3 n PHE 170 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3in3 s PHE 171 N -2.03 2.93 -0.11 -5.13 0.40 -1.26 -5.05 117.98 107.73 3in3 s PHE 171 Ca -0.13 1.53 0.01 0.00 -0.60 0.00 0.00 56.93 57.75 3in3 s PHE 171 Cb 0.02 -3.06 -0.01 0.00 0.51 0.00 0.00 43.02 40.47 3in3 s PHE 171 CO 0.19 -1.14 -0.15 0.42 0.70 0.00 0.00 175.22 175.23 3in3 s ILE 172 N -2.29 2.88 -0.02 0.64 1.01 -1.26 -5.03 121.20 117.13 3in3 s ILE 172 Ca 0.65 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 3in3 s ILE 172 Cb -0.17 -2.18 -0.08 0.00 0.01 0.00 0.00 42.46 40.04 3in3 s ILE 172 CO 0.33 0.54 2.03 -3.20 0.00 0.00 0.00 174.94 174.64 3in3 n ASN 173 N 3.26 3.94 -0.00 3.58 5.15 -1.26 -2.52 115.26 127.41 3in3 n ASN 173 Ca -0.18 0.75 -0.00 0.00 -0.60 0.00 0.00 54.58 54.55 3in3 n ASN 173 Cb 0.53 -1.52 -0.00 0.00 -0.53 0.00 0.00 39.78 38.25 3in3 n ASN 173 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3in3 n GLY 174 N 4.82 0.48 0.21 8.20 0.00 -1.26 -4.91 105.19 112.73 3in3 n GLY 174 Ca 0.22 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.29 3in3 n GLY 174 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3in3 h SER 175 N 0.00 0.00 -0.21 1.61 4.64 -1.85 -3.47 113.55 114.27 3in3 h SER 175 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3in3 h SER 175 Cb 0.03 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 3in3 h SER 175 CO 0.00 0.28 -0.08 -3.20 -0.87 0.00 0.00 176.83 172.96 3in3 n ASN 176 N -3.44 -3.63 -4.35 4.97 5.15 -1.26 -4.57 115.26 108.13 3in3 n ASN 176 Ca 0.00 0.11 -0.24 0.00 -0.60 0.00 0.00 54.58 53.85 3in3 n ASN 176 Cb 0.47 -1.52 -0.12 0.00 -0.53 0.00 0.00 39.78 38.08 3in3 n ASN 176 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3in3 s TRP 177 N -2.13 1.97 0.00 1.20 1.48 -1.26 -4.66 118.94 115.54 3in3 s TRP 177 Ca 0.00 -0.42 0.00 0.00 -1.06 0.00 0.00 56.10 54.62 3in3 s TRP 177 Cb 0.00 -1.01 0.00 0.00 -1.16 0.00 0.00 33.47 31.30 3in3 s TRP 177 CO 0.00 0.35 0.67 0.39 -4.06 0.00 0.00 176.95 174.29 3in3 n GLU 178 N 0.51 0.41 -3.91 3.25 4.71 0.10 -4.88 120.64 120.83 3in3 n GLU 178 Ca -0.15 -0.84 -0.02 0.00 -0.01 0.00 0.00 57.16 56.14 3in3 n GLU 178 Cb 0.56 -0.99 0.02 0.00 -1.01 0.00 0.00 31.44 30.01 3in3 n GLU 178 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3in3 s GLY 179 N -0.35 0.09 -0.03 0.62 0.00 -1.21 -0.76 107.32 105.69 3in3 s GLY 179 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.45 3in3 s GLY 179 CO 0.00 3.22 -0.09 -0.42 0.00 0.00 0.00 173.10 175.81 3in3 s ILE 180 N -2.09 0.78 -0.48 0.90 1.01 0.15 -0.76 121.20 120.71 3in3 s ILE 180 Ca 0.24 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.43 3in3 s ILE 180 Cb -0.02 -0.69 0.12 0.00 0.01 0.00 0.00 42.46 41.87 3in3 s ILE 180 CO 0.04 0.24 0.36 -0.22 0.00 0.00 0.00 174.94 175.37 3in3 s LEU 181 N 0.18 5.74 -0.38 2.97 2.96 0.84 -1.41 118.68 129.59 3in3 s LEU 181 Ca -0.03 -1.90 -0.29 0.00 -0.22 0.00 0.00 54.13 51.69 3in3 s LEU 181 Cb -0.08 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.59 3in3 s LEU 181 CO 0.00 -0.71 1.20 -0.83 -1.32 0.00 0.00 176.35 174.70 3in3 s GLY 182 N 2.76 1.36 0.00 7.98 0.00 -0.28 -1.70 107.32 117.44 3in3 s GLY 182 Ca 0.05 -0.17 0.24 0.00 0.00 0.00 0.00 44.72 44.85 3in3 s GLY 182 CO -0.00 2.47 1.33 1.04 0.00 0.00 0.00 173.10 177.94 3in3 n LEU 183 N 7.66 3.13 0.00 0.66 4.77 -0.08 -4.32 117.00 128.83 3in3 n LEU 183 Ca 0.13 -1.17 -0.06 0.00 -0.03 0.00 0.00 56.01 54.88 3in3 n LEU 183 Cb 0.48 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 3in3 n LEU 183 CO 0.66 0.59 0.18 0.00 -1.33 0.00 0.00 177.39 177.49 3in3 n ALA 184 N 1.37 -0.27 -2.26 -1.18 0.00 -0.20 -4.95 120.51 113.03 3in3 n ALA 184 Ca 0.16 -0.39 -0.24 0.00 0.00 0.00 0.00 53.44 52.97 3in3 n ALA 184 Cb 0.60 -0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.06 3in3 n ALA 184 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3in3 s TYR 185 N -1.44 3.22 0.53 0.00 1.51 -0.42 -4.63 117.35 116.11 3in3 s TYR 185 Ca 0.16 0.32 0.19 0.00 -1.01 0.00 0.00 57.07 56.74 3in3 s TYR 185 Cb -0.01 -2.42 1.38 0.00 -0.11 0.00 0.00 41.96 40.80 3in3 s TYR 185 CO 0.11 -0.48 2.16 0.00 -1.11 0.00 0.00 175.55 176.24 3in3 h ALA 186 N 0.26 1.85 -1.02 3.71 0.00 -1.86 -2.65 119.26 119.54 3in3 h ALA 186 Ca -0.46 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 54.70 3in3 h ALA 186 Cb 1.25 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3in3 h ALA 186 CO 0.58 0.02 0.68 1.49 0.00 0.00 0.00 179.25 182.03 3in3 h GLU 187 N 0.00 0.27 -0.46 0.00 4.81 -1.87 0.65 114.58 117.99 3in3 h GLU 187 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3in3 h GLU 187 Cb 0.04 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3in3 h GLU 187 CO 0.00 0.18 0.00 0.44 -0.73 0.00 0.00 179.01 178.90 3in3 n ILE 188 N -4.48 1.48 -2.36 2.32 -5.35 -1.00 -4.64 119.36 105.33 3in3 n ILE 188 Ca 0.23 -1.22 -0.36 0.00 -0.27 0.00 0.00 62.75 61.13 3in3 n ILE 188 Cb 0.92 0.25 -0.02 0.00 -1.74 0.00 0.00 39.64 39.05 3in3 n ILE 188 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3in3 s ALA 189 N -1.58 2.93 -0.07 -1.28 0.00 0.22 -4.63 121.76 117.36 3in3 s ALA 189 Ca 0.38 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 3in3 s ALA 189 Cb 0.24 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 3in3 s ALA 189 CO 0.19 -0.53 0.09 1.03 0.00 0.00 0.00 175.76 176.54 3in3 s ARG 190 N -2.83 3.22 0.00 0.00 1.81 -1.26 -2.09 118.95 117.79 3in3 s ARG 190 Ca 0.64 -0.32 0.29 0.00 -1.72 0.00 0.00 55.73 54.62 3in3 s ARG 190 Cb -0.25 -2.99 1.16 0.00 -0.45 0.00 0.00 34.95 32.43 3in3 s ARG 190 CO 0.30 0.71 1.87 -0.35 -0.68 0.00 0.00 175.30 177.14 3in3 n PRO 191 N 1.67 0.09 -3.84 3.54 -0.04 -1.26 -4.92 135.00 130.24 3in3 n PRO 191 Ca -0.17 -0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.23 3in3 n PRO 191 Cb 0.54 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 3in3 n PRO 191 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3in3 n ASP 192 N -1.45 -1.98 0.00 3.54 5.75 -0.89 -5.05 116.55 116.48 3in3 n ASP 192 Ca 0.08 -2.20 0.12 0.00 -0.01 0.00 0.00 54.79 52.79 3in3 n ASP 192 Cb 0.32 3.26 0.71 0.00 -1.03 0.00 0.00 41.12 44.38 3in3 n ASP 192 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3in3 n ASP 193 N -1.40 0.00 0.12 -1.12 5.75 -1.25 -2.72 116.55 115.94 3in3 n ASP 193 Ca -0.05 -0.53 0.13 0.00 -0.01 0.00 0.00 54.79 54.33 3in3 n ASP 193 Cb 0.59 -0.11 0.37 0.00 -1.03 0.00 0.00 41.12 40.95 3in3 n ASP 193 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3in3 h SER 194 N 0.00 0.00 -2.31 -1.12 4.64 -1.92 -3.42 113.55 109.43 3in3 h SER 194 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3in3 h SER 194 Cb 0.08 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.06 3in3 h SER 194 CO 0.00 0.00 0.90 -0.22 -0.87 0.00 0.00 176.83 176.64 3in3 s LEU 195 N -4.79 3.87 0.03 5.97 2.96 -1.10 -4.98 118.68 120.64 3in3 s LEU 195 Ca 0.10 -0.96 -0.34 0.00 -0.22 0.00 0.00 54.13 52.72 3in3 s LEU 195 Cb 0.11 -2.49 -0.12 0.00 0.50 0.00 0.00 46.19 44.19 3in3 s LEU 195 CO 0.60 -1.56 1.76 1.21 -1.32 0.00 0.00 176.35 177.04 3in3 n GLU 196 N 8.38 2.26 -1.31 1.98 2.13 -1.26 -4.90 120.64 127.93 3in3 n GLU 196 Ca 0.07 0.82 -0.32 0.00 0.66 0.00 0.00 57.16 58.39 3in3 n GLU 196 Cb 0.48 -2.65 0.09 0.00 0.27 0.00 0.00 31.44 29.63 3in3 n GLU 196 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3in3 s PRO 197 N 2.73 2.18 0.16 5.31 0.02 -1.26 -4.55 135.00 139.59 3in3 s PRO 197 Ca 0.86 1.33 -0.21 0.00 0.02 0.00 0.00 61.00 63.00 3in3 s PRO 197 Cb -0.65 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.04 3in3 s PRO 197 CO 0.44 -1.72 1.64 0.35 -0.33 0.00 0.00 177.00 177.38 3in3 h PHE 198 N -0.90 -0.51 -0.50 6.54 3.04 -1.82 -2.44 116.94 120.35 3in3 h PHE 198 Ca -0.45 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.51 3in3 h PHE 198 Cb 1.25 0.27 -0.02 0.00 2.56 0.00 0.00 35.95 40.00 3in3 h PHE 198 CO 0.55 -0.28 0.17 0.35 -2.02 0.00 0.00 178.31 177.08 3in3 h PHE 199 N -0.17 0.73 -0.33 0.41 3.57 -1.92 -0.36 116.94 118.87 3in3 h PHE 199 Ca 0.16 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3in3 h PHE 199 Cb 0.41 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3in3 h PHE 199 CO -0.39 0.59 0.18 -0.44 -2.23 0.00 0.00 178.31 176.03 3in3 h ASP 200 N 0.72 0.41 -0.65 0.41 3.32 -1.85 -1.09 116.42 117.69 3in3 h ASP 200 Ca 0.17 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3in3 h ASP 200 Cb 0.19 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3in3 h ASP 200 CO -0.01 0.38 0.42 0.28 -1.72 0.00 0.00 179.24 178.58 3in3 h SER 201 N 0.41 0.70 -0.16 6.45 0.02 -0.91 -0.73 113.55 119.33 3in3 h SER 201 Ca 0.12 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3in3 h SER 201 Cb 0.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3in3 h SER 201 CO -0.02 0.49 0.10 0.25 -1.14 0.00 0.00 176.83 176.52 3in3 h LEU 202 N 0.83 0.18 -0.41 5.07 5.85 -0.83 0.12 115.31 126.12 3in3 h LEU 202 Ca 0.25 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3in3 h LEU 202 Cb -0.03 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3in3 h LEU 202 CO -0.08 0.13 0.00 0.58 -0.34 0.00 0.00 178.44 178.73 3in3 h VAL 203 N 0.21 1.26 -0.46 1.05 2.07 -1.03 -1.14 116.25 118.21 3in3 h VAL 203 Ca 0.06 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 3in3 h VAL 203 Cb -0.02 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3in3 h VAL 203 CO -0.02 0.34 0.01 0.11 0.02 0.00 0.00 177.57 178.03 3in3 h LYS 204 N 0.55 0.75 0.00 1.57 1.57 -0.98 -3.25 116.57 116.78 3in3 h LYS 204 Ca 0.12 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3in3 h LYS 204 Cb 0.48 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3in3 h LYS 204 CO 0.02 0.75 -1.16 1.04 -0.57 0.00 0.00 179.45 179.53 3in3 n GLN 205 N -4.23 0.61 -4.69 3.15 6.02 0.02 -4.94 117.38 113.32 3in3 n GLN 205 Ca 0.02 0.14 -0.31 0.00 -0.01 0.00 0.00 57.00 56.84 3in3 n GLN 205 Cb 0.29 -1.81 -0.08 0.00 1.02 0.00 0.00 30.24 29.66 3in3 n GLN 205 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3in3 s THR 206 N -3.25 1.08 -1.22 5.09 -4.23 -0.44 -5.03 115.64 107.64 3in3 s THR 206 Ca -0.02 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.62 3in3 s THR 206 Cb 0.09 -2.27 0.52 0.00 1.34 0.00 0.00 72.50 72.18 3in3 s THR 206 CO 0.80 0.00 1.37 1.41 -0.54 0.00 0.00 174.62 177.67 3in3 n HIS 207 N -1.15 1.08 -1.92 3.99 8.25 -1.26 -4.71 115.22 119.50 3in3 n HIS 207 Ca -0.15 -0.43 -0.42 0.00 -0.26 0.00 0.00 57.72 56.46 3in3 n HIS 207 Cb 0.66 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.55 3in3 n HIS 207 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3in3 s VAL 208 N -1.78 3.06 0.43 1.59 1.01 -1.26 -4.94 120.40 118.51 3in3 s VAL 208 Ca 0.36 0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.59 3in3 s VAL 208 Cb 0.24 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 33.20 3in3 s VAL 208 CO 0.17 -0.01 1.08 -2.65 0.00 0.00 0.00 175.10 173.70 3in3 n PRO 209 N 5.73 1.48 -1.40 2.72 -0.02 -1.26 -4.67 135.00 137.57 3in3 n PRO 209 Ca 0.16 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 3in3 n PRO 209 Cb 0.41 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3in3 n PRO 209 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3in3 n ASN 210 N 0.35 3.81 -3.58 2.55 5.15 -1.26 -4.24 115.26 118.04 3in3 n ASN 210 Ca 0.09 -2.72 -0.13 0.00 -0.60 0.00 0.00 54.58 51.22 3in3 n ASN 210 Cb 0.40 -1.40 -0.06 0.00 -0.53 0.00 0.00 39.78 38.19 3in3 n ASN 210 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3in3 s LEU 211 N 1.49 -0.50 0.07 1.20 0.20 -1.26 -1.57 118.68 118.32 3in3 s LEU 211 Ca 0.52 0.67 -0.08 0.00 0.69 0.00 0.00 54.13 55.94 3in3 s LEU 211 Cb 0.14 2.10 -0.01 0.00 -0.43 0.00 0.00 46.19 48.00 3in3 s LEU 211 CO -0.00 -0.37 0.16 0.72 -0.29 0.00 0.00 176.35 176.58 3in3 s PHE 212 N -0.73 0.17 0.04 5.38 -0.12 -1.05 -0.31 117.98 121.38 3in3 s PHE 212 Ca -0.03 -0.58 0.02 0.00 -0.05 0.00 0.00 56.93 56.29 3in3 s PHE 212 Cb -0.02 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 3in3 s PHE 212 CO 0.02 -0.50 -0.07 -1.54 -0.05 0.00 0.00 175.22 173.08 3in3 s SER 213 N -2.71 0.77 -0.10 1.98 1.04 0.01 0.29 113.70 114.97 3in3 s SER 213 Ca 0.03 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.86 3in3 s SER 213 Cb 0.04 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.24 3in3 s SER 213 CO -0.10 -0.27 -0.12 -0.76 0.98 0.00 0.00 173.24 172.98 3in3 s LEU 214 N -1.77 1.52 -0.41 2.42 1.43 0.23 -1.19 118.68 120.91 3in3 s LEU 214 Ca -0.08 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3in3 s LEU 214 Cb -0.08 -0.93 0.11 0.00 0.03 0.00 0.00 46.19 45.32 3in3 s LEU 214 CO -0.01 -0.03 0.21 -1.58 0.23 0.00 0.00 176.35 175.17 3in3 s GLN 215 N 1.17 2.03 -0.18 1.70 0.74 0.27 -1.70 119.66 123.68 3in3 s GLN 215 Ca -0.04 -1.81 -0.14 0.00 0.05 0.00 0.00 55.36 53.42 3in3 s GLN 215 Cb -0.14 -3.60 -0.05 0.00 1.10 0.00 0.00 33.01 30.33 3in3 s GLN 215 CO -0.03 -1.07 0.29 -0.51 -0.55 0.00 0.00 175.29 173.42 3in3 s LEU 216 N 1.15 4.21 -0.05 3.68 1.43 -1.26 -0.46 118.68 127.38 3in3 s LEU 216 Ca 0.08 0.46 0.13 0.00 -1.03 0.00 0.00 54.13 53.76 3in3 s LEU 216 Cb -0.23 -2.36 -0.19 0.00 0.03 0.00 0.00 46.19 43.44 3in3 s LEU 216 CO -0.04 0.06 0.21 0.00 0.23 0.00 0.00 176.35 176.81 3in3 n GLY 218 N 1.90 -0.11 0.04 0.00 0.00 -1.23 -4.67 105.19 101.12 3in3 n GLY 218 Ca -0.09 -1.03 -0.04 0.00 0.00 0.00 0.00 46.02 44.87 3in3 n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in3 n ALA 219 N 5.54 0.35 -0.82 4.61 0.00 -1.26 -2.89 120.51 126.04 3in3 n ALA 219 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3in3 n ALA 219 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3in3 n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3in3 n GLY 220 N 1.50 -3.99 0.00 0.00 0.00 -1.26 -4.96 105.19 96.47 3in3 n GLY 220 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3in3 n GLY 220 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3in3 n PHE 221 N -0.36 0.00 -1.96 1.61 3.72 -1.26 -5.15 117.46 114.06 3in3 n PHE 221 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3in3 n PHE 221 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3in3 n PHE 221 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3in3 n VAL 228 N 0.00 -3.30 -1.65 -4.37 0.31 -1.26 -5.11 118.33 102.95 3in3 n VAL 228 Ca 0.00 0.80 -0.44 0.00 -0.01 0.00 0.00 64.34 64.69 3in3 n VAL 228 Cb 0.00 -2.36 -0.01 0.00 -0.91 0.00 0.00 33.84 30.56 3in3 n VAL 228 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3in3 n LEU 229 N 1.86 2.70 -4.75 7.52 4.77 -1.26 -4.90 117.00 122.95 3in3 n LEU 229 Ca 0.00 1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 56.75 3in3 n LEU 229 Cb 0.00 -1.39 -0.00 0.00 -2.33 0.00 0.00 43.42 39.70 3in3 n LEU 229 CO 0.00 -0.89 1.08 0.00 -1.33 0.00 0.00 177.39 176.25 3in3 n ALA 230 N 0.50 2.08 -2.09 -1.18 0.00 -1.26 -4.73 120.51 113.83 3in3 n ALA 230 Ca 0.08 0.35 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 3in3 n ALA 230 Cb 0.33 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.35 3in3 n ALA 230 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3in3 s SER 231 N -0.12 7.09 0.33 0.00 1.04 -1.26 -0.32 113.70 120.46 3in3 s SER 231 Ca 0.55 1.44 0.10 0.00 0.48 0.00 0.00 55.95 58.51 3in3 s SER 231 Cb -0.51 -2.43 -0.06 0.00 0.10 0.00 0.00 66.02 63.13 3in3 s SER 231 CO 0.62 0.05 -0.06 0.68 0.98 0.00 0.00 173.24 175.51 3in3 s VAL 232 N -1.48 2.47 0.19 5.02 -7.23 0.38 -4.43 120.40 115.32 3in3 s VAL 232 Ca 0.42 -2.13 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 3in3 s VAL 232 Cb -0.17 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 3in3 s VAL 232 CO 0.21 -0.23 0.11 -0.83 -0.31 0.00 0.00 175.10 174.06 3in3 s GLY 233 N -3.64 1.39 0.00 2.32 0.00 -1.14 -2.32 107.32 103.93 3in3 s GLY 233 Ca 0.33 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.37 3in3 s GLY 233 CO 0.18 -1.41 0.00 0.61 0.00 0.00 0.00 173.10 172.48 3in3 n GLY 234 N -0.26 -1.24 2.93 0.20 0.00 -1.10 -1.55 105.19 104.18 3in3 n GLY 234 Ca 0.01 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 3in3 n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3in3 s SER 235 N -2.91 0.66 -0.28 1.61 0.01 0.39 -1.70 113.70 111.48 3in3 s SER 235 Ca 0.00 -0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.14 3in3 s SER 235 Cb 0.00 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.09 3in3 s SER 235 CO 0.00 0.02 -0.01 -0.32 0.41 0.00 0.00 173.24 173.34 3in3 s MET 236 N 0.24 2.78 -0.35 12.44 0.00 -1.26 -0.57 119.30 132.58 3in3 s MET 236 Ca -0.03 -1.03 -0.13 0.00 0.00 0.00 0.00 55.69 54.50 3in3 s MET 236 Cb -0.06 -3.15 -0.01 0.00 0.00 0.00 0.00 34.83 31.61 3in3 s MET 236 CO -0.00 -0.48 0.26 0.42 0.00 0.00 0.00 175.02 175.22 3in3 s ILE 237 N 1.35 5.27 -0.23 10.11 -1.09 -0.33 -4.88 121.20 131.41 3in3 s ILE 237 Ca -0.01 -0.28 -0.11 0.00 -2.23 0.00 0.00 60.65 58.03 3in3 s ILE 237 Cb -0.18 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 3in3 s ILE 237 CO -0.02 -0.07 0.18 -0.63 -1.23 0.00 0.00 174.94 173.17 3in3 s ILE 238 N 1.74 5.35 0.00 2.92 1.01 -1.26 -0.81 121.20 130.15 3in3 s ILE 238 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.95 3in3 s ILE 238 Cb -0.18 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.78 3in3 s ILE 238 CO 0.11 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3in3 n GLY 239 N 4.10 0.80 0.00 6.18 0.00 0.58 -4.81 105.19 112.04 3in3 n GLY 239 Ca -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3in3 n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3in3 n GLY 240 N -2.38 -1.33 3.18 -0.02 0.00 -1.25 -4.44 105.19 98.94 3in3 n GLY 240 Ca 0.00 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 3in3 n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3in3 s ILE 241 N -2.53 2.12 -0.46 -0.61 1.01 -1.26 -4.39 121.20 115.09 3in3 s ILE 241 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 3in3 s ILE 241 Cb 0.00 -1.85 0.05 0.00 0.01 0.00 0.00 42.46 40.67 3in3 s ILE 241 CO 0.00 0.55 0.42 -0.62 0.00 0.00 0.00 174.94 175.28 3in3 s ASP 242 N 0.80 6.16 0.15 3.58 3.68 -1.26 -4.96 116.67 124.81 3in3 s ASP 242 Ca -0.07 -1.08 0.17 0.00 2.13 0.00 0.00 52.55 53.69 3in3 s ASP 242 Cb -0.16 -2.20 0.74 0.00 -1.45 0.00 0.00 42.92 39.85 3in3 s ASP 242 CO -0.01 -0.63 1.51 1.41 0.13 0.00 0.00 175.17 177.57 3in3 n HIS 243 N 5.40 0.41 0.82 -5.34 8.25 -1.26 -1.68 115.22 121.82 3in3 n HIS 243 Ca -0.11 0.18 0.13 0.00 -0.26 0.00 0.00 57.72 57.67 3in3 n HIS 243 Cb 0.45 -0.78 0.52 0.00 1.12 0.00 0.00 29.99 31.30 3in3 n HIS 243 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3in3 n SER 244 N -1.89 0.37 -0.11 0.41 3.41 -1.26 -3.51 113.62 111.04 3in3 n SER 244 Ca 0.02 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 3in3 n SER 244 Cb 0.14 -0.63 0.48 0.00 -0.26 0.00 0.00 64.21 63.93 3in3 n SER 244 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3in3 n LEU 245 N -1.85 0.56 -4.06 1.04 4.77 -0.67 -4.79 117.00 112.00 3in3 n LEU 245 Ca 0.06 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 3in3 n LEU 245 Cb 0.38 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3in3 n LEU 245 CO 0.28 0.11 -0.11 -0.72 -1.33 0.00 0.00 177.39 175.63 3in3 s TYR 246 N -2.66 0.65 0.11 -1.77 1.13 -1.23 -0.84 117.35 112.74 3in3 s TYR 246 Ca 0.22 -0.99 0.07 0.00 -1.41 0.00 0.00 57.07 54.96 3in3 s TYR 246 Cb 0.19 -0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.79 3in3 s TYR 246 CO 0.54 -0.69 -0.16 0.95 -2.51 0.00 0.00 175.55 173.68 3in3 s THR 247 N -4.03 1.45 0.00 -3.49 -4.23 -0.71 -4.82 115.64 99.80 3in3 s THR 247 Ca 0.23 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3in3 s THR 247 Cb 0.05 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.41 3in3 s THR 247 CO 0.04 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 3in3 n GLY 248 N 0.82 -0.66 3.84 3.99 0.00 -1.26 -3.69 105.19 108.23 3in3 n GLY 248 Ca -0.18 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 3in3 n GLY 248 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3in3 s SER 249 N -4.00 6.84 -0.24 1.61 0.01 -1.26 -4.96 113.70 111.70 3in3 s SER 249 Ca 0.00 1.12 -0.20 0.00 1.31 0.00 0.00 55.95 58.19 3in3 s SER 249 Cb 0.00 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 3in3 s SER 249 CO 0.00 0.06 0.59 -0.76 0.41 0.00 0.00 173.24 173.54 3in3 s LEU 250 N -2.08 4.09 -0.13 2.44 1.43 -1.26 -4.40 118.68 118.76 3in3 s LEU 250 Ca 0.40 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 54.16 3in3 s LEU 250 Cb -0.15 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 3in3 s LEU 250 CO 0.20 -0.31 -0.03 0.26 0.23 0.00 0.00 176.35 176.70 3in3 s TRP 251 N 2.23 3.04 -0.10 0.29 0.52 -0.05 -4.89 118.94 119.98 3in3 s TRP 251 Ca 0.25 -0.15 -0.02 0.00 0.02 0.00 0.00 56.10 56.20 3in3 s TRP 251 Cb -0.16 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 3in3 s TRP 251 CO 0.09 0.12 -0.02 0.71 0.02 0.00 0.00 176.95 177.87 3in3 s TYR 252 N -0.04 3.09 0.00 -1.98 1.51 -1.26 -0.89 117.35 117.78 3in3 s TYR 252 Ca 0.02 0.06 0.07 0.00 -1.01 0.00 0.00 57.07 56.20 3in3 s TYR 252 Cb -0.13 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 3in3 s TYR 252 CO 0.02 0.33 -0.22 -0.08 -1.11 0.00 0.00 175.55 174.50 3in3 s THR 253 N -0.57 2.45 0.43 -0.71 -1.32 -0.16 -3.47 115.64 112.30 3in3 s THR 253 Ca 0.09 -1.10 -0.24 0.00 -1.21 0.00 0.00 61.69 59.23 3in3 s THR 253 Cb -0.12 -1.94 -0.08 0.00 -1.51 0.00 0.00 72.50 68.85 3in3 s THR 253 CO 0.02 0.48 1.22 -2.84 -2.21 0.00 0.00 174.62 171.29 3in3 s PRO 254 N -0.96 3.85 -0.43 7.08 0.02 -1.26 -0.43 135.00 142.88 3in3 s PRO 254 Ca 0.12 1.93 -0.28 0.00 0.02 0.00 0.00 61.00 62.78 3in3 s PRO 254 Cb -0.10 -2.57 0.03 0.00 0.02 0.00 0.00 34.50 31.88 3in3 s PRO 254 CO 0.01 -0.52 1.09 0.42 -0.33 0.00 0.00 177.00 177.67 3in3 s ILE 255 N -1.41 4.33 0.29 2.83 1.01 -0.40 -4.57 121.20 123.28 3in3 s ILE 255 Ca 0.61 1.30 0.01 0.00 0.00 0.00 0.00 60.65 62.57 3in3 s ILE 255 Cb -0.33 -4.53 0.12 0.00 0.01 0.00 0.00 42.46 37.74 3in3 s ILE 255 CO 0.41 -0.83 1.80 -0.09 0.00 0.00 0.00 174.94 176.22 3in3 h ARG 256 N 8.88 0.64 -2.10 2.79 2.43 -1.31 -3.45 114.38 122.26 3in3 h ARG 256 Ca -0.22 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 58.72 3in3 h ARG 256 Cb 1.06 -0.08 -0.21 0.00 -0.42 0.00 0.00 29.97 30.33 3in3 h ARG 256 CO 1.09 0.69 0.09 0.50 -1.51 0.00 0.00 179.97 180.83 3in3 s ARG 257 N -4.90 0.83 -1.22 0.20 3.52 -1.26 -5.07 118.95 111.05 3in3 s ARG 257 Ca -0.08 0.83 -0.15 0.00 -0.13 0.00 0.00 55.73 56.19 3in3 s ARG 257 Cb 0.15 0.40 0.15 0.00 -1.56 0.00 0.00 34.95 34.09 3in3 s ARG 257 CO 0.79 -0.13 1.49 -1.21 -0.81 0.00 0.00 175.30 175.43 3in3 s GLU 258 N 0.10 4.05 0.00 5.12 2.02 -1.26 -3.97 118.70 124.77 3in3 s GLU 258 Ca -0.02 -2.42 0.00 0.00 0.02 0.00 0.00 54.97 52.55 3in3 s GLU 258 Cb -0.04 -5.17 0.00 0.00 0.10 0.00 0.00 34.13 29.02 3in3 s GLU 258 CO 0.02 -1.88 0.00 -2.67 0.02 0.00 0.00 175.26 170.75 3in3 n TRP 259 N 6.31 0.00 -1.39 1.61 4.27 -1.26 -4.56 117.44 122.43 3in3 n TRP 259 Ca 0.39 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.71 3in3 n TRP 259 Cb 0.44 0.00 0.16 0.00 -1.36 0.00 0.00 31.31 30.55 3in3 n TRP 259 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3in3 s TYR 260 N 0.00 2.23 -1.21 -2.67 2.02 -1.26 -1.31 117.35 115.15 3in3 s TYR 260 Ca 0.00 0.86 -0.20 0.00 -0.37 0.00 0.00 57.07 57.36 3in3 s TYR 260 Cb 0.00 -3.37 0.05 0.00 -0.40 0.00 0.00 41.96 38.24 3in3 s TYR 260 CO 0.00 -2.67 1.69 0.71 -1.57 0.00 0.00 175.55 173.71 3in3 s TYR 261 N -3.17 2.64 0.02 2.71 1.51 -1.26 -4.82 117.35 114.98 3in3 s TYR 261 Ca 0.65 -1.24 -0.26 0.00 -1.01 0.00 0.00 57.07 55.21 3in3 s TYR 261 Cb -0.16 -4.68 -0.05 0.00 -0.11 0.00 0.00 41.96 36.97 3in3 s TYR 261 CO 0.55 -1.80 0.81 -2.00 -1.11 0.00 0.00 175.55 172.00 3in3 s GLU 262 N 4.63 4.52 0.41 -0.62 2.12 -1.25 -1.81 118.70 126.70 3in3 s GLU 262 Ca 0.53 1.13 0.05 0.00 0.36 0.00 0.00 54.97 57.04 3in3 s GLU 262 Cb 0.02 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 3in3 s GLU 262 CO 0.04 0.17 0.17 0.14 -0.54 0.00 0.00 175.26 175.23 3in3 s VAL 263 N 0.32 0.43 -0.10 3.70 -7.23 0.19 -0.85 120.40 116.87 3in3 s VAL 263 Ca 0.42 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 3in3 s VAL 263 Cb -0.20 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.44 3in3 s VAL 263 CO 0.24 0.00 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.26 3in3 s ILE 264 N -3.21 1.35 -0.19 -0.62 -1.09 -1.26 -3.93 121.20 112.24 3in3 s ILE 264 Ca 0.25 -0.55 -0.10 0.00 -2.23 0.00 0.00 60.65 58.02 3in3 s ILE 264 Cb 0.02 -1.25 -0.05 0.00 -1.58 0.00 0.00 42.46 39.59 3in3 s ILE 264 CO 0.17 0.41 0.14 -0.63 -1.23 0.00 0.00 174.94 173.80 3in3 s ILE 265 N 1.05 5.41 -0.37 2.92 1.01 -1.26 -1.52 121.20 128.43 3in3 s ILE 265 Ca -0.06 0.21 0.17 0.00 0.00 0.00 0.00 60.65 60.96 3in3 s ILE 265 Cb -0.15 -3.47 -0.22 0.00 0.01 0.00 0.00 42.46 38.63 3in3 s ILE 265 CO -0.02 0.45 0.52 1.33 0.00 0.00 0.00 174.94 177.22 3in3 n VAL 266 N 3.41 0.00 -3.60 2.92 0.24 0.67 -4.70 118.33 117.28 3in3 n VAL 266 Ca -0.16 -0.26 -0.04 0.00 -2.04 0.00 0.00 64.34 61.84 3in3 n VAL 266 Cb 0.52 0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 33.41 3in3 n VAL 266 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3in3 s ARG 267 N -2.87 0.40 0.00 7.34 1.70 -1.23 -4.74 118.95 119.56 3in3 s ARG 267 Ca -0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.09 3in3 s ARG 267 Cb 0.11 0.17 -0.00 0.00 -0.57 0.00 0.00 34.95 34.66 3in3 s ARG 267 CO 0.68 -0.18 -0.01 0.14 -1.08 0.00 0.00 175.30 174.85 3in3 s VAL 268 N -2.52 0.08 0.05 4.99 -7.23 -1.26 -0.86 120.40 113.64 3in3 s VAL 268 Ca 0.10 -0.20 0.07 0.00 -1.81 0.00 0.00 61.98 60.14 3in3 s VAL 268 Cb 0.00 -0.11 -0.03 0.00 0.56 0.00 0.00 36.38 36.81 3in3 s VAL 268 CO -0.05 -0.08 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.85 3in3 s GLU 269 N -0.30 1.30 -0.19 4.82 2.02 -0.57 -1.66 118.70 124.12 3in3 s GLU 269 Ca -0.03 -0.94 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 3in3 s GLU 269 Cb -0.02 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 32.79 3in3 s GLU 269 CO -0.00 0.36 -0.12 0.42 0.02 0.00 0.00 175.26 175.94 3in3 s ILE 270 N -0.85 2.83 -1.45 -1.63 -1.09 -0.55 -1.12 121.20 117.34 3in3 s ILE 270 Ca 0.07 -0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 57.79 3in3 s ILE 270 Cb -0.09 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.55 3in3 s ILE 270 CO 0.02 0.48 0.28 0.59 -1.23 0.00 0.00 174.94 175.08 3in3 n ASN 271 N 4.51 -0.04 0.00 3.58 4.13 -0.07 -0.77 115.26 126.61 3in3 n ASN 271 Ca -0.19 -1.11 0.00 0.00 1.68 0.00 0.00 54.58 54.96 3in3 n ASN 271 Cb 0.51 -2.51 0.00 0.00 -1.54 0.00 0.00 39.78 36.24 3in3 n ASN 271 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3in3 n GLY 272 N -2.20 0.93 3.55 7.41 0.00 -1.26 -4.98 105.19 108.64 3in3 n GLY 272 Ca -0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 3in3 n GLY 272 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3in3 s GLN 273 N -0.26 3.63 0.19 1.61 2.00 0.05 -5.01 119.66 121.87 3in3 s GLN 273 Ca 0.00 -0.52 -0.32 0.00 -2.00 0.00 0.00 55.36 52.53 3in3 s GLN 273 Cb 0.00 -3.77 -0.12 0.00 0.80 0.00 0.00 33.01 29.93 3in3 s GLN 273 CO 0.00 -0.38 1.72 0.34 -0.50 0.00 0.00 175.29 176.46 3in3 s ASP 274 N 1.73 6.41 0.46 6.67 3.68 -1.26 -1.49 116.67 132.87 3in3 s ASP 274 Ca 0.07 2.82 0.31 0.00 2.13 0.00 0.00 52.55 57.89 3in3 s ASP 274 Cb -0.17 -2.60 1.34 0.00 -1.45 0.00 0.00 42.92 40.05 3in3 s ASP 274 CO 0.11 -0.96 1.92 -0.07 0.13 0.00 0.00 175.17 176.30 3in3 h LEU 275 N 7.01 0.00 -1.10 -1.34 3.38 -1.71 -3.47 115.31 118.08 3in3 h LEU 275 Ca -0.43 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.16 3in3 h LEU 275 Cb 1.20 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.10 3in3 h LEU 275 CO 0.95 0.00 -0.71 0.29 0.09 0.00 0.00 178.44 179.06 3in3 n LYS 276 N -2.77 -7.57 -4.03 1.13 5.02 -1.26 -5.01 118.16 103.66 3in3 n LYS 276 Ca 0.01 0.83 -0.29 0.00 -2.02 0.00 0.00 58.31 56.85 3in3 n LYS 276 Cb 0.24 -5.88 -0.05 0.00 -0.02 0.00 0.00 35.03 29.32 3in3 n LYS 276 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3in3 s MET 277 N -6.03 3.02 0.16 1.97 -1.94 -1.26 -5.06 119.30 110.16 3in3 s MET 277 Ca 0.41 -0.71 -0.34 0.00 -1.71 0.00 0.00 55.69 53.34 3in3 s MET 277 Cb -0.18 -2.76 -0.15 0.00 2.01 0.00 0.00 34.83 33.75 3in3 s MET 277 CO 0.73 0.54 1.48 -3.47 -0.01 0.00 0.00 175.02 174.29 3in3 n ASP 278 N 0.04 2.63 0.20 3.03 -0.08 -1.26 -4.83 116.55 116.28 3in3 n ASP 278 Ca -0.08 1.10 0.14 0.00 -1.51 0.00 0.00 54.79 54.45 3in3 n ASP 278 Cb 0.53 -1.36 0.63 0.00 2.34 0.00 0.00 41.12 43.26 3in3 n ASP 278 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3in3 h LYS 280 N 0.00 0.16 -0.37 0.00 1.57 -1.80 -2.35 116.57 113.78 3in3 h LYS 280 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3in3 h LYS 280 Cb 0.32 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3in3 h LYS 280 CO 0.00 0.11 0.04 0.93 -0.57 0.00 0.00 179.45 179.96 3in3 h GLU 281 N 0.17 0.57 0.00 3.15 4.39 -1.53 -2.34 114.58 118.98 3in3 h GLU 281 Ca 0.08 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3in3 h GLU 281 Cb 0.12 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3in3 h GLU 281 CO -0.01 0.56 -0.11 1.88 -1.16 0.00 0.00 179.01 180.16 3in3 h TYR 282 N 0.55 0.00 -0.30 4.33 0.05 -1.58 -3.13 116.97 116.89 3in3 h TYR 282 Ca 0.12 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.69 3in3 h TYR 282 Cb 0.29 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 37.87 3in3 h TYR 282 CO 0.01 0.11 -0.57 0.09 -1.05 0.00 0.00 178.16 176.76 3in3 n ASN 283 N -3.36 2.96 -4.32 3.88 3.02 -0.90 -4.36 115.26 112.17 3in3 n ASN 283 Ca -0.01 -3.85 -0.41 0.00 -0.03 0.00 0.00 54.58 50.29 3in3 n ASN 283 Cb 0.31 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 38.90 3in3 n ASN 283 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3in3 s TYR 284 N -3.37 3.29 -2.32 3.10 6.14 -1.09 -0.70 117.35 122.39 3in3 s TYR 284 Ca 0.43 -1.26 0.21 0.00 0.64 0.00 0.00 57.07 57.10 3in3 s TYR 284 Cb 0.39 -2.80 0.36 0.00 0.42 0.00 0.00 41.96 40.32 3in3 s TYR 284 CO -0.03 -0.77 1.32 -0.40 0.64 0.00 0.00 175.55 176.31 3in3 n ASP 285 N 4.98 3.25 -3.67 4.32 5.75 -1.26 -3.54 116.55 126.37 3in3 n ASP 285 Ca -0.11 -1.95 -0.04 0.00 -0.01 0.00 0.00 54.79 52.69 3in3 n ASP 285 Cb 0.44 -0.20 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 3in3 n ASP 285 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3in3 s LYS 286 N -1.46 0.95 -0.04 0.11 -2.85 0.12 -4.62 119.74 111.95 3in3 s LYS 286 Ca 0.34 -0.49 0.02 0.00 -1.00 0.00 0.00 55.97 54.84 3in3 s LYS 286 Cb 0.20 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 36.33 3in3 s LYS 286 CO 0.29 -0.43 -0.09 -1.12 0.10 0.00 0.00 175.35 174.09 3in3 s SER 287 N -2.82 1.38 0.10 0.03 0.01 -1.25 -0.60 113.70 110.54 3in3 s SER 287 Ca 0.11 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.18 3in3 s SER 287 Cb -0.00 -0.55 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 3in3 s SER 287 CO -0.01 0.03 -0.08 0.27 0.41 0.00 0.00 173.24 173.85 3in3 s ILE 288 N 0.54 0.85 -0.29 1.44 -4.36 -0.59 -0.64 121.20 118.15 3in3 s ILE 288 Ca -0.10 -1.80 -0.09 0.00 -0.26 0.00 0.00 60.65 58.40 3in3 s ILE 288 Cb -0.13 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 3in3 s ILE 288 CO 0.02 -0.71 0.14 -0.69 0.24 0.00 0.00 174.94 173.93 3in3 s VAL 289 N -3.03 4.68 -0.28 8.37 1.01 -0.75 -0.93 120.40 129.46 3in3 s VAL 289 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 3in3 s VAL 289 Cb 0.01 -3.30 0.09 0.00 0.00 0.00 0.00 36.38 33.18 3in3 s VAL 289 CO -0.02 0.17 0.10 -0.62 0.00 0.00 0.00 175.10 174.74 3in3 s ASP 290 N 1.65 3.65 0.17 3.32 2.15 -0.48 -4.55 116.67 122.59 3in3 s ASP 290 Ca 0.06 -1.37 0.19 0.00 0.43 0.00 0.00 52.55 51.85 3in3 s ASP 290 Cb -0.16 -0.60 0.83 0.00 -0.30 0.00 0.00 42.92 42.69 3in3 s ASP 290 CO 0.07 -0.41 1.58 -1.54 -0.17 0.00 0.00 175.17 174.70 3in3 n SER 291 N 5.05 0.42 -1.20 -0.34 3.41 -1.26 -2.16 113.62 117.53 3in3 n SER 291 Ca -0.05 0.62 0.06 0.00 -0.26 0.00 0.00 58.87 59.25 3in3 n SER 291 Cb 0.43 -0.70 0.25 0.00 -0.26 0.00 0.00 64.21 63.93 3in3 n SER 291 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3in3 n GLY 292 N -0.26 1.96 3.11 5.00 0.00 -1.26 -4.59 105.19 109.14 3in3 n GLY 292 Ca 0.02 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 3in3 n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3in3 s THR 293 N -1.77 1.44 -0.02 2.61 2.01 -0.92 -5.01 115.64 113.97 3in3 s THR 293 Ca 0.36 -0.68 -0.25 0.00 0.31 0.00 0.00 61.69 61.42 3in3 s THR 293 Cb 0.23 -1.26 -0.19 0.00 0.01 0.00 0.00 72.50 71.29 3in3 s THR 293 CO 0.17 0.42 1.18 0.74 -0.69 0.00 0.00 174.62 176.44 3in3 h THR 294 N 5.61 1.19 -3.74 -0.82 2.02 -1.86 0.40 112.91 115.72 3in3 h THR 294 Ca -0.29 -1.08 -0.47 0.00 0.77 0.00 0.00 66.41 65.34 3in3 h THR 294 Cb 1.19 1.88 0.06 0.00 -1.74 0.00 0.00 68.15 69.55 3in3 h THR 294 CO 0.47 0.26 0.21 0.20 0.37 0.00 0.00 175.52 177.03 3in3 s ASN 295 N -5.57 5.32 -0.34 4.18 -0.87 -1.26 -1.73 114.94 114.67 3in3 s ASN 295 Ca -0.15 0.65 -0.27 0.00 -1.57 0.00 0.00 52.86 51.52 3in3 s ASN 295 Cb 0.01 -1.52 0.01 0.00 -0.02 0.00 0.00 41.25 39.74 3in3 s ASN 295 CO 0.62 -1.26 0.97 -0.22 -2.57 0.00 0.00 177.10 174.64 3in3 s LEU 296 N -5.10 3.97 -0.14 0.60 2.96 -0.81 -2.54 118.68 117.62 3in3 s LEU 296 Ca 0.56 0.79 -0.05 0.00 -0.22 0.00 0.00 54.13 55.22 3in3 s LEU 296 Cb -0.11 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 3in3 s LEU 296 CO 0.45 -0.84 0.02 -0.13 -1.32 0.00 0.00 176.35 174.54 3in3 s ARG 297 N 3.49 3.55 0.03 1.98 0.52 -0.10 -1.75 118.95 126.67 3in3 s ARG 297 Ca 0.41 -0.40 0.06 0.00 -0.52 0.00 0.00 55.73 55.28 3in3 s ARG 297 Cb -0.12 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 3in3 s ARG 297 CO 0.17 0.43 -0.18 -0.51 0.02 0.00 0.00 175.30 175.23 3in3 s LEU 298 N -0.12 2.15 0.56 2.53 1.43 -0.18 -0.74 118.68 124.31 3in3 s LEU 298 Ca 0.05 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.49 3in3 s LEU 298 Cb -0.12 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 45.22 3in3 s LEU 298 CO 0.02 0.12 1.03 -2.65 0.23 0.00 0.00 176.35 175.10 3in3 n PRO 299 N 2.00 1.11 -0.26 1.29 -0.02 -1.26 -0.40 135.00 137.45 3in3 n PRO 299 Ca -0.17 0.42 -0.06 0.00 -2.02 0.00 0.00 63.50 61.66 3in3 n PRO 299 Cb 0.54 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 3in3 n PRO 299 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3in3 h LYS 300 N 0.83 -0.14 -0.82 -0.52 3.64 -1.92 0.36 116.57 118.00 3in3 h LYS 300 Ca -0.48 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.97 3in3 h LYS 300 Cb 1.35 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.14 3in3 h LYS 300 CO 0.53 -0.09 0.50 -0.22 -2.27 0.00 0.00 179.45 177.90 3in3 h LYS 301 N -0.15 0.89 -0.16 1.90 3.64 -1.94 -1.57 116.57 119.19 3in3 h LYS 301 Ca 0.22 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.35 3in3 h LYS 301 Cb 0.56 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3in3 h LYS 301 CO -0.78 0.59 -0.67 0.28 -2.27 0.00 0.00 179.45 176.60 3in3 h VAL 302 N 0.92 1.30 -0.01 2.00 2.07 -1.44 -2.87 116.25 118.22 3in3 h VAL 302 Ca 0.36 -1.89 0.03 0.00 0.82 0.00 0.00 66.70 66.01 3in3 h VAL 302 Cb 0.17 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3in3 h VAL 302 CO -0.17 0.59 -0.18 0.15 0.02 0.00 0.00 177.57 177.98 3in3 h PHE 303 N 0.44 -0.48 -0.60 1.57 3.04 0.00 0.43 116.94 121.34 3in3 h PHE 303 Ca -0.04 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.98 3in3 h PHE 303 Cb 1.30 0.22 -0.05 0.00 2.56 0.00 0.00 35.95 39.97 3in3 h PHE 303 CO 0.09 -0.27 0.32 0.93 -2.02 0.00 0.00 178.31 177.37 3in3 h GLU 304 N -0.30 0.59 -0.60 1.11 5.08 -1.34 -0.48 114.58 118.63 3in3 h GLU 304 Ca 0.06 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3in3 h GLU 304 Cb 0.37 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3in3 h GLU 304 CO -0.18 0.39 0.01 0.00 -1.00 0.00 0.00 179.01 178.23 3in3 h ALA 305 N 1.31 0.87 -0.23 3.43 0.00 -1.26 -1.96 119.26 121.43 3in3 h ALA 305 Ca 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3in3 h ALA 305 Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3in3 h ALA 305 CO -0.17 0.66 0.10 0.00 0.00 0.00 0.00 179.25 179.85 3in3 h ALA 306 N 1.03 0.30 -0.53 0.00 0.00 -0.24 -2.56 119.26 117.26 3in3 h ALA 306 Ca 0.17 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3in3 h ALA 306 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3in3 h ALA 306 CO 0.03 -0.13 -0.11 -0.39 0.00 0.00 0.00 179.25 178.65 3in3 h VAL 307 N 0.23 1.27 -0.61 0.00 -1.51 -1.00 -0.28 116.25 114.35 3in3 h VAL 307 Ca 0.08 -1.26 0.09 0.00 -1.23 0.00 0.00 66.70 64.38 3in3 h VAL 307 Cb 0.14 0.97 -0.07 0.00 -2.13 0.00 0.00 31.29 30.21 3in3 h VAL 307 CO -0.01 0.44 0.24 0.50 -1.23 0.00 0.00 177.57 177.52 3in3 h LYS 308 N 0.88 0.43 -0.23 5.19 3.64 -1.34 0.35 116.57 125.49 3in3 h LYS 308 Ca 0.14 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 3in3 h LYS 308 Cb 0.66 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3in3 h LYS 308 CO 0.05 0.28 -0.22 1.03 -2.27 0.00 0.00 179.45 178.32 3in3 h SER 309 N 0.44 0.59 -0.80 4.20 0.87 -1.06 -2.04 113.55 115.76 3in3 h SER 309 Ca 0.30 -0.47 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 3in3 h SER 309 Cb 0.35 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3in3 h SER 309 CO -0.28 0.94 0.32 0.40 -0.53 0.00 0.00 176.83 177.69 3in3 h ILE 310 N 0.25 1.26 -0.39 2.23 2.04 -0.74 -1.16 117.51 121.01 3in3 h ILE 310 Ca 0.04 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.09 3in3 h ILE 310 Cb 0.78 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3in3 h ILE 310 CO 0.06 0.34 0.24 0.11 0.00 0.00 0.00 178.15 178.89 3in3 h LYS 311 N 1.16 0.47 -0.69 2.37 1.57 -0.22 -2.17 116.57 119.06 3in3 h LYS 311 Ca 0.27 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3in3 h LYS 311 Cb 0.21 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3in3 h LYS 311 CO -0.02 0.31 0.21 0.00 -0.57 0.00 0.00 179.45 179.38 3in3 h ALA 312 N 1.16 0.90 -0.43 3.86 0.00 -1.08 -2.04 119.26 121.64 3in3 h ALA 312 Ca 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3in3 h ALA 312 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3in3 h ALA 312 CO -0.06 0.58 0.14 0.00 0.00 0.00 0.00 179.25 179.91 3in3 h ALA 313 N 1.09 1.44 -0.63 0.00 0.00 -0.96 -2.49 119.26 117.71 3in3 h ALA 313 Ca 0.22 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3in3 h ALA 313 Cb 0.31 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 3in3 h ALA 313 CO -0.01 0.42 0.23 -1.13 0.00 0.00 0.00 179.25 178.76 3in3 n SER 314 N -4.34 3.95 -0.22 0.00 3.41 -0.84 -4.74 113.62 110.84 3in3 n SER 314 Ca 0.03 -3.40 0.01 0.00 -0.26 0.00 0.00 58.87 55.25 3in3 n SER 314 Cb 0.17 -0.71 0.12 0.00 -0.26 0.00 0.00 64.21 63.54 3in3 n SER 314 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3in3 h SER 315 N 1.83 0.25 -2.00 4.04 4.64 -0.89 -3.36 113.55 118.06 3in3 h SER 315 Ca 0.29 0.08 -0.62 0.00 -0.47 0.00 0.00 61.79 61.07 3in3 h SER 315 Cb 2.16 0.06 0.02 0.00 -0.31 0.00 0.00 62.40 64.32 3in3 h SER 315 CO 0.66 0.14 1.10 0.35 -0.87 0.00 0.00 176.83 178.21 3in3 n THR 316 N -4.98 0.58 -0.03 2.95 -2.24 -1.26 -4.25 114.28 105.05 3in3 n THR 316 Ca 0.10 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3in3 n THR 316 Cb 0.29 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 3in3 n THR 316 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3in3 n GLU 317 N 6.65 0.00 -5.05 -0.78 2.13 -1.26 -5.07 120.64 117.25 3in3 n GLU 317 Ca 0.23 0.03 -0.30 0.00 0.66 0.00 0.00 57.16 57.78 3in3 n GLU 317 Cb 0.29 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.85 3in3 n GLU 317 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3in3 s LYS 318 N -4.10 1.86 0.18 5.31 -0.14 -1.26 -4.97 119.74 116.62 3in3 s LYS 318 Ca 0.00 -0.96 0.11 0.00 -1.36 0.00 0.00 55.97 53.75 3in3 s LYS 318 Cb 0.00 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 3in3 s LYS 318 CO 0.00 0.51 -0.23 -0.06 -0.76 0.00 0.00 175.35 174.81 3in3 s PHE 319 N -0.68 2.18 0.40 3.18 0.40 -1.26 -5.13 117.98 117.07 3in3 s PHE 319 Ca 0.10 -0.38 -0.25 0.00 -0.60 0.00 0.00 56.93 55.79 3in3 s PHE 319 Cb -0.10 -1.10 -0.08 0.00 0.51 0.00 0.00 43.02 42.25 3in3 s PHE 319 CO 0.00 0.43 1.15 -1.25 0.70 0.00 0.00 175.22 176.26 3in3 s PRO 320 N -2.58 4.08 0.00 0.24 0.04 -1.26 -4.91 135.00 130.61 3in3 s PRO 320 Ca 0.18 1.79 0.17 0.00 0.04 0.00 0.00 61.00 63.18 3in3 s PRO 320 Cb -0.08 -2.66 0.93 0.00 0.04 0.00 0.00 34.50 32.72 3in3 s PRO 320 CO 0.08 -0.28 1.46 -0.40 0.04 0.00 0.00 177.00 177.90 3in3 n ASP 321 N 0.07 0.00 0.07 6.66 5.75 -1.26 -0.23 116.55 127.61 3in3 n ASP 321 Ca 0.04 -0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 3in3 n ASP 321 Cb 0.47 -0.15 0.31 0.00 -1.03 0.00 0.00 41.12 40.72 3in3 n ASP 321 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3in3 h GLY 322 N 2.71 0.38 0.55 6.12 0.00 -1.94 -0.62 103.07 110.27 3in3 h GLY 322 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3in3 h GLY 322 CO 0.00 0.24 -0.01 -2.75 0.00 0.00 0.00 176.54 174.02 3in3 h PHE 323 N 0.33 0.03 0.00 5.60 3.57 -0.76 -2.33 116.94 123.37 3in3 h PHE 323 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3in3 h PHE 323 Cb 0.47 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3in3 h PHE 323 CO 0.01 0.48 0.00 -1.49 -2.23 0.00 0.00 178.31 175.08 3in3 h TRP 324 N -0.43 0.00 -0.18 0.41 4.06 -1.53 -0.75 115.95 117.53 3in3 h TRP 324 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3in3 h TRP 324 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 3in3 h TRP 324 CO 0.09 0.00 0.00 1.28 -3.56 0.00 0.00 178.44 176.25 3in3 n LEU 325 N -3.05 1.99 -0.74 -4.49 4.77 -0.25 -4.95 117.00 110.28 3in3 n LEU 325 Ca -0.02 -0.81 -0.08 0.00 -0.03 0.00 0.00 56.01 55.07 3in3 n LEU 325 Cb 0.15 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3in3 n LEU 325 CO 0.22 0.41 -0.09 0.61 -1.33 0.00 0.00 177.39 177.21 3in3 n GLY 326 N 1.20 0.60 0.00 -0.72 0.00 -0.29 -4.88 105.19 101.11 3in3 n GLY 326 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3in3 n GLY 326 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3in3 n GLU 327 N -2.35 -0.16 -4.68 1.61 -0.00 -1.00 -4.87 120.64 109.19 3in3 n GLU 327 Ca -0.09 -0.37 -0.25 0.00 -0.00 0.00 0.00 57.16 56.45 3in3 n GLU 327 Cb 0.39 -0.75 -0.17 0.00 -0.00 0.00 0.00 31.44 30.92 3in3 n GLU 327 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 3in3 s GLN 328 N -0.08 1.83 0.44 3.44 0.74 -0.91 -4.96 119.66 120.15 3in3 s GLN 328 Ca 0.00 -0.48 -0.08 0.00 0.05 0.00 0.00 55.36 54.85 3in3 s GLN 328 Cb 0.00 -1.50 -0.05 0.00 1.10 0.00 0.00 33.01 32.56 3in3 s GLN 328 CO 0.00 0.07 0.78 -0.48 -0.55 0.00 0.00 175.29 175.11 3in3 s LEU 329 N 0.54 3.72 0.08 3.68 0.05 -1.26 -4.11 118.68 121.38 3in3 s LEU 329 Ca -0.13 1.03 0.07 0.00 0.05 0.00 0.00 54.13 55.15 3in3 s LEU 329 Cb -0.15 -3.95 -0.03 0.00 -2.05 0.00 0.00 46.19 40.00 3in3 s LEU 329 CO 0.04 -0.49 -0.18 0.68 -0.55 0.00 0.00 176.35 175.84 3in3 s VAL 330 N -2.57 1.49 -0.02 1.48 -7.23 -0.45 -4.95 120.40 108.15 3in3 s VAL 330 Ca 0.49 -1.39 0.03 0.00 -1.81 0.00 0.00 61.98 59.31 3in3 s VAL 330 Cb -0.10 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 3in3 s VAL 330 CO 0.38 -0.07 -0.12 0.00 -0.31 0.00 0.00 175.10 174.99 3in3 n TRP 332 N 2.92 -0.54 -3.81 0.00 8.01 -0.54 -5.00 117.44 118.48 3in3 n TRP 332 Ca -0.15 -0.38 -0.28 0.00 -1.31 0.00 0.00 57.50 55.37 3in3 n TRP 332 Cb 0.55 -0.06 -0.16 0.00 -2.01 0.00 0.00 31.31 29.63 3in3 n TRP 332 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 3in3 s GLN 333 N -2.32 1.02 -0.24 -0.99 -1.52 -1.26 -2.07 119.66 112.27 3in3 s GLN 333 Ca 0.02 -0.57 -0.07 0.00 -1.95 0.00 0.00 55.36 52.80 3in3 s GLN 333 Cb -0.00 -2.18 0.01 0.00 -0.22 0.00 0.00 33.01 30.62 3in3 s GLN 333 CO 0.01 -0.59 0.16 0.00 -0.25 0.00 0.00 175.29 174.62 3in3 n ALA 334 N 4.93 -2.80 -1.04 6.09 0.00 -1.26 -3.80 120.51 122.63 3in3 n ALA 334 Ca -0.10 0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.74 3in3 n ALA 334 Cb 0.46 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 3in3 n ALA 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3in3 n GLY 335 N 0.66 0.45 0.01 0.00 0.00 -1.26 -4.85 105.19 100.20 3in3 n GLY 335 Ca 0.01 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.99 3in3 n GLY 335 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3in3 n THR 336 N -2.68 0.04 -1.71 2.61 -2.24 -1.25 -4.97 114.28 104.08 3in3 n THR 336 Ca -0.02 -0.10 -0.59 0.00 -2.27 0.00 0.00 64.05 61.07 3in3 n THR 336 Cb 0.19 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 68.92 3in3 n THR 336 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3in3 n THR 337 N -1.67 0.23 -2.19 4.28 -1.04 -1.26 -4.82 114.28 107.81 3in3 n THR 337 Ca 0.03 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 3in3 n THR 337 Cb 0.37 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 3in3 n THR 337 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3in3 n PRO 338 N 4.95 3.33 -0.36 -2.82 -0.05 -1.26 -4.78 135.00 134.00 3in3 n PRO 338 Ca 0.27 -3.23 0.06 0.00 -0.05 0.00 0.00 63.50 60.54 3in3 n PRO 338 Cb 0.09 -3.08 0.22 0.00 -0.05 0.00 0.00 33.50 30.68 3in3 n PRO 338 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 175.50 173.96 3in3 h TRP 339 N 6.01 1.17 0.00 0.54 4.06 -1.95 -2.08 115.95 123.70 3in3 h TRP 339 Ca 0.45 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.43 3in3 h TRP 339 Cb 0.66 -0.37 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 3in3 h TRP 339 CO 1.32 0.51 0.00 0.09 -3.56 0.00 0.00 178.44 176.79 3in3 n ASN 340 N -4.58 0.00 0.06 -3.49 3.02 -1.26 -1.04 115.26 107.97 3in3 n ASN 340 Ca 0.18 0.41 -0.00 0.00 -0.03 0.00 0.00 54.58 55.14 3in3 n ASN 340 Cb 0.30 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 3in3 n ASN 340 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3in3 h ILE 341 N 0.00 0.69 -3.21 2.41 2.04 -1.74 -3.46 117.51 114.25 3in3 h ILE 341 Ca 0.00 -2.17 -0.58 0.00 1.00 0.00 0.00 64.86 63.11 3in3 h ILE 341 Cb 0.04 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 3in3 h ILE 341 CO 0.00 0.40 -0.17 -0.36 0.00 0.00 0.00 178.15 178.02 3in3 s PHE 342 N -2.91 3.60 0.61 1.37 0.08 -0.21 -3.54 117.98 116.98 3in3 s PHE 342 Ca -0.01 0.92 -0.08 0.00 0.12 0.00 0.00 56.93 57.88 3in3 s PHE 342 Cb 0.08 -2.26 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 3in3 s PHE 342 CO 0.79 0.48 0.97 -1.25 -0.10 0.00 0.00 175.22 176.11 3in3 s PRO 343 N -1.90 3.10 0.51 0.24 0.04 -1.26 -4.82 135.00 130.90 3in3 s PRO 343 Ca 0.35 0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.58 3in3 s PRO 343 Cb -0.15 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3in3 s PRO 343 CO 0.18 -0.71 0.88 0.14 0.04 0.00 0.00 177.00 177.53 3in3 s VAL 344 N -3.10 4.77 -0.09 -0.36 -7.23 -1.26 -4.39 120.40 108.74 3in3 s VAL 344 Ca 0.54 0.65 0.03 0.00 -1.81 0.00 0.00 61.98 61.39 3in3 s VAL 344 Cb -0.11 -3.81 0.01 0.00 0.56 0.00 0.00 36.38 33.03 3in3 s VAL 344 CO 0.49 -0.84 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.62 3in3 s ILE 345 N -2.76 1.67 -0.20 -0.62 1.01 -0.53 -0.89 121.20 118.87 3in3 s ILE 345 Ca 0.52 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 3in3 s ILE 345 Cb -0.10 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.89 3in3 s ILE 345 CO 0.42 0.47 -0.10 -0.44 0.00 0.00 0.00 174.94 175.30 3in3 s SER 346 N 0.58 3.88 -0.23 3.58 0.01 -0.27 -0.25 113.70 120.99 3in3 s SER 346 Ca -0.15 -0.48 -0.09 0.00 1.31 0.00 0.00 55.95 56.54 3in3 s SER 346 Cb -0.17 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 3in3 s SER 346 CO 0.05 -0.01 0.13 -0.76 0.41 0.00 0.00 173.24 173.06 3in3 s LEU 347 N 1.37 3.94 -0.27 2.44 1.43 -0.55 -1.52 118.68 125.51 3in3 s LEU 347 Ca 0.05 0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 3in3 s LEU 347 Cb -0.14 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3in3 s LEU 347 CO -0.06 0.06 0.36 -0.31 0.23 0.00 0.00 176.35 176.64 3in3 s TYR 348 N 1.05 3.25 0.02 0.29 1.51 -0.04 -1.29 117.35 122.14 3in3 s TYR 348 Ca 0.06 0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 56.51 3in3 s TYR 348 Cb -0.14 -2.56 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 3in3 s TYR 348 CO 0.04 -0.22 0.18 -0.51 -1.11 0.00 0.00 175.55 173.93 3in3 s LEU 349 N 2.04 4.29 0.25 -1.29 1.43 0.28 -0.24 118.68 125.45 3in3 s LEU 349 Ca 0.15 0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 3in3 s LEU 349 Cb -0.16 -2.72 -0.11 0.00 0.03 0.00 0.00 46.19 43.24 3in3 s LEU 349 CO 0.10 0.22 1.54 -0.32 0.23 0.00 0.00 176.35 178.12 3in3 s MET 350 N -2.18 4.19 0.82 1.70 -2.45 -0.58 -1.77 119.30 119.03 3in3 s MET 350 Ca 0.30 2.43 -0.12 0.00 -1.25 0.00 0.00 55.69 57.06 3in3 s MET 350 Cb -0.13 -3.08 0.10 0.00 1.25 0.00 0.00 34.83 32.96 3in3 s MET 350 CO 0.22 -0.56 1.17 0.20 1.05 0.00 0.00 175.02 177.11 3in3 s GLY 351 N 0.62 1.64 0.52 2.11 0.00 -0.04 -4.03 107.32 108.14 3in3 s GLY 351 Ca 0.64 -0.79 0.28 0.00 0.00 0.00 0.00 44.72 44.85 3in3 s GLY 351 CO 0.42 -0.27 2.07 0.83 0.00 0.00 0.00 173.10 176.15 3in3 h GLU 352 N -1.07 0.00 -5.49 2.90 5.08 -1.87 -3.40 114.58 110.73 3in3 h GLU 352 Ca -0.45 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.32 3in3 h GLU 352 Cb 1.31 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.46 3in3 h GLU 352 CO 0.60 0.11 -0.29 0.08 -1.00 0.00 0.00 179.01 178.52 3in3 s VAL 353 N -4.17 5.28 0.22 3.13 1.01 -1.26 -5.01 120.40 119.60 3in3 s VAL 353 Ca -0.03 0.61 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 3in3 s VAL 353 Cb 0.13 -3.67 0.22 0.00 0.00 0.00 0.00 36.38 33.07 3in3 s VAL 353 CO 0.58 0.36 1.65 0.74 0.00 0.00 0.00 175.10 178.43 3in3 h THR 354 N 4.76 0.44 -0.39 3.92 2.02 -2.01 0.50 112.91 122.15 3in3 h THR 354 Ca -0.40 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3in3 h THR 354 Cb 1.17 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3in3 h THR 354 CO 0.75 0.02 0.00 -0.46 0.37 0.00 0.00 175.52 176.20 3in3 n ASN 355 N -5.31 3.89 -4.67 4.18 6.94 -1.26 -4.81 115.26 114.22 3in3 n ASN 355 Ca 0.10 -2.52 -0.23 0.00 -0.02 0.00 0.00 54.58 51.90 3in3 n ASN 355 Cb 0.38 -0.58 -0.07 0.00 -2.36 0.00 0.00 39.78 37.15 3in3 n ASN 355 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3in3 s GLN 356 N -2.04 2.37 0.23 -3.83 -0.21 0.16 -0.39 119.66 115.96 3in3 s GLN 356 Ca 0.35 -1.34 -0.10 0.00 0.02 0.00 0.00 55.36 54.29 3in3 s GLN 356 Cb 0.26 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 32.03 3in3 s GLN 356 CO 0.12 0.38 0.38 -1.54 -2.12 0.00 0.00 175.29 172.51 3in3 s SER 357 N -3.60 -0.03 0.03 5.90 1.04 0.18 -0.86 113.70 116.36 3in3 s SER 357 Ca 0.31 -1.03 -0.02 0.00 0.48 0.00 0.00 55.95 55.69 3in3 s SER 357 Cb -0.07 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 3in3 s SER 357 CO 0.20 -1.05 0.02 0.72 0.98 0.00 0.00 173.24 174.11 3in3 s PHE 358 N -4.05 0.27 -0.07 5.02 -0.12 -0.73 -0.31 117.98 118.00 3in3 s PHE 358 Ca 0.26 -0.59 0.01 0.00 -0.05 0.00 0.00 56.93 56.56 3in3 s PHE 358 Cb 0.01 -0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 3in3 s PHE 358 CO 0.09 -0.28 -0.08 -0.98 -0.05 0.00 0.00 175.22 173.91 3in3 s ARG 359 N -2.24 2.74 -0.19 1.99 1.70 0.43 -0.55 118.95 122.84 3in3 s ARG 359 Ca -0.08 -0.58 -0.06 0.00 -0.47 0.00 0.00 55.73 54.54 3in3 s ARG 359 Cb -0.04 -2.56 -0.03 0.00 -0.57 0.00 0.00 34.95 31.74 3in3 s ARG 359 CO -0.03 0.64 0.03 0.96 -1.08 0.00 0.00 175.30 175.82 3in3 s ILE 360 N -0.74 4.42 -0.20 4.99 -4.36 -0.41 -1.45 121.20 123.46 3in3 s ILE 360 Ca 0.11 -0.16 -0.04 0.00 -0.26 0.00 0.00 60.65 60.31 3in3 s ILE 360 Cb -0.11 -2.99 -0.01 0.00 1.25 0.00 0.00 42.46 40.59 3in3 s ILE 360 CO 0.01 0.44 -0.05 -0.89 0.24 0.00 0.00 174.94 174.70 3in3 s THR 361 N 0.62 3.47 0.13 8.37 2.01 0.05 -1.49 115.64 128.80 3in3 s THR 361 Ca 0.02 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.61 3in3 s THR 361 Cb -0.13 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 3in3 s THR 361 CO 0.02 0.44 -0.05 0.27 -0.69 0.00 0.00 174.62 174.61 3in3 s ILE 362 N 1.17 3.58 0.40 1.82 -4.36 0.65 -2.48 121.20 121.99 3in3 s ILE 362 Ca 0.02 -1.31 0.08 0.00 -0.26 0.00 0.00 60.65 59.18 3in3 s ILE 362 Cb -0.14 -2.73 0.01 0.00 1.25 0.00 0.00 42.46 40.84 3in3 s ILE 362 CO -0.01 0.02 0.54 -0.76 0.24 0.00 0.00 174.94 174.97 3in3 s LEU 363 N -2.53 3.71 0.53 0.37 1.43 -1.26 -1.46 118.68 119.48 3in3 s LEU 363 Ca 0.24 -0.38 0.18 0.00 -1.03 0.00 0.00 54.13 53.14 3in3 s LEU 363 Cb -0.10 -2.66 1.36 0.00 0.03 0.00 0.00 46.19 44.82 3in3 s LEU 363 CO 0.16 -0.69 2.17 -0.65 0.23 0.00 0.00 176.35 177.57 3in3 h PRO 364 N 0.71 0.00 0.00 1.29 0.11 -1.88 -1.66 132.00 130.57 3in3 h PRO 364 Ca -0.41 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 3in3 h PRO 364 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3in3 h PRO 364 CO 0.47 0.00 -0.00 1.96 -0.21 0.00 0.00 178.00 180.22 3in3 h GLN 365 N 0.00 0.00 0.06 1.05 7.50 -1.88 0.59 115.11 122.43 3in3 h GLN 365 Ca 0.00 0.00 -0.38 0.00 0.50 0.00 0.00 58.65 58.77 3in3 h GLN 365 Cb 0.01 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.49 3in3 h GLN 365 CO -0.00 0.00 -2.25 1.04 -1.50 0.00 0.00 178.83 176.12 3in3 n GLN 366 N -3.18 0.70 0.00 1.46 6.02 -0.65 -4.54 117.38 117.20 3in3 n GLN 366 Ca -0.03 0.21 0.13 0.00 -0.01 0.00 0.00 57.00 57.30 3in3 n GLN 366 Cb 0.07 -1.61 0.39 0.00 1.02 0.00 0.00 30.24 30.11 3in3 n GLN 366 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 3in3 n TYR 367 N -3.39 0.00 -3.65 1.08 0.18 -0.98 -4.51 117.16 105.89 3in3 n TYR 367 Ca -0.40 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 58.99 3in3 n TYR 367 Cb 1.01 -0.03 -0.11 0.00 -0.38 0.00 0.00 39.34 39.84 3in3 n TYR 367 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3in3 s LEU 368 N -2.13 4.93 -0.16 -3.48 1.43 0.16 -0.78 118.68 118.65 3in3 s LEU 368 Ca 0.32 -1.42 -0.21 0.00 -1.03 0.00 0.00 54.13 51.79 3in3 s LEU 368 Cb 0.20 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3in3 s LEU 368 CO 0.38 -0.48 0.62 -0.60 0.23 0.00 0.00 176.35 176.50 3in3 s ARG 369 N 1.41 4.28 0.49 1.70 3.52 -0.25 -4.80 118.95 125.30 3in3 s ARG 369 Ca 0.02 0.64 -0.24 0.00 -0.13 0.00 0.00 55.73 56.02 3in3 s ARG 369 Cb -0.22 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 29.58 3in3 s ARG 369 CO 0.02 -0.11 1.38 -1.25 -0.81 0.00 0.00 175.30 174.53 3in3 s PRO 370 N 1.47 3.48 0.00 5.12 0.04 -1.26 -0.78 135.00 143.08 3in3 s PRO 370 Ca 0.30 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.63 3in3 s PRO 370 Cb -0.16 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.90 3in3 s PRO 370 CO 0.12 -0.94 0.00 0.28 0.04 0.00 0.00 177.00 176.50 3in3 n VAL 371 N -0.53 0.00 -1.91 -0.36 0.31 -1.26 -4.82 118.33 109.75 3in3 n VAL 371 Ca 0.07 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.11 3in3 n VAL 371 Cb 0.44 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.32 3in3 n VAL 371 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3in3 s ASP 380 N -0.63 4.90 0.03 4.52 -0.00 -0.88 -4.82 116.67 119.79 3in3 s ASP 380 Ca 0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 52.55 52.55 3in3 s ASP 380 Cb 0.00 -2.54 -0.04 0.00 -0.00 0.00 0.00 42.92 40.34 3in3 s ASP 380 CO 0.00 -2.83 -0.02 0.00 -0.00 0.00 0.00 175.17 172.33 3in3 s TYR 382 N -1.14 0.60 0.02 0.00 2.02 -0.09 -4.34 117.35 114.43 3in3 s TYR 382 Ca 0.21 -0.73 0.08 0.00 -0.37 0.00 0.00 57.07 56.26 3in3 s TYR 382 Cb -0.11 -0.38 -0.03 0.00 -0.40 0.00 0.00 41.96 41.04 3in3 s TYR 382 CO 0.12 -0.18 -0.22 0.15 -1.57 0.00 0.00 175.55 173.85 3in3 s LYS 383 N -2.60 2.03 -0.15 -0.62 1.02 0.04 -1.34 119.74 118.12 3in3 s LYS 383 Ca -0.02 -0.99 -0.29 0.00 0.02 0.00 0.00 55.97 54.69 3in3 s LYS 383 Cb -0.02 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.13 3in3 s LYS 383 CO -0.03 0.54 1.80 0.12 -0.92 0.00 0.00 175.35 176.86 3in3 s PHE 384 N -0.80 1.75 -0.44 3.18 5.36 -1.26 -1.09 117.98 124.68 3in3 s PHE 384 Ca 0.12 0.31 0.04 0.00 -0.96 0.00 0.00 56.93 56.44 3in3 s PHE 384 Cb -0.10 -4.02 0.64 0.00 -0.34 0.00 0.00 43.02 39.20 3in3 s PHE 384 CO 0.02 -3.77 1.87 0.00 -1.46 0.00 0.00 175.22 171.88 3in3 n ALA 385 N 8.76 5.49 -3.11 11.12 0.00 0.04 -4.47 120.51 138.34 3in3 n ALA 385 Ca 0.21 -2.95 -0.32 0.00 0.00 0.00 0.00 53.44 50.37 3in3 n ALA 385 Cb 0.44 -1.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.36 3in3 n ALA 385 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3in3 s ILE 386 N -3.35 2.40 0.24 0.00 1.01 -1.26 -1.93 121.20 118.30 3in3 s ILE 386 Ca 0.56 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 3in3 s ILE 386 Cb 0.47 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 3in3 s ILE 386 CO 0.09 0.55 0.29 -0.94 0.00 0.00 0.00 174.94 174.93 3in3 s SER 387 N 0.26 0.27 0.19 3.58 1.04 -0.71 -4.75 113.70 113.58 3in3 s SER 387 Ca -0.14 -1.28 -0.18 0.00 0.48 0.00 0.00 55.95 54.83 3in3 s SER 387 Cb -0.17 0.49 -0.08 0.00 0.10 0.00 0.00 66.02 66.36 3in3 s SER 387 CO 0.07 -1.00 0.66 -1.58 0.98 0.00 0.00 173.24 172.37 3in3 s GLN 388 N -3.95 4.15 0.06 4.02 0.74 -1.26 -1.01 119.66 122.42 3in3 s GLN 388 Ca 0.33 0.73 0.07 0.00 0.05 0.00 0.00 55.36 56.54 3in3 s GLN 388 Cb 0.03 -2.90 -0.03 0.00 1.10 0.00 0.00 33.01 31.21 3in3 s GLN 388 CO 0.13 0.43 -0.18 0.45 -0.55 0.00 0.00 175.29 175.57 3in3 s SER 389 N -1.66 2.20 0.00 6.67 0.15 0.47 -4.75 113.70 116.77 3in3 s SER 389 Ca 0.41 -0.57 0.11 0.00 0.70 0.00 0.00 55.95 56.59 3in3 s SER 389 Cb -0.16 -0.14 0.14 0.00 -1.71 0.00 0.00 66.02 64.15 3in3 s SER 389 CO 0.20 0.07 0.94 -1.20 1.20 0.00 0.00 173.24 174.45 3in3 n SER 390 N 1.55 2.14 -1.07 5.45 7.64 -1.26 -3.33 113.62 124.74 3in3 n SER 390 Ca -0.19 -1.58 0.01 0.00 1.01 0.00 0.00 58.87 58.12 3in3 n SER 390 Cb 0.54 -0.05 0.14 0.00 -1.01 0.00 0.00 64.21 63.82 3in3 n SER 390 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3in3 n THR 391 N 0.58 1.84 0.00 0.44 -2.24 -1.26 -4.86 114.28 108.78 3in3 n THR 391 Ca 0.07 -3.00 0.00 0.00 -2.27 0.00 0.00 64.05 58.85 3in3 n THR 391 Cb 0.31 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3in3 n THR 391 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3in3 n GLY 392 N -0.76 -0.25 3.73 3.38 0.00 -1.23 -4.54 105.19 105.51 3in3 n GLY 392 Ca 0.20 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 3in3 n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3in3 s THR 393 N -1.16 3.76 -0.23 2.61 2.01 0.23 -4.45 115.64 118.41 3in3 s THR 393 Ca 0.00 1.39 0.01 0.00 0.31 0.00 0.00 61.69 63.41 3in3 s THR 393 Cb 0.00 -3.89 0.04 0.00 0.01 0.00 0.00 72.50 68.66 3in3 s THR 393 CO 0.00 0.18 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.29 3in3 s VAL 394 N 0.36 2.27 -0.84 3.82 1.01 0.08 -1.54 120.40 125.56 3in3 s VAL 394 Ca 0.55 -1.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3in3 s VAL 394 Cb -0.31 -2.18 0.09 0.00 0.00 0.00 0.00 36.38 33.98 3in3 s VAL 394 CO 0.33 0.20 1.12 -0.04 0.00 0.00 0.00 175.10 176.71 3in3 s MET 395 N 1.20 3.40 0.00 2.72 -1.94 -0.11 -0.93 119.30 123.65 3in3 s MET 395 Ca -0.03 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.69 3in3 s MET 395 Cb -0.17 -4.70 0.00 0.00 2.01 0.00 0.00 34.83 31.97 3in3 s MET 395 CO -0.08 -1.87 0.00 0.41 -0.01 0.00 0.00 175.02 173.48 3in3 n GLY 396 N 5.63 0.91 0.31 -0.03 0.00 -1.05 -1.38 105.19 109.58 3in3 n GLY 396 Ca 0.14 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.32 3in3 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in3 h ALA 397 N -0.98 1.31 0.00 4.61 0.00 0.07 -1.49 119.26 122.77 3in3 h ALA 397 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3in3 h ALA 397 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3in3 h ALA 397 CO 0.00 -0.13 -0.32 -0.39 0.00 0.00 0.00 179.25 178.41 3in3 h VAL 398 N 0.59 1.13 -0.04 0.00 -1.51 -1.59 0.18 116.25 115.00 3in3 h VAL 398 Ca 0.48 -1.14 -0.09 0.00 -1.23 0.00 0.00 66.70 64.72 3in3 h VAL 398 Cb 0.72 1.63 0.01 0.00 -2.13 0.00 0.00 31.29 31.51 3in3 h VAL 398 CO -0.39 0.32 -0.32 0.40 -1.23 0.00 0.00 177.57 176.35 3in3 h ILE 399 N 0.00 1.45 0.00 7.19 1.08 -1.59 -3.31 117.51 122.34 3in3 h ILE 399 Ca -0.00 -1.80 -0.03 0.00 -0.39 0.00 0.00 64.86 62.64 3in3 h ILE 399 Cb 0.61 2.46 -0.00 0.00 -3.07 0.00 0.00 36.82 36.81 3in3 h ILE 399 CO 0.04 0.51 -0.15 0.24 -0.69 0.00 0.00 178.15 178.11 3in3 h MET 400 N -0.24 0.00 0.00 2.37 2.86 -0.61 -3.09 114.93 116.22 3in3 h MET 400 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3in3 h MET 400 Cb 1.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 3in3 h MET 400 CO 0.07 0.15 -0.01 0.93 1.06 0.00 0.00 176.91 179.10 3in3 h GLU 401 N 0.00 0.00 0.00 1.72 5.08 -0.76 0.23 114.58 120.84 3in3 h GLU 401 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3in3 h GLU 401 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3in3 h GLU 401 CO 0.02 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 3in3 n GLY 402 N -1.11 -1.31 3.16 -3.84 0.00 -1.17 -4.47 105.19 96.46 3in3 n GLY 402 Ca -0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 3in3 n GLY 402 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3in3 s PHE 403 N -3.03 0.75 -0.30 1.61 0.40 0.07 -2.73 117.98 114.74 3in3 s PHE 403 Ca 0.10 -1.15 -0.13 0.00 -0.60 0.00 0.00 56.93 55.16 3in3 s PHE 403 Cb 0.14 -0.41 -0.03 0.00 0.51 0.00 0.00 43.02 43.23 3in3 s PHE 403 CO 0.42 -0.53 0.26 -0.47 0.70 0.00 0.00 175.22 175.61 3in3 s TYR 404 N -4.02 3.22 -0.24 0.36 5.04 0.55 -4.32 117.35 117.95 3in3 s TYR 404 Ca 0.21 0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.85 3in3 s TYR 404 Cb 0.07 -2.48 -0.00 0.00 0.35 0.00 0.00 41.96 39.89 3in3 s TYR 404 CO -0.00 -0.27 -0.01 0.08 -1.34 0.00 0.00 175.55 174.01 3in3 s VAL 405 N 1.84 3.52 -0.32 3.14 1.01 -0.69 -2.09 120.40 126.81 3in3 s VAL 405 Ca 0.09 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 3in3 s VAL 405 Cb -0.16 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3in3 s VAL 405 CO 0.11 0.34 0.21 -0.69 0.00 0.00 0.00 175.10 175.07 3in3 s VAL 406 N 1.48 5.19 -1.11 2.92 1.01 0.12 -0.60 120.40 129.42 3in3 s VAL 406 Ca 0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 3in3 s VAL 406 Cb -0.15 -3.61 0.20 0.00 0.00 0.00 0.00 36.38 32.82 3in3 s VAL 406 CO -0.02 0.07 1.24 -0.36 0.00 0.00 0.00 175.10 176.03 3in3 s PHE 407 N 1.72 3.70 -1.25 5.22 0.40 0.14 -0.89 117.98 127.02 3in3 s PHE 407 Ca 0.06 -2.18 -0.17 0.00 -0.60 0.00 0.00 56.93 54.04 3in3 s PHE 407 Cb -0.17 -4.13 0.11 0.00 0.51 0.00 0.00 43.02 39.34 3in3 s PHE 407 CO 0.10 -1.24 1.61 0.34 0.70 0.00 0.00 175.22 176.72 3in3 s ASP 408 N 2.45 6.91 0.36 1.36 -1.08 -0.50 -2.52 116.67 123.65 3in3 s ASP 408 Ca 0.36 -2.60 0.07 0.00 -0.52 0.00 0.00 52.55 49.86 3in3 s ASP 408 Cb -0.06 -2.51 0.69 0.00 -1.46 0.00 0.00 42.92 39.58 3in3 s ASP 408 CO -0.04 -1.03 1.89 0.03 0.52 0.00 0.00 175.17 176.53 3in3 h ARG 409 N 7.53 0.35 -0.71 4.34 3.08 -1.75 -1.22 114.38 126.00 3in3 h ARG 409 Ca 0.39 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 3in3 h ARG 409 Cb 0.88 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 3in3 h ARG 409 CO 1.38 0.46 0.38 0.00 -1.07 0.00 0.00 179.97 181.12 3in3 h ALA 410 N 1.57 1.33 -0.31 0.04 0.00 -1.59 -2.75 119.26 117.55 3in3 h ALA 410 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3in3 h ALA 410 Cb 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3in3 h ALA 410 CO 0.02 0.54 0.00 0.54 0.00 0.00 0.00 179.25 180.35 3in3 n ARG 411 N -4.36 2.97 -3.77 0.00 1.74 -1.05 -5.00 116.66 107.20 3in3 n ARG 411 Ca 0.07 -2.57 -0.29 0.00 -0.77 0.00 0.00 57.85 54.29 3in3 n ARG 411 Cb 0.10 -1.65 0.03 0.00 -1.02 0.00 0.00 32.46 29.92 3in3 n ARG 411 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3in3 n LYS 412 N -0.08 -2.05 -3.52 5.56 5.02 -0.52 -4.92 118.16 117.65 3in3 n LYS 412 Ca 0.18 0.45 -0.12 0.00 -2.02 0.00 0.00 58.31 56.80 3in3 n LYS 412 Cb 0.73 -4.28 -0.03 0.00 -0.02 0.00 0.00 35.03 31.43 3in3 n LYS 412 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3in3 s ARG 413 N -6.17 1.16 -0.11 1.97 1.70 -0.81 -1.27 118.95 115.42 3in3 s ARG 413 Ca 0.31 -0.49 0.01 0.00 -0.47 0.00 0.00 55.73 55.09 3in3 s ARG 413 Cb -0.11 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 34.81 3in3 s ARG 413 CO 0.87 -0.48 -0.14 0.42 -1.08 0.00 0.00 175.30 174.89 3in3 s ILE 414 N -3.49 1.40 0.03 4.99 1.01 0.43 -1.40 121.20 124.17 3in3 s ILE 414 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3in3 s ILE 414 Cb 0.00 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3in3 s ILE 414 CO -0.10 0.42 0.19 -0.83 0.00 0.00 0.00 174.94 174.62 3in3 s GLY 415 N 1.09 2.18 -0.04 6.18 0.00 -0.07 -0.99 107.32 115.67 3in3 s GLY 415 Ca -0.05 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 43.89 3in3 s GLY 415 CO -0.03 -0.75 -0.12 -1.36 0.00 0.00 0.00 173.10 170.84 3in3 s PHE 416 N -1.42 1.29 0.04 1.90 0.08 -0.07 -0.70 117.98 119.09 3in3 s PHE 416 Ca 0.31 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.96 3in3 s PHE 416 Cb -0.13 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 3in3 s PHE 416 CO 0.24 -0.15 0.04 0.00 -0.10 0.00 0.00 175.22 175.24 3in3 s ALA 417 N 0.24 0.11 0.19 5.36 0.00 -0.89 -0.87 121.76 125.91 3in3 s ALA 417 Ca -0.05 -0.72 -0.32 0.00 0.00 0.00 0.00 51.96 50.87 3in3 s ALA 417 Cb -0.11 0.23 -0.11 0.00 0.00 0.00 0.00 23.12 23.13 3in3 s ALA 417 CO 0.02 -0.29 1.65 0.08 0.00 0.00 0.00 175.76 177.21 3in3 s VAL 418 N -2.65 2.29 0.35 0.00 1.01 -1.24 -0.33 120.40 119.83 3in3 s VAL 418 Ca -0.05 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.88 3in3 s VAL 418 Cb -0.01 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 3in3 s VAL 418 CO -0.05 0.02 1.06 -0.55 0.00 0.00 0.00 175.10 175.57 3in3 s SER 419 N 1.12 6.98 0.21 3.32 0.15 -1.11 -1.74 113.70 122.62 3in3 s SER 419 Ca 0.72 2.10 0.20 0.00 0.70 0.00 0.00 55.95 59.67 3in3 s SER 419 Cb -0.47 -2.60 0.89 0.00 -1.71 0.00 0.00 66.02 62.13 3in3 s SER 419 CO 0.33 -0.34 1.60 0.00 1.20 0.00 0.00 173.24 176.03 3in3 n ALA 420 N 0.42 1.45 0.32 5.45 0.00 -0.02 -3.48 120.51 124.65 3in3 n ALA 420 Ca 0.03 0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.59 3in3 n ALA 420 Cb 0.48 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 3in3 n ALA 420 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3in3 n HIS 422 N -0.74 2.28 -3.00 0.00 -0.00 -1.23 -4.96 115.22 107.56 3in3 n HIS 422 Ca 0.02 0.44 -0.40 0.00 -0.00 0.00 0.00 57.72 57.79 3in3 n HIS 422 Cb 0.13 -2.37 -0.05 0.00 -0.00 0.00 0.00 29.99 27.70 3in3 n HIS 422 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3in3 s VAL 423 N -1.27 4.87 -0.07 0.61 1.01 -1.26 -5.04 120.40 119.26 3in3 s VAL 423 Ca 0.68 1.56 -0.30 0.00 0.00 0.00 0.00 61.98 63.92 3in3 s VAL 423 Cb -0.44 -4.09 0.11 0.00 0.00 0.00 0.00 36.38 31.97 3in3 s VAL 423 CO 0.52 0.31 0.98 -1.38 0.00 0.00 0.00 175.10 175.53 3in3 s HIS 424 N 0.32 -0.29 0.00 5.22 -0.00 -1.26 -4.79 115.29 114.49 3in3 s HIS 424 Ca 0.39 0.22 0.00 0.00 -0.00 0.00 0.00 55.06 55.67 3in3 s HIS 424 Cb -0.19 0.52 0.00 0.00 -0.00 0.00 0.00 32.58 32.91 3in3 s HIS 424 CO 0.21 -0.44 0.00 -0.40 -0.00 0.00 0.00 174.74 174.11 3in3 n ASP 425 N -0.09 0.00 -1.13 7.38 3.85 -1.23 -5.02 116.55 120.31 3in3 n ASP 425 Ca -0.07 -0.39 0.08 0.00 -0.71 0.00 0.00 54.79 53.71 3in3 n ASP 425 Cb 0.60 0.00 0.26 0.00 -1.35 0.00 0.00 41.12 40.63 3in3 n ASP 425 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3in3 n GLU 426 N -0.39 2.58 0.00 0.11 -0.58 -1.26 -3.98 120.64 117.13 3in3 n GLU 426 Ca 0.00 -2.09 0.00 0.00 -0.42 0.00 0.00 57.16 54.65 3in3 n GLU 426 Cb 0.00 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 3in3 n GLU 426 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3in3 n PHE 427 N 1.04 0.00 -4.12 -0.32 3.72 -1.26 -5.09 117.46 111.44 3in3 n PHE 427 Ca 0.19 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.51 3in3 n PHE 427 Cb 0.56 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.00 3in3 n PHE 427 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3in3 s ARG 428 N -1.57 0.73 -0.06 -1.08 0.52 -1.26 -5.16 118.95 111.07 3in3 s ARG 428 Ca 0.00 -1.30 -0.21 0.00 -0.52 0.00 0.00 55.73 53.70 3in3 s ARG 428 Cb 0.00 0.14 0.04 0.00 0.52 0.00 0.00 34.95 35.66 3in3 s ARG 428 CO 0.00 -0.13 0.48 0.99 0.02 0.00 0.00 175.30 176.66 3in3 s THR 429 N -3.90 0.03 0.84 0.02 2.01 -1.26 -3.57 115.64 109.81 3in3 s THR 429 Ca 0.12 -0.22 -0.13 0.00 0.31 0.00 0.00 61.69 61.78 3in3 s THR 429 Cb 0.07 -0.77 0.08 0.00 0.01 0.00 0.00 72.50 71.89 3in3 s THR 429 CO -0.06 -0.12 1.01 0.00 -0.69 0.00 0.00 174.62 174.76 3in3 n ALA 430 N 1.46 -0.70 -3.32 7.40 0.00 -1.26 -4.93 120.51 119.15 3in3 n ALA 430 Ca -0.19 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 52.70 3in3 n ALA 430 Cb 0.56 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.82 3in3 n ALA 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3in3 s ALA 431 N -2.24 -1.27 -0.12 0.00 0.00 -1.03 -4.98 121.76 112.12 3in3 s ALA 431 Ca 0.69 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 3in3 s ALA 431 Cb -0.27 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.09 3in3 s ALA 431 CO 0.55 -0.41 -0.07 0.08 0.00 0.00 0.00 175.76 175.91 3in3 s VAL 432 N -1.91 1.00 -0.05 0.00 1.01 -1.26 -0.77 120.40 118.41 3in3 s VAL 432 Ca -0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3in3 s VAL 432 Cb -0.01 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3in3 s VAL 432 CO 0.02 0.32 0.13 -1.61 0.00 0.00 0.00 175.10 173.96 3in3 s GLU 433 N 1.71 0.12 0.13 2.72 2.02 -0.53 -4.87 118.70 120.01 3in3 s GLU 433 Ca 0.04 0.25 -0.25 0.00 0.02 0.00 0.00 54.97 55.03 3in3 s GLU 433 Cb -0.13 -0.03 0.08 0.00 0.10 0.00 0.00 34.13 34.15 3in3 s GLU 433 CO -0.08 -0.08 1.06 0.20 0.02 0.00 0.00 175.26 176.39 3in3 s GLY 434 N 0.51 -0.13 0.35 -1.39 0.00 -1.26 -0.42 107.32 104.97 3in3 s GLY 434 Ca -0.04 0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.72 3in3 s GLY 434 CO -0.02 1.19 0.57 2.56 0.00 0.00 0.00 173.10 177.39 3in3 s PRO 435 N -2.66 3.51 -0.11 2.90 0.04 -1.26 -5.08 135.00 132.33 3in3 s PRO 435 Ca 0.17 -0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.01 3in3 s PRO 435 Cb -0.01 -2.64 -0.00 0.00 0.04 0.00 0.00 34.50 31.90 3in3 s PRO 435 CO 0.02 0.13 -0.22 -0.06 0.04 0.00 0.00 177.00 176.91 3in3 s PHE 436 N -2.31 2.61 -0.26 0.56 0.40 0.58 -4.95 117.98 114.60 3in3 s PHE 436 Ca 0.41 -1.03 -0.14 0.00 -0.60 0.00 0.00 56.93 55.57 3in3 s PHE 436 Cb -0.10 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 3in3 s PHE 436 CO 0.36 -0.42 0.34 0.08 0.70 0.00 0.00 175.22 176.28 3in3 s VAL 437 N 0.40 5.20 -0.83 -0.44 1.01 -1.26 -0.65 120.40 123.84 3in3 s VAL 437 Ca -0.16 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 3in3 s VAL 437 Cb -0.17 -3.67 0.35 0.00 0.00 0.00 0.00 36.38 32.89 3in3 s VAL 437 CO 0.07 0.19 1.79 0.35 0.00 0.00 0.00 175.10 177.50 3in3 n THR 438 N 4.97 4.06 0.00 3.92 -2.24 0.48 -5.01 114.28 120.46 3in3 n THR 438 Ca -0.09 -4.90 0.00 0.00 -2.27 0.00 0.00 64.05 56.78 3in3 n THR 438 Cb 0.51 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 3in3 n THR 438 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3in3 n LEU 439 N -0.39 0.00 0.00 3.22 7.94 -1.26 -4.90 117.00 121.61 3in3 n LEU 439 Ca 0.49 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 3in3 n LEU 439 Cb 0.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.25 3in3 n LEU 439 CO 0.48 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 175.86 3in3 n ASP 443 N 3.69 0.00 0.05 1.96 5.75 -1.26 -4.87 116.55 121.88 3in3 n ASP 443 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.89 3in3 n ASP 443 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 3in3 n ASP 443 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3in3 s GLY 445 N -3.92 1.64 0.00 0.00 0.00 -1.26 -3.93 107.32 99.84 3in3 s GLY 445 Ca 0.02 -0.27 0.30 0.00 0.00 0.00 0.00 44.72 44.77 3in3 s GLY 445 CO 0.79 0.06 1.98 -1.72 0.00 0.00 0.00 173.10 174.22