#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3igb h PHE 61 N 0.00 0.00 -0.79 7.33 0.04 -1.98 -2.91 116.94 118.62 3igb h PHE 61 Ca 0.00 0.00 0.19 0.00 2.80 0.00 0.00 57.97 60.96 3igb h PHE 61 Cb 0.00 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 3igb h PHE 61 CO 0.00 0.05 0.54 -0.39 -0.60 0.00 0.00 178.31 177.90 3igb h VAL 62 N 0.00 0.70 -0.00 -0.55 -1.51 -2.02 0.21 116.25 113.09 3igb h VAL 62 Ca -0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 3igb h VAL 62 Cb 0.41 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 3igb h VAL 62 CO 0.01 0.05 -0.07 -0.62 -1.23 0.00 0.00 177.57 175.71 3igb n GLU 63 N -4.44 0.19 0.00 5.19 1.02 -1.10 -2.68 120.64 118.83 3igb n GLU 63 Ca 0.16 -0.03 0.11 0.00 -0.02 0.00 0.00 57.16 57.38 3igb n GLU 63 Cb 0.67 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.61 3igb n GLU 63 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3igb n MET 64 N -1.38 0.01 -1.86 3.49 2.81 0.72 -4.60 117.12 116.31 3igb n MET 64 Ca 0.10 -0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.57 3igb n MET 64 Cb 0.31 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.31 3igb n MET 64 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3igb s VAL 65 N -3.01 2.19 -1.84 2.03 1.01 -1.09 -2.07 120.40 117.62 3igb s VAL 65 Ca 0.09 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3igb s VAL 65 Cb 0.16 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3igb s VAL 65 CO 0.81 0.04 0.00 -0.67 0.00 0.00 0.00 175.10 175.28 3igb n ASP 66 N 0.72 -4.89 0.00 3.32 2.03 -1.18 -4.83 116.55 111.72 3igb n ASP 66 Ca 0.02 0.36 0.11 0.00 0.52 0.00 0.00 54.79 55.80 3igb n ASP 66 Cb 0.40 -4.31 0.66 0.00 -0.72 0.00 0.00 41.12 37.14 3igb n ASP 66 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3igb n ASN 67 N -1.26 0.00 -4.64 1.67 6.94 -0.88 -4.76 115.26 112.34 3igb n ASN 67 Ca -0.19 -0.83 -0.32 0.00 -0.02 0.00 0.00 54.58 53.22 3igb n ASN 67 Cb 0.61 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.93 3igb n ASN 67 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3igb s LEU 68 N -1.91 3.34 0.16 -4.53 1.43 0.00 -4.28 118.68 112.89 3igb s LEU 68 Ca 0.33 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 3igb s LEU 68 Cb 0.15 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3igb s LEU 68 CO 0.26 0.29 0.12 -0.13 0.23 0.00 0.00 176.35 177.11 3igb s ARG 69 N -1.45 1.05 0.00 1.70 1.81 -0.46 -2.37 118.95 119.23 3igb s ARG 69 Ca 0.18 -1.46 0.00 0.00 -1.72 0.00 0.00 55.73 52.73 3igb s ARG 69 Cb -0.11 0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.66 3igb s ARG 69 CO 0.08 -0.33 0.00 0.41 -0.68 0.00 0.00 175.30 174.79 3igb n GLY 70 N -0.17 0.18 3.67 -3.53 0.00 -0.91 0.49 105.19 104.92 3igb n GLY 70 Ca -0.03 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 3igb n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3igb s LYS 71 N -2.00 3.29 -0.13 1.61 -0.14 -1.25 -0.43 119.74 120.69 3igb s LYS 71 Ca 0.00 -0.38 -0.39 0.00 -1.36 0.00 0.00 55.97 53.85 3igb s LYS 71 Cb 0.00 -2.93 -0.16 0.00 -1.68 0.00 0.00 37.83 33.07 3igb s LYS 71 CO 0.00 0.58 1.60 0.45 -0.76 0.00 0.00 175.35 177.22 3igb n SER 72 N 2.53 2.17 0.00 2.83 2.88 0.83 0.16 113.62 125.02 3igb n SER 72 Ca -0.18 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 3igb n SER 72 Cb 0.53 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 3igb n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3igb n GLY 73 N 3.59 1.78 0.64 0.46 0.00 -1.26 -4.85 105.19 105.54 3igb n GLY 73 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.31 3igb n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3igb n GLN 74 N -2.00 2.88 0.00 1.61 6.02 0.12 -4.89 117.38 121.13 3igb n GLN 74 Ca 0.00 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 3igb n GLN 74 Cb 0.00 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3igb n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3igb n GLY 75 N 0.40 -0.33 3.82 1.08 0.00 -1.23 -4.78 105.19 104.15 3igb n GLY 75 Ca 0.12 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 3igb n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3igb s TYR 76 N -2.80 3.54 0.12 1.61 1.51 -1.26 -3.89 117.35 116.17 3igb s TYR 76 Ca 0.00 0.50 0.09 0.00 -1.01 0.00 0.00 57.07 56.65 3igb s TYR 76 Cb 0.00 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3igb s TYR 76 CO 0.00 0.56 -0.23 1.52 -1.11 0.00 0.00 175.55 176.29 3igb s TYR 77 N -0.49 2.00 0.07 2.71 1.13 0.18 -0.84 117.35 122.11 3igb s TYR 77 Ca 0.13 -0.40 0.06 0.00 -1.41 0.00 0.00 57.07 55.45 3igb s TYR 77 Cb -0.12 -1.08 -0.04 0.00 -1.10 0.00 0.00 41.96 39.62 3igb s TYR 77 CO 0.03 0.27 -0.09 0.54 -2.51 0.00 0.00 175.55 173.79 3igb s VAL 78 N -1.18 3.44 0.15 -3.49 0.11 -0.03 -1.35 120.40 118.04 3igb s VAL 78 Ca 0.10 -1.12 -0.30 0.00 -2.93 0.00 0.00 61.98 57.73 3igb s VAL 78 Cb -0.10 -2.57 -0.07 0.00 -1.53 0.00 0.00 36.38 32.11 3igb s VAL 78 CO 0.05 0.20 0.97 -0.70 -3.33 0.00 0.00 175.10 172.29 3igb s GLU 79 N -1.97 4.72 0.16 1.54 2.12 -1.26 -0.42 118.70 123.59 3igb s GLU 79 Ca 0.20 1.49 0.02 0.00 0.36 0.00 0.00 54.97 57.04 3igb s GLU 79 Cb -0.11 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3igb s GLU 79 CO 0.12 0.27 -0.02 -1.64 -0.54 0.00 0.00 175.26 173.45 3igb s MET 80 N -0.31 1.05 0.05 4.30 -1.94 0.97 -4.05 119.30 119.38 3igb s MET 80 Ca 0.46 -1.49 0.08 0.00 -1.71 0.00 0.00 55.69 53.03 3igb s MET 80 Cb -0.25 -0.28 -0.03 0.00 2.01 0.00 0.00 34.83 36.29 3igb s MET 80 CO 0.31 -0.09 -0.24 0.95 -0.01 0.00 0.00 175.02 175.94 3igb s THR 81 N -3.63 1.91 -0.01 2.05 -4.23 0.09 -0.85 115.64 110.97 3igb s THR 81 Ca 0.21 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.43 3igb s THR 81 Cb 0.06 -1.65 -0.01 0.00 1.34 0.00 0.00 72.50 72.23 3igb s THR 81 CO 0.02 0.26 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.54 3igb s VAL 82 N -0.83 1.05 0.00 2.29 1.01 -0.43 -1.56 120.40 121.92 3igb s VAL 82 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3igb s VAL 82 Cb -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3igb s VAL 82 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3igb n GLY 83 N 2.79 -1.23 2.84 4.51 0.00 -0.14 -0.87 105.19 113.09 3igb n GLY 83 Ca -0.14 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 3igb n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3igb s SER 84 N -1.98 1.74 0.98 1.61 0.01 -1.26 -3.02 113.70 111.78 3igb s SER 84 Ca 0.00 -0.17 -0.11 0.00 1.31 0.00 0.00 55.95 56.97 3igb s SER 84 Cb 0.00 -0.60 0.18 0.00 0.21 0.00 0.00 66.02 65.81 3igb s SER 84 CO 0.00 -0.14 1.10 -2.84 0.41 0.00 0.00 173.24 171.77 3igb s PRO 85 N 1.72 0.49 0.12 12.44 0.02 -1.26 -0.78 135.00 147.75 3igb s PRO 85 Ca 0.03 1.24 -0.31 0.00 0.02 0.00 0.00 61.00 61.97 3igb s PRO 85 Cb -0.13 -1.69 -0.10 0.00 0.02 0.00 0.00 34.50 32.60 3igb s PRO 85 CO -0.05 -2.89 1.76 -2.14 -0.33 0.00 0.00 177.00 173.35 3igb s PRO 86 N -4.63 4.15 -0.26 5.54 0.02 -1.17 -4.91 135.00 133.75 3igb s PRO 86 Ca 0.67 2.52 -0.11 0.00 0.02 0.00 0.00 61.00 64.09 3igb s PRO 86 Cb -0.23 -3.53 -0.05 0.00 0.02 0.00 0.00 34.50 30.72 3igb s PRO 86 CO 0.60 -0.80 0.21 -0.65 -0.33 0.00 0.00 177.00 176.03 3igb s GLN 87 N 2.50 4.03 -0.04 5.54 -0.21 -0.05 -4.87 119.66 126.56 3igb s GLN 87 Ca 0.78 -0.23 -0.28 0.00 0.02 0.00 0.00 55.36 55.65 3igb s GLN 87 Cb -0.45 -3.60 -0.03 0.00 1.00 0.00 0.00 33.01 29.94 3igb s GLN 87 CO 0.35 -0.07 0.90 0.99 -2.12 0.00 0.00 175.29 175.34 3igb s THR 88 N 1.43 4.91 0.03 -0.19 2.01 -1.26 -1.31 115.64 121.26 3igb s THR 88 Ca 0.09 1.86 0.00 0.00 0.31 0.00 0.00 61.69 63.95 3igb s THR 88 Cb -0.15 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 3igb s THR 88 CO 0.08 0.16 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.36 3igb s LEU 89 N 1.15 2.30 -0.18 4.42 1.43 -0.03 -4.94 118.68 122.83 3igb s LEU 89 Ca 0.47 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 3igb s LEU 89 Cb -0.19 0.05 -0.05 0.00 0.03 0.00 0.00 46.19 46.03 3igb s LEU 89 CO 0.23 -0.34 0.29 0.20 0.23 0.00 0.00 176.35 176.96 3igb s ASN 90 N -1.82 6.38 -0.10 2.29 0.01 -1.26 -0.02 114.94 120.43 3igb s ASN 90 Ca -0.09 0.45 0.01 0.00 -0.71 0.00 0.00 52.86 52.51 3igb s ASN 90 Cb -0.06 -2.18 0.02 0.00 0.41 0.00 0.00 41.25 39.44 3igb s ASN 90 CO -0.02 0.06 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.90 3igb s ILE 91 N 0.70 1.13 0.21 0.60 -1.09 0.44 0.52 121.20 123.71 3igb s ILE 91 Ca 0.15 -0.40 -0.31 0.00 -2.23 0.00 0.00 60.65 57.86 3igb s ILE 91 Cb -0.13 -1.09 -0.11 0.00 -1.58 0.00 0.00 42.46 39.55 3igb s ILE 91 CO 0.04 0.37 1.63 -0.22 -1.23 0.00 0.00 174.94 175.54 3igb s LEU 92 N 1.28 4.37 -0.40 2.97 2.96 0.29 -0.85 118.68 129.30 3igb s LEU 92 Ca -0.03 2.78 -0.24 0.00 -0.22 0.00 0.00 54.13 56.42 3igb s LEU 92 Cb -0.14 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.96 3igb s LEU 92 CO -0.04 -0.89 0.82 -0.69 -1.32 0.00 0.00 176.35 174.22 3igb s VAL 93 N 0.93 4.66 -0.29 1.68 1.01 -0.02 0.33 120.40 128.70 3igb s VAL 93 Ca 0.71 0.78 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 3igb s VAL 93 Cb -0.47 -4.28 0.09 0.00 0.00 0.00 0.00 36.38 31.72 3igb s VAL 93 CO 0.35 -0.56 0.06 -0.62 0.00 0.00 0.00 175.10 174.32 3igb s ASP 94 N 1.97 4.00 0.00 3.32 2.15 -0.68 -4.11 116.67 123.33 3igb s ASP 94 Ca 0.32 -1.57 0.14 0.00 0.43 0.00 0.00 52.55 51.87 3igb s ASP 94 Cb -0.12 -1.00 0.67 0.00 -0.30 0.00 0.00 42.92 42.17 3igb s ASP 94 CO 0.20 -0.37 1.45 0.35 -0.17 0.00 0.00 175.17 176.62 3igb n THR 95 N 4.75 0.11 0.07 1.71 -2.24 -1.26 -0.36 114.28 117.06 3igb n THR 95 Ca -0.03 -0.14 0.07 0.00 -2.27 0.00 0.00 64.05 61.67 3igb n THR 95 Cb 0.43 -0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.79 3igb n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3igb n GLY 96 N 0.84 1.69 3.44 3.38 0.00 -1.26 -4.23 105.19 109.04 3igb n GLY 96 Ca 0.11 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 3igb n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3igb s SER 97 N -1.03 0.40 0.00 1.61 1.04 -1.24 -4.98 113.70 109.50 3igb s SER 97 Ca 0.23 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.38 3igb s SER 97 Cb 0.13 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3igb s SER 97 CO 0.18 -1.11 0.66 -1.20 0.98 0.00 0.00 173.24 172.74 3igb n SER 98 N -0.75 0.84 -4.61 7.02 7.64 -1.26 -0.30 113.62 122.19 3igb n SER 98 Ca 0.01 -1.39 -0.34 0.00 1.01 0.00 0.00 58.87 58.15 3igb n SER 98 Cb 0.63 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.72 3igb n SER 98 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3igb s ASN 99 N -0.39 5.13 -0.56 6.43 -0.87 -1.26 -4.51 114.94 118.91 3igb s ASN 99 Ca 0.00 0.04 -0.27 0.00 -1.57 0.00 0.00 52.86 51.06 3igb s ASN 99 Cb 0.00 -1.62 0.03 0.00 -0.02 0.00 0.00 41.25 39.65 3igb s ASN 99 CO 0.00 0.29 1.10 0.12 -2.57 0.00 0.00 177.10 176.04 3igb s PHE 100 N -0.33 2.69 -0.06 2.20 5.36 -1.26 -1.40 117.98 125.19 3igb s PHE 100 Ca 0.06 0.32 0.02 0.00 -0.96 0.00 0.00 56.93 56.37 3igb s PHE 100 Cb -0.12 -4.35 0.02 0.00 -0.34 0.00 0.00 43.02 38.22 3igb s PHE 100 CO 0.02 -1.47 -0.08 0.00 -1.46 0.00 0.00 175.22 172.23 3igb s ALA 101 N 4.56 0.99 -0.03 11.12 0.00 -0.49 -0.75 121.76 137.17 3igb s ALA 101 Ca 0.40 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.12 3igb s ALA 101 Cb -0.09 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3igb s ALA 101 CO 0.24 0.03 -0.06 0.08 0.00 0.00 0.00 175.76 176.06 3igb s VAL 102 N 0.83 0.55 0.01 0.00 1.01 -0.00 0.11 120.40 122.90 3igb s VAL 102 Ca -0.12 -0.21 -0.37 0.00 0.00 0.00 0.00 61.98 61.28 3igb s VAL 102 Cb -0.15 -0.52 -0.16 0.00 0.00 0.00 0.00 36.38 35.54 3igb s VAL 102 CO 0.02 0.20 1.44 0.61 0.00 0.00 0.00 175.10 177.36 3igb n GLY 103 N 3.53 0.58 0.61 4.51 0.00 0.64 -0.57 105.19 114.49 3igb n GLY 103 Ca -0.20 0.75 0.03 0.00 0.00 0.00 0.00 46.02 46.60 3igb n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igb n ALA 104 N 3.18 2.22 -3.42 4.61 0.00 -0.26 -0.32 120.51 126.53 3igb n ALA 104 Ca 0.20 -1.71 -0.14 0.00 0.00 0.00 0.00 53.44 51.78 3igb n ALA 104 Cb 0.18 -0.51 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 3igb n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3igb s ALA 105 N -0.76 -1.58 0.50 0.00 0.00 -1.21 -4.81 121.76 113.91 3igb s ALA 105 Ca 0.15 0.78 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 3igb s ALA 105 Cb 0.15 0.48 -0.08 0.00 0.00 0.00 0.00 23.12 23.67 3igb s ALA 105 CO -0.03 -0.58 0.95 -2.30 0.00 0.00 0.00 175.76 173.80 3igb n PRO 106 N 0.22 1.12 -3.66 0.00 -0.02 -1.26 -4.94 135.00 126.46 3igb n PRO 106 Ca -0.18 0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 61.56 3igb n PRO 106 Cb 0.61 -2.06 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 3igb n PRO 106 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3igb s HIS 107 N -1.41 -0.47 0.56 6.00 2.46 -1.26 -5.02 115.29 116.15 3igb s HIS 107 Ca 0.68 0.92 0.24 0.00 0.47 0.00 0.00 55.06 57.37 3igb s HIS 107 Cb -0.49 0.24 1.59 0.00 -0.13 0.00 0.00 32.58 33.78 3igb s HIS 107 CO 0.53 -0.43 2.20 -1.35 -2.47 0.00 0.00 174.74 173.21 3igb h PRO 108 N 4.01 0.00 -0.01 2.88 0.11 -2.03 0.34 132.00 137.30 3igb h PRO 108 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3igb h PRO 108 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3igb h PRO 108 CO 0.33 0.00 -0.39 1.19 -0.21 0.00 0.00 178.00 178.92 3igb n PHE 109 N -4.13 0.00 -3.71 0.65 3.72 -1.26 -4.86 117.46 107.87 3igb n PHE 109 Ca -0.02 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 3igb n PHE 109 Cb 0.12 -0.10 -0.10 0.00 -0.94 0.00 0.00 39.48 38.46 3igb n PHE 109 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3igb s LEU 110 N -2.59 4.04 -0.00 4.37 1.43 0.11 -4.68 118.68 121.36 3igb s LEU 110 Ca 0.20 0.10 0.22 0.00 -1.03 0.00 0.00 54.13 53.62 3igb s LEU 110 Cb 0.19 -2.08 -0.27 0.00 0.03 0.00 0.00 46.19 44.06 3igb s LEU 110 CO 0.58 0.08 0.63 1.41 0.23 0.00 0.00 176.35 179.27 3igb n HIS 111 N 4.19 0.10 -4.09 0.29 8.25 -1.26 -4.42 115.22 118.28 3igb n HIS 111 Ca -0.15 0.03 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 3igb n HIS 111 Cb 0.52 -0.46 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 3igb n HIS 111 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3igb s ARG 112 N -3.41 0.61 0.13 -0.41 0.52 -1.26 -5.14 118.95 109.99 3igb s ARG 112 Ca -0.04 -1.05 -0.20 0.00 -0.52 0.00 0.00 55.73 53.91 3igb s ARG 112 Cb 0.14 -0.03 0.05 0.00 0.52 0.00 0.00 34.95 35.63 3igb s ARG 112 CO 0.89 -0.04 0.51 1.52 0.02 0.00 0.00 175.30 178.20 3igb s TYR 113 N -2.88 -0.40 0.00 -0.53 -0.85 -1.26 -4.90 117.35 106.54 3igb s TYR 113 Ca 0.01 0.17 -0.30 0.00 -0.52 0.00 0.00 57.07 56.43 3igb s TYR 113 Cb 0.00 0.42 -0.07 0.00 0.38 0.00 0.00 41.96 42.69 3igb s TYR 113 CO -0.05 -0.77 1.67 -0.47 -1.52 0.00 0.00 175.55 174.41 3igb s TYR 114 N -3.63 2.13 -0.42 -3.49 5.04 0.56 -4.93 117.35 112.61 3igb s TYR 114 Ca 0.01 0.21 -0.05 0.00 -2.44 0.00 0.00 57.07 54.81 3igb s TYR 114 Cb 0.00 -3.95 0.11 0.00 0.35 0.00 0.00 41.96 38.47 3igb s TYR 114 CO -0.11 -3.94 0.24 -0.65 -1.34 0.00 0.00 175.55 169.75 3igb s GLN 115 N 3.45 2.15 0.24 4.97 -0.21 -1.26 -4.29 119.66 124.71 3igb s GLN 115 Ca 0.74 -1.78 -0.06 0.00 0.02 0.00 0.00 55.36 54.28 3igb s GLN 115 Cb -0.36 -3.67 0.32 0.00 1.00 0.00 0.00 33.01 30.30 3igb s GLN 115 CO 0.32 -1.09 1.84 0.00 -2.12 0.00 0.00 175.29 174.24 3igb h ARG 116 N 8.16 0.88 0.00 2.91 3.08 -1.93 -2.17 114.38 125.31 3igb h ARG 116 Ca -0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3igb h ARG 116 Cb 1.06 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3igb h ARG 116 CO 0.74 0.58 0.00 -0.56 -1.07 0.00 0.00 179.97 179.66 3igb h GLN 117 N 0.91 0.00 -0.01 0.04 -0.00 -2.00 -0.18 115.11 113.87 3igb h GLN 117 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.01 3igb h GLN 117 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 3igb h GLN 117 CO -0.18 0.00 -0.13 1.28 -0.00 0.00 0.00 178.83 179.80 3igb n LEU 118 N -2.82 0.66 -4.39 0.06 4.32 -0.82 -4.82 117.00 109.19 3igb n LEU 118 Ca -0.00 -0.10 -0.37 0.00 -0.02 0.00 0.00 56.01 55.52 3igb n LEU 118 Cb 0.19 -0.14 -0.12 0.00 -1.62 0.00 0.00 43.42 41.72 3igb n LEU 118 CO 0.22 0.12 -0.27 -0.55 -1.22 0.00 0.00 177.39 175.68 3igb s SER 119 N -2.42 5.14 0.23 -1.43 0.15 -0.08 -4.20 113.70 111.10 3igb s SER 119 Ca 0.29 -0.49 0.24 0.00 0.70 0.00 0.00 55.95 56.69 3igb s SER 119 Cb 0.20 -1.91 0.93 0.00 -1.71 0.00 0.00 66.02 63.54 3igb s SER 119 CO 0.47 -0.13 1.72 -1.54 1.20 0.00 0.00 173.24 174.96 3igb n SER 120 N 4.90 0.67 -0.55 5.45 3.41 0.04 -2.91 113.62 124.64 3igb n SER 120 Ca -0.15 0.64 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 3igb n SER 120 Cb 0.49 -0.79 0.05 0.00 -0.26 0.00 0.00 64.21 63.71 3igb n SER 120 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3igb n THR 121 N -2.21 0.00 -1.93 6.66 -2.24 -1.26 -4.98 114.28 108.32 3igb n THR 121 Ca 0.03 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.92 3igb n THR 121 Cb 0.28 1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 69.78 3igb n THR 121 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3igb s TYR 122 N -1.26 2.84 -0.12 4.78 5.04 -1.15 -4.56 117.35 122.93 3igb s TYR 122 Ca 0.16 1.13 -0.01 0.00 -2.44 0.00 0.00 57.07 55.91 3igb s TYR 122 Cb 0.12 -3.89 0.04 0.00 0.35 0.00 0.00 41.96 38.57 3igb s TYR 122 CO 0.20 -2.71 -0.02 1.03 -1.34 0.00 0.00 175.55 172.71 3igb s ARG 123 N -1.33 0.94 0.25 4.97 0.52 -0.43 -5.01 118.95 118.87 3igb s ARG 123 Ca 0.55 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.29 3igb s ARG 123 Cb -0.44 -1.48 -0.10 0.00 0.52 0.00 0.00 34.95 33.45 3igb s ARG 123 CO 0.53 -0.38 1.43 0.34 0.02 0.00 0.00 175.30 177.24 3igb s ASP 124 N 1.84 6.66 0.00 0.23 -1.08 -1.26 -1.05 116.67 122.02 3igb s ASP 124 Ca 0.03 2.66 0.25 0.00 -0.52 0.00 0.00 52.55 54.98 3igb s ASP 124 Cb -0.14 -2.63 0.50 0.00 -1.46 0.00 0.00 42.92 39.20 3igb s ASP 124 CO -0.07 -0.69 1.43 0.18 0.52 0.00 0.00 175.17 176.55 3igb n LEU 125 N 2.22 2.30 -3.67 -1.34 4.77 -0.79 -4.89 117.00 115.60 3igb n LEU 125 Ca 0.06 -0.77 -0.22 0.00 -0.03 0.00 0.00 56.01 55.06 3igb n LEU 125 Cb 0.40 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3igb n LEU 125 CO 0.60 0.39 -0.12 0.54 -1.33 0.00 0.00 177.39 177.47 3igb n ARG 126 N 0.73 -1.41 -3.63 3.23 3.00 -1.26 -4.98 116.66 112.35 3igb n ARG 126 Ca 0.15 0.84 -0.01 0.00 -0.01 0.00 0.00 57.85 58.82 3igb n ARG 126 Cb 0.49 -3.03 -0.06 0.00 0.00 0.00 0.00 32.46 29.86 3igb n ARG 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3igb s LYS 127 N -4.77 0.32 0.47 5.56 2.20 -1.26 -5.05 119.74 117.21 3igb s LYS 127 Ca 0.05 0.58 0.04 0.00 -0.36 0.00 0.00 55.97 56.27 3igb s LYS 127 Cb -0.02 0.09 0.02 0.00 -1.51 0.00 0.00 37.83 36.40 3igb s LYS 127 CO 0.87 -0.07 0.66 0.20 -0.36 0.00 0.00 175.35 176.65 3igb s GLY 128 N 1.38 1.80 -0.03 5.54 0.00 -1.26 -0.40 107.32 114.34 3igb s GLY 128 Ca -0.08 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.23 3igb s GLY 128 CO -0.14 -1.20 -0.00 -1.34 0.00 0.00 0.00 173.10 170.42 3igb s VAL 129 N -2.53 0.21 -0.16 1.40 -7.23 0.06 -4.83 120.40 107.32 3igb s VAL 129 Ca 0.54 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.78 3igb s VAL 129 Cb -0.10 -0.30 0.01 0.00 0.56 0.00 0.00 36.38 36.55 3igb s VAL 129 CO 0.36 0.15 -0.19 -0.72 -0.31 0.00 0.00 175.10 174.39 3igb s TYR 130 N 1.01 2.75 -0.50 2.82 -0.00 -1.26 -1.23 117.35 120.93 3igb s TYR 130 Ca -0.10 -1.42 0.03 0.00 -0.00 0.00 0.00 57.07 55.58 3igb s TYR 130 Cb -0.14 -1.88 0.15 0.00 -0.00 0.00 0.00 41.96 40.09 3igb s TYR 130 CO -0.02 -0.68 0.32 0.08 -0.00 0.00 0.00 175.55 175.25 3igb s VAL 131 N 1.06 1.65 0.57 -3.49 1.01 -0.37 -5.01 120.40 115.82 3igb s VAL 131 Ca -0.01 -3.03 -0.15 0.00 0.00 0.00 0.00 61.98 58.79 3igb s VAL 131 Cb -0.14 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 3igb s VAL 131 CO -0.07 -0.97 1.02 -2.84 0.00 0.00 0.00 175.10 172.24 3igb s PRO 132 N -0.17 3.64 0.00 2.72 0.02 -1.26 -2.09 135.00 137.86 3igb s PRO 132 Ca 0.22 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.23 3igb s PRO 132 Cb -0.15 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.29 3igb s PRO 132 CO -0.07 -0.54 0.00 2.48 -0.33 0.00 0.00 177.00 178.54 3igb n TYR 133 N -2.03 -0.73 -3.82 6.54 0.18 -1.26 -5.00 117.16 111.05 3igb n TYR 133 Ca 0.07 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.76 3igb n TYR 133 Cb 0.54 0.15 -0.06 0.00 -0.38 0.00 0.00 39.34 39.59 3igb n TYR 133 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 3igb s LYS 137 N -1.51 1.17 -0.03 -3.48 -2.85 -0.67 -5.24 119.74 107.14 3igb s LYS 137 Ca 0.00 -0.97 -0.06 0.00 -1.00 0.00 0.00 55.97 53.94 3igb s LYS 137 Cb 0.00 0.43 0.01 0.00 -2.06 0.00 0.00 37.83 36.21 3igb s LYS 137 CO 0.00 -0.45 0.15 1.67 0.10 0.00 0.00 175.35 176.81 3igb s TRP 138 N -3.90 -0.05 0.09 1.78 1.48 -0.89 -0.65 118.94 116.81 3igb s TRP 138 Ca 0.11 0.11 0.04 0.00 -1.06 0.00 0.00 56.10 55.30 3igb s TRP 138 Cb 0.02 -0.00 -0.03 0.00 -1.16 0.00 0.00 33.47 32.29 3igb s TRP 138 CO -0.04 -0.20 -0.11 -1.83 -4.06 0.00 0.00 176.95 170.71 3igb s GLU 139 N -0.74 0.82 0.06 3.25 -1.05 -0.05 -1.23 118.70 119.76 3igb s GLU 139 Ca -0.08 -1.09 -0.08 0.00 -0.15 0.00 0.00 54.97 53.57 3igb s GLU 139 Cb -0.05 -0.59 0.03 0.00 -0.44 0.00 0.00 34.13 33.08 3igb s GLU 139 CO 0.01 0.10 0.38 0.41 0.95 0.00 0.00 175.26 177.11 3igb n GLY 140 N 0.78 1.00 3.41 -3.83 0.00 -0.37 -1.64 105.19 104.54 3igb n GLY 140 Ca -0.18 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 3igb n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3igb s GLU 141 N -2.02 2.92 0.26 1.61 2.02 -0.57 -0.76 118.70 122.17 3igb s GLU 141 Ca 0.08 -0.70 -0.25 0.00 0.02 0.00 0.00 54.97 54.12 3igb s GLU 141 Cb -0.01 -2.48 -0.09 0.00 0.10 0.00 0.00 34.13 31.65 3igb s GLU 141 CO 0.02 0.42 0.86 -0.51 0.02 0.00 0.00 175.26 176.07 3igb s LEU 142 N -0.19 4.42 0.00 1.80 1.43 0.46 -1.34 118.68 125.26 3igb s LEU 142 Ca -0.00 1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 54.64 3igb s LEU 142 Cb -0.13 -3.75 0.07 0.00 0.03 0.00 0.00 46.19 42.40 3igb s LEU 142 CO 0.03 0.03 0.89 0.61 0.23 0.00 0.00 176.35 178.14 3igb n GLY 143 N 0.87 0.81 3.41 -3.19 0.00 -0.76 -1.88 105.19 104.45 3igb n GLY 143 Ca -0.01 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.59 3igb n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3igb s THR 144 N -2.10 2.19 0.27 2.61 -4.23 -0.21 -0.09 115.64 114.08 3igb s THR 144 Ca 0.19 -2.23 -0.21 0.00 -1.18 0.00 0.00 61.69 58.26 3igb s THR 144 Cb -0.04 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.69 3igb s THR 144 CO 0.08 -0.38 0.77 -0.62 -0.54 0.00 0.00 174.62 173.93 3igb s ASP 145 N -3.20 -0.22 0.14 3.99 -1.08 -0.91 -1.31 116.67 114.08 3igb s ASP 145 Ca 0.25 -0.63 -0.30 0.00 -0.52 0.00 0.00 52.55 51.35 3igb s ASP 145 Cb -0.05 0.70 -0.06 0.00 -1.46 0.00 0.00 42.92 42.05 3igb s ASP 145 CO 0.11 -1.31 1.02 -0.76 0.52 0.00 0.00 175.17 174.75 3igb s LEU 146 N -2.94 4.49 -0.03 -1.34 1.43 -1.26 -1.55 118.68 117.48 3igb s LEU 146 Ca 0.12 1.91 0.02 0.00 -1.03 0.00 0.00 54.13 55.15 3igb s LEU 146 Cb -0.05 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.58 3igb s LEU 146 CO 0.07 -0.13 -0.08 -0.69 0.23 0.00 0.00 176.35 175.74 3igb s VAL 147 N -0.07 0.72 0.16 -1.59 1.01 0.14 -0.97 120.40 119.80 3igb s VAL 147 Ca 0.48 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3igb s VAL 147 Cb -0.26 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3igb s VAL 147 CO 0.32 0.24 -0.04 -0.44 0.00 0.00 0.00 175.10 175.17 3igb s SER 148 N 0.35 1.43 -0.34 3.32 0.01 -0.60 -1.12 113.70 116.74 3igb s SER 148 Ca -0.05 -1.10 0.02 0.00 1.31 0.00 0.00 55.95 56.13 3igb s SER 148 Cb -0.10 0.07 0.10 0.00 0.21 0.00 0.00 66.02 66.30 3igb s SER 148 CO 0.01 -0.47 0.09 -0.63 0.41 0.00 0.00 173.24 172.64 3igb s ILE 149 N -3.53 1.64 0.23 1.44 1.01 -1.26 -0.73 121.20 119.99 3igb s ILE 149 Ca 0.20 -1.98 -0.07 0.00 0.00 0.00 0.00 60.65 58.80 3igb s ILE 149 Cb 0.05 -2.22 0.20 0.00 0.01 0.00 0.00 42.46 40.50 3igb s ILE 149 CO 0.02 -0.65 1.70 -0.65 0.00 0.00 0.00 174.94 175.36 3igb h PRO 150 N 7.75 0.29 -1.62 2.79 0.11 -1.90 0.11 132.00 139.52 3igb h PRO 150 Ca -0.08 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 65.33 3igb h PRO 150 Cb 1.01 -0.06 -0.26 0.00 0.11 0.00 0.00 31.00 31.80 3igb h PRO 150 CO 0.50 0.19 0.90 0.72 -0.21 0.00 0.00 178.00 180.10 3igb n HIS 151 N -5.12 2.84 -1.97 0.65 8.25 -1.26 -4.89 115.22 113.72 3igb n HIS 151 Ca 0.12 -2.51 0.00 0.00 -0.26 0.00 0.00 57.72 55.06 3igb n HIS 151 Cb 0.38 -1.29 0.00 0.00 1.12 0.00 0.00 29.99 30.21 3igb n HIS 151 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3igb n GLY 152 N -0.48 5.42 3.77 -1.41 0.00 0.38 -4.25 105.19 108.63 3igb n GLY 152 Ca 0.55 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 3igb n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3igb s PRO 153 N 2.04 3.65 -1.48 1.61 0.04 -1.26 -4.85 135.00 134.75 3igb s PRO 153 Ca 0.00 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 3igb s PRO 153 Cb 0.00 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.24 3igb s PRO 153 CO 0.00 -0.64 2.41 -1.71 0.04 0.00 0.00 177.00 177.10 3igb n ASN 154 N -0.67 5.63 -4.17 6.66 5.15 -1.26 -4.65 115.26 121.94 3igb n ASN 154 Ca 0.08 -2.81 -0.11 0.00 -0.60 0.00 0.00 54.58 51.14 3igb n ASN 154 Cb 0.48 -1.59 -0.10 0.00 -0.53 0.00 0.00 39.78 38.04 3igb n ASN 154 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3igb s VAL 155 N 2.34 0.13 -0.00 3.44 -7.23 -1.26 -5.16 120.40 112.65 3igb s VAL 155 Ca 0.53 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 3igb s VAL 155 Cb 0.15 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 3igb s VAL 155 CO -0.07 -0.34 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.35 3igb s THR 156 N -4.04 1.11 0.02 5.32 2.01 -1.26 -4.52 115.64 114.28 3igb s THR 156 Ca 0.28 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.67 3igb s THR 156 Cb 0.07 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 3igb s THR 156 CO 0.05 0.27 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.43 3igb s VAL 157 N -0.40 0.98 -0.42 3.82 1.01 -0.28 -4.91 120.40 120.19 3igb s VAL 157 Ca 0.05 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3igb s VAL 157 Cb -0.06 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.47 3igb s VAL 157 CO -0.00 0.07 0.70 -0.60 0.00 0.00 0.00 175.10 175.27 3igb s ARG 158 N -0.83 3.43 0.22 2.72 3.52 -1.26 0.28 118.95 127.02 3igb s ARG 158 Ca 0.02 -0.15 0.11 0.00 -0.13 0.00 0.00 55.73 55.58 3igb s ARG 158 Cb -0.07 -3.91 -0.05 0.00 -1.56 0.00 0.00 34.95 29.37 3igb s ARG 158 CO 0.01 -0.99 -0.22 0.00 -0.81 0.00 0.00 175.30 173.29 3igb s ALA 159 N 2.99 2.54 0.28 6.12 0.00 -0.59 -4.91 121.76 128.19 3igb s ALA 159 Ca 0.26 -1.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.22 3igb s ALA 159 Cb -0.13 -0.29 -0.11 0.00 0.00 0.00 0.00 23.12 22.59 3igb s ALA 159 CO 0.19 0.36 1.54 -0.80 0.00 0.00 0.00 175.76 177.06 3igb s ASN 160 N -2.93 6.47 -0.07 0.00 0.01 -1.26 -2.13 114.94 115.02 3igb s ASN 160 Ca 0.23 2.85 0.01 0.00 -0.71 0.00 0.00 52.86 55.24 3igb s ASN 160 Cb -0.07 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 38.98 3igb s ASN 160 CO 0.11 -0.84 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.17 3igb s ILE 161 N -0.01 0.76 -0.38 0.60 1.01 0.88 -4.57 121.20 119.48 3igb s ILE 161 Ca 0.62 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.88 3igb s ILE 161 Cb -0.46 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.24 3igb s ILE 161 CO 0.46 0.29 0.51 0.00 0.00 0.00 0.00 174.94 176.21 3igb s ALA 162 N 1.19 3.44 -0.53 9.38 0.00 0.07 -1.83 121.76 133.48 3igb s ALA 162 Ca -0.06 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.48 3igb s ALA 162 Cb -0.14 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 19.95 3igb s ALA 162 CO -0.02 -1.42 0.87 0.00 0.00 0.00 0.00 175.76 175.19 3igb s ALA 163 N 2.40 3.22 -0.29 0.00 0.00 -0.45 -0.82 121.76 125.82 3igb s ALA 163 Ca 0.17 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 3igb s ALA 163 Cb -0.16 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 3igb s ALA 163 CO 0.14 -2.26 1.59 0.42 0.00 0.00 0.00 175.76 175.66 3igb s ILE 164 N 3.63 3.72 -0.14 0.00 1.01 0.27 -1.51 121.20 128.17 3igb s ILE 164 Ca 0.28 0.78 0.18 0.00 0.00 0.00 0.00 60.65 61.88 3igb s ILE 164 Cb -0.14 -3.82 -0.25 0.00 0.01 0.00 0.00 42.46 38.26 3igb s ILE 164 CO 0.18 -0.42 0.30 0.35 0.00 0.00 0.00 174.94 175.34 3igb n THR 165 N 6.77 1.15 -3.86 2.92 -2.24 -0.65 -1.10 114.28 117.26 3igb n THR 165 Ca 0.19 -0.77 -0.11 0.00 -2.27 0.00 0.00 64.05 61.09 3igb n THR 165 Cb 0.46 -0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 68.12 3igb n THR 165 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3igb s GLU 166 N -2.73 0.57 -0.06 -0.78 2.56 -1.12 -4.79 118.70 112.35 3igb s GLU 166 Ca -0.08 -0.50 -0.30 0.00 0.00 0.00 0.00 54.97 54.09 3igb s GLU 166 Cb 0.08 0.24 0.09 0.00 2.00 0.00 0.00 34.13 36.54 3igb s GLU 166 CO 0.84 -0.15 0.80 -1.54 -0.56 0.00 0.00 175.26 174.66 3igb s SER 167 N -1.69 -0.52 -0.10 -1.70 1.04 -1.26 -0.87 113.70 108.59 3igb s SER 167 Ca -0.11 0.47 -0.00 0.00 0.48 0.00 0.00 55.95 56.80 3igb s SER 167 Cb -0.05 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.54 3igb s SER 167 CO -0.01 -0.55 -0.08 -0.62 0.98 0.00 0.00 173.24 172.97 3igb s ASP 168 N -1.43 2.08 -1.30 7.02 2.15 0.18 -4.80 116.67 120.57 3igb s ASP 168 Ca -0.05 -0.29 -0.07 0.00 0.43 0.00 0.00 52.55 52.57 3igb s ASP 168 Cb -0.00 -0.81 0.05 0.00 -0.30 0.00 0.00 42.92 41.85 3igb s ASP 168 CO 0.03 -0.10 0.43 0.29 -0.17 0.00 0.00 175.17 175.65 3igb n LYS 169 N 4.81 -3.52 -0.10 4.34 5.02 -1.26 -1.67 118.16 125.78 3igb n LYS 169 Ca -0.14 0.59 -0.15 0.00 -2.02 0.00 0.00 58.31 56.59 3igb n LYS 169 Cb 0.50 -5.31 -0.05 0.00 -0.02 0.00 0.00 35.03 30.15 3igb n LYS 169 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3igb n PHE 170 N -3.97 0.06 -2.41 2.13 7.35 -1.26 -4.78 117.46 114.57 3igb n PHE 170 Ca -0.06 0.02 -0.34 0.00 -0.76 0.00 0.00 57.45 56.31 3igb n PHE 170 Cb 0.57 -0.66 -0.02 0.00 0.35 0.00 0.00 39.48 39.72 3igb n PHE 170 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3igb s PHE 171 N -2.76 2.84 -0.14 -5.13 0.40 -1.26 -5.04 117.98 106.89 3igb s PHE 171 Ca -0.31 1.56 -0.03 0.00 -0.60 0.00 0.00 56.93 57.55 3igb s PHE 171 Cb 0.07 -3.17 -0.02 0.00 0.51 0.00 0.00 43.02 40.41 3igb s PHE 171 CO 0.44 -1.18 -0.06 0.42 0.70 0.00 0.00 175.22 175.54 3igb s ILE 172 N -1.89 3.66 0.06 0.64 1.01 -1.26 -5.03 121.20 118.39 3igb s ILE 172 Ca 0.70 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 3igb s ILE 172 Cb -0.20 -2.58 -0.09 0.00 0.01 0.00 0.00 42.46 39.60 3igb s ILE 172 CO 0.23 0.51 1.91 0.21 0.00 0.00 0.00 174.94 177.80 3igb s ASN 173 N 0.31 6.45 0.00 3.58 2.47 -1.26 -2.62 114.94 123.87 3igb s ASN 173 Ca -0.06 2.67 0.00 0.00 0.42 0.00 0.00 52.86 55.90 3igb s ASN 173 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3igb s ASN 173 CO 0.04 -1.03 0.00 0.61 -3.72 0.00 0.00 177.10 172.99 3igb n GLY 174 N 4.43 0.88 0.26 1.21 0.00 -1.26 -4.90 105.19 105.81 3igb n GLY 174 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 3igb n GLY 174 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3igb h SER 175 N 0.00 0.00 -0.38 1.61 4.64 -1.86 -3.47 113.55 114.09 3igb h SER 175 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3igb h SER 175 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3igb h SER 175 CO 0.00 0.09 -0.15 -3.20 -0.87 0.00 0.00 176.83 172.70 3igb n ASN 176 N -3.23 -4.31 -4.51 4.97 5.15 -1.26 -4.47 115.26 107.60 3igb n ASN 176 Ca 0.00 0.20 -0.27 0.00 -0.60 0.00 0.00 54.58 53.91 3igb n ASN 176 Cb 0.35 -2.51 -0.10 0.00 -0.53 0.00 0.00 39.78 36.99 3igb n ASN 176 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3igb s TRP 177 N -2.17 2.52 -0.20 1.20 1.48 -1.26 -4.63 118.94 115.86 3igb s TRP 177 Ca 0.00 -0.27 0.02 0.00 -1.06 0.00 0.00 56.10 54.79 3igb s TRP 177 Cb 0.00 -1.26 0.03 0.00 -1.16 0.00 0.00 33.47 31.09 3igb s TRP 177 CO 0.00 0.48 0.77 0.39 -4.06 0.00 0.00 176.95 174.53 3igb n GLU 178 N 0.26 0.87 -3.91 3.25 4.71 0.19 -4.87 120.64 121.14 3igb n GLU 178 Ca -0.12 -1.04 -0.02 0.00 -0.01 0.00 0.00 57.16 55.97 3igb n GLU 178 Cb 0.55 -1.04 0.02 0.00 -1.01 0.00 0.00 31.44 29.96 3igb n GLU 178 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3igb s GLY 179 N -0.52 0.10 -0.02 0.62 0.00 -1.15 -0.26 107.32 106.08 3igb s GLY 179 Ca 0.03 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.46 3igb s GLY 179 CO 0.03 3.10 -0.12 -0.42 0.00 0.00 0.00 173.10 175.69 3igb s ILE 180 N -2.09 0.95 -0.50 0.90 1.01 0.29 -0.55 121.20 121.22 3igb s ILE 180 Ca 0.24 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3igb s ILE 180 Cb -0.02 -0.82 0.13 0.00 0.01 0.00 0.00 42.46 41.76 3igb s ILE 180 CO 0.05 0.28 0.34 -0.22 0.00 0.00 0.00 174.94 175.38 3igb s LEU 181 N -0.05 5.47 -0.39 2.97 2.96 0.15 -1.39 118.68 128.40 3igb s LEU 181 Ca 0.00 -2.23 -0.29 0.00 -0.22 0.00 0.00 54.13 51.39 3igb s LEU 181 Cb -0.07 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.71 3igb s LEU 181 CO 0.00 -0.55 1.43 -0.83 -1.32 0.00 0.00 176.35 175.08 3igb s GLY 182 N 1.83 1.12 0.00 7.98 0.00 -0.49 -1.69 107.32 116.07 3igb s GLY 182 Ca 0.10 -0.08 0.24 0.00 0.00 0.00 0.00 44.72 44.98 3igb s GLY 182 CO -0.03 2.78 1.26 1.04 0.00 0.00 0.00 173.10 178.15 3igb n LEU 183 N 8.75 2.36 0.00 0.66 4.77 0.51 -4.18 117.00 129.86 3igb n LEU 183 Ca 0.17 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3igb n LEU 183 Cb 0.48 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3igb n LEU 183 CO 0.69 0.41 0.00 0.00 -1.33 0.00 0.00 177.39 177.16 3igb n ALA 184 N 0.58 0.00 -2.52 -1.18 0.00 0.58 -4.93 120.51 113.04 3igb n ALA 184 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.33 3igb n ALA 184 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 3igb n ALA 184 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3igb s TYR 185 N -0.64 3.41 0.52 0.00 1.51 -0.40 -4.65 117.35 117.10 3igb s TYR 185 Ca 0.00 0.33 0.21 0.00 -1.01 0.00 0.00 57.07 56.60 3igb s TYR 185 Cb 0.00 -2.06 1.32 0.00 -0.11 0.00 0.00 41.96 41.12 3igb s TYR 185 CO 0.00 -0.06 2.04 0.00 -1.11 0.00 0.00 175.55 176.42 3igb h ALA 186 N 0.61 2.30 -0.98 3.71 0.00 -1.86 -2.41 119.26 120.62 3igb h ALA 186 Ca -0.48 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 54.69 3igb h ALA 186 Cb 1.23 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 3igb h ALA 186 CO 0.60 -0.41 0.53 1.49 0.00 0.00 0.00 179.25 181.46 3igb h GLU 187 N 0.04 0.42 -0.53 0.00 4.81 -1.87 -0.45 114.58 117.00 3igb h GLU 187 Ca 0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3igb h GLU 187 Cb 0.66 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3igb h GLU 187 CO -0.01 0.28 0.00 0.44 -0.73 0.00 0.00 179.01 178.99 3igb n ILE 188 N -4.99 0.85 -2.18 2.32 -5.35 -0.91 -4.64 119.36 104.46 3igb n ILE 188 Ca 0.28 -0.93 -0.36 0.00 -0.27 0.00 0.00 62.75 61.47 3igb n ILE 188 Cb 0.82 0.64 0.01 0.00 -1.74 0.00 0.00 39.64 39.36 3igb n ILE 188 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3igb s ALA 189 N -1.10 2.79 -0.04 -1.28 0.00 -0.18 -4.68 121.76 117.27 3igb s ALA 189 Ca 0.39 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 53.28 3igb s ALA 189 Cb 0.21 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3igb s ALA 189 CO 0.28 -0.84 0.06 1.03 0.00 0.00 0.00 175.76 176.29 3igb s ARG 190 N -3.02 3.07 0.36 0.00 1.81 -1.26 -2.76 118.95 117.15 3igb s ARG 190 Ca 0.70 -0.42 0.19 0.00 -1.72 0.00 0.00 55.73 54.47 3igb s ARG 190 Cb -0.28 -2.87 0.48 0.00 -0.45 0.00 0.00 34.95 31.83 3igb s ARG 190 CO 0.33 0.68 1.64 -1.35 -0.68 0.00 0.00 175.30 175.91 3igb h PRO 191 N 4.56 0.00 0.00 3.54 0.11 -1.95 -3.46 132.00 134.80 3igb h PRO 191 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3igb h PRO 191 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3igb h PRO 191 CO 0.59 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 3igb n ASP 192 N -3.33 0.00 -0.28 -2.05 3.85 -1.11 -5.04 116.55 108.59 3igb n ASP 192 Ca 0.01 -0.73 0.14 0.00 -0.71 0.00 0.00 54.79 53.50 3igb n ASP 192 Cb 0.58 0.00 0.68 0.00 -1.35 0.00 0.00 41.12 41.03 3igb n ASP 192 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3igb n ASP 193 N -1.18 0.86 0.17 -1.12 5.68 -1.26 -3.19 116.55 116.51 3igb n ASP 193 Ca 0.00 -1.31 0.05 0.00 -0.50 0.00 0.00 54.79 53.03 3igb n ASP 193 Cb 0.00 -0.01 0.14 0.00 -1.14 0.00 0.00 41.12 40.12 3igb n ASP 193 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3igb h SER 194 N 1.32 0.00 -2.05 -1.12 4.64 -1.92 -3.42 113.55 111.00 3igb h SER 194 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3igb h SER 194 Cb 0.28 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 3igb h SER 194 CO 0.00 0.37 1.16 -0.22 -0.87 0.00 0.00 176.83 177.28 3igb s LEU 195 N -6.51 3.23 0.17 5.97 2.96 -1.19 -4.96 118.68 118.35 3igb s LEU 195 Ca 0.04 -0.42 -0.33 0.00 -0.22 0.00 0.00 54.13 53.20 3igb s LEU 195 Cb 0.08 -2.55 -0.12 0.00 0.50 0.00 0.00 46.19 44.09 3igb s LEU 195 CO 0.71 -1.95 1.70 1.21 -1.32 0.00 0.00 176.35 176.70 3igb n GLU 196 N 9.26 2.55 -1.55 1.98 2.13 -1.26 -4.91 120.64 128.84 3igb n GLU 196 Ca 0.12 0.92 -0.32 0.00 0.66 0.00 0.00 57.16 58.54 3igb n GLU 196 Cb 0.50 -2.75 0.07 0.00 0.27 0.00 0.00 31.44 29.53 3igb n GLU 196 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3igb s PRO 197 N 1.37 2.53 0.16 5.31 0.02 -1.26 -4.52 135.00 138.60 3igb s PRO 197 Ca 0.78 1.37 -0.22 0.00 0.02 0.00 0.00 61.00 62.95 3igb s PRO 197 Cb -0.57 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.09 3igb s PRO 197 CO 0.35 -1.46 1.62 0.35 -0.33 0.00 0.00 177.00 177.54 3igb h PHE 198 N -0.38 -0.65 -0.63 6.54 3.04 -1.81 -1.35 116.94 121.70 3igb h PHE 198 Ca -0.46 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.50 3igb h PHE 198 Cb 1.25 0.33 -0.03 0.00 2.56 0.00 0.00 35.95 40.06 3igb h PHE 198 CO 0.55 -0.32 0.25 0.35 -2.02 0.00 0.00 178.31 177.12 3igb h PHE 199 N -0.22 0.92 -0.33 0.41 3.57 -1.92 0.13 116.94 119.50 3igb h PHE 199 Ca 0.16 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3igb h PHE 199 Cb 0.47 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3igb h PHE 199 CO -0.43 0.71 0.17 -0.44 -2.23 0.00 0.00 178.31 176.09 3igb h ASP 200 N 0.90 0.26 -0.70 0.41 3.32 -1.75 -0.30 116.42 118.55 3igb h ASP 200 Ca 0.21 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3igb h ASP 200 Cb 0.17 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3igb h ASP 200 CO -0.02 0.19 0.45 0.28 -1.72 0.00 0.00 179.24 178.42 3igb h SER 201 N 0.35 0.82 -0.09 6.45 0.02 -0.14 -0.61 113.55 120.36 3igb h SER 201 Ca 0.14 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3igb h SER 201 Cb 0.04 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 3igb h SER 201 CO -0.09 0.61 0.06 0.25 -1.14 0.00 0.00 176.83 176.51 3igb h LEU 202 N 0.95 0.10 -0.16 5.07 5.85 -0.45 0.93 115.31 127.60 3igb h LEU 202 Ca 0.25 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3igb h LEU 202 Cb -0.09 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3igb h LEU 202 CO -0.05 0.10 0.10 0.58 -0.34 0.00 0.00 178.44 178.82 3igb h VAL 203 N 0.10 1.08 -0.53 1.05 2.07 -0.83 -1.23 116.25 117.97 3igb h VAL 203 Ca 0.03 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 3igb h VAL 203 Cb 0.01 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3igb h VAL 203 CO -0.01 0.08 0.05 0.11 0.02 0.00 0.00 177.57 177.82 3igb h LYS 204 N 0.18 0.86 0.00 1.57 1.57 -0.89 -3.15 116.57 116.70 3igb h LYS 204 Ca 0.06 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3igb h LYS 204 Cb 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3igb h LYS 204 CO -0.01 0.83 -0.66 1.04 -0.57 0.00 0.00 179.45 180.08 3igb n GLN 205 N -4.23 0.25 -4.38 3.15 6.02 0.30 -4.94 117.38 113.55 3igb n GLN 205 Ca 0.03 0.06 -0.25 0.00 -0.01 0.00 0.00 57.00 56.83 3igb n GLN 205 Cb 0.28 -1.65 -0.07 0.00 1.02 0.00 0.00 30.24 29.82 3igb n GLN 205 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3igb n THR 206 N -2.01 0.00 0.24 5.09 -2.24 -0.47 -5.03 114.28 109.86 3igb n THR 206 Ca 0.03 -2.34 0.08 0.00 -2.27 0.00 0.00 64.05 59.55 3igb n THR 206 Cb 0.43 0.82 0.24 0.00 -2.10 0.00 0.00 70.33 69.71 3igb n THR 206 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3igb n HIS 207 N -0.93 0.82 -1.85 4.78 8.25 -1.26 -4.75 115.22 120.29 3igb n HIS 207 Ca -0.07 -0.37 -0.42 0.00 -0.26 0.00 0.00 57.72 56.60 3igb n HIS 207 Cb 0.60 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 3igb n HIS 207 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3igb s VAL 208 N -1.48 3.25 0.49 1.59 1.01 -1.26 -4.93 120.40 119.07 3igb s VAL 208 Ca 0.35 0.37 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 3igb s VAL 208 Cb 0.20 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 33.26 3igb s VAL 208 CO 0.21 -0.03 1.12 -2.65 0.00 0.00 0.00 175.10 173.76 3igb n PRO 209 N 7.09 1.44 -1.86 2.72 -0.02 -1.26 -4.60 135.00 138.50 3igb n PRO 209 Ca 0.18 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 3igb n PRO 209 Cb 0.42 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3igb n PRO 209 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3igb n ASN 210 N -0.17 3.75 -3.61 2.55 5.15 -1.26 -4.20 115.26 117.48 3igb n ASN 210 Ca 0.10 -2.81 -0.09 0.00 -0.60 0.00 0.00 54.58 51.18 3igb n ASN 210 Cb 0.42 -1.57 -0.06 0.00 -0.53 0.00 0.00 39.78 38.04 3igb n ASN 210 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3igb s LEU 211 N 3.56 -0.34 0.16 1.20 0.20 -1.26 -1.06 118.68 121.14 3igb s LEU 211 Ca 0.54 0.48 -0.10 0.00 0.69 0.00 0.00 54.13 55.74 3igb s LEU 211 Cb 0.10 1.74 -0.01 0.00 -0.43 0.00 0.00 46.19 47.60 3igb s LEU 211 CO 0.03 -0.24 0.29 0.72 -0.29 0.00 0.00 176.35 176.86 3igb s PHE 212 N -0.64 0.35 0.01 5.38 -0.12 -1.15 0.18 117.98 122.00 3igb s PHE 212 Ca 0.01 -0.71 0.00 0.00 -0.05 0.00 0.00 56.93 56.18 3igb s PHE 212 Cb -0.02 -0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.33 3igb s PHE 212 CO -0.03 -0.72 -0.02 -1.54 -0.05 0.00 0.00 175.22 172.86 3igb s SER 213 N -2.95 0.18 -0.15 1.98 1.04 0.79 0.15 113.70 114.74 3igb s SER 213 Ca 0.16 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.25 3igb s SER 213 Cb 0.03 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.23 3igb s SER 213 CO -0.01 -0.21 -0.19 -0.76 0.98 0.00 0.00 173.24 173.05 3igb s LEU 214 N -1.03 2.00 -0.42 2.42 1.43 0.09 -0.49 118.68 122.68 3igb s LEU 214 Ca -0.11 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.34 3igb s LEU 214 Cb -0.07 -1.36 0.09 0.00 0.03 0.00 0.00 46.19 44.88 3igb s LEU 214 CO -0.01 0.03 0.26 -1.58 0.23 0.00 0.00 176.35 175.28 3igb s GLN 215 N 1.06 2.47 -0.21 1.70 0.74 0.03 -1.62 119.66 123.82 3igb s GLN 215 Ca -0.02 -1.58 -0.14 0.00 0.05 0.00 0.00 55.36 53.67 3igb s GLN 215 Cb -0.14 -3.75 -0.04 0.00 1.10 0.00 0.00 33.01 30.17 3igb s GLN 215 CO -0.06 -1.01 0.34 -0.51 -0.55 0.00 0.00 175.29 173.49 3igb s LEU 216 N 1.36 4.14 -0.02 3.68 1.43 -1.26 -0.71 118.68 127.29 3igb s LEU 216 Ca 0.04 0.40 0.20 0.00 -1.03 0.00 0.00 54.13 53.75 3igb s LEU 216 Cb -0.24 -2.40 -0.30 0.00 0.03 0.00 0.00 46.19 43.28 3igb s LEU 216 CO 0.00 -0.04 0.48 0.00 0.23 0.00 0.00 176.35 177.02 3igb n GLY 218 N 1.37 0.84 0.13 0.00 0.00 -1.22 -4.70 105.19 101.60 3igb n GLY 218 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3igb n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igb n ALA 219 N 6.67 0.62 -1.71 4.61 0.00 -1.26 -2.77 120.51 126.68 3igb n ALA 219 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 3igb n ALA 219 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3igb n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3igb n GLY 220 N 2.43 0.38 2.51 0.00 0.00 -1.26 -4.96 105.19 104.29 3igb n GLY 220 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3igb n GLY 220 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3igb n GLU 227 N -1.91 0.00 -4.27 1.61 -0.00 -1.26 -5.15 120.64 109.66 3igb n GLU 227 Ca -0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 57.16 56.79 3igb n GLU 227 Cb 0.37 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.73 3igb n GLU 227 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3igb s VAL 228 N 0.00 4.27 0.16 3.84 1.01 -1.26 -5.07 120.40 123.35 3igb s VAL 228 Ca 0.00 -0.51 -0.34 0.00 0.00 0.00 0.00 61.98 61.13 3igb s VAL 228 Cb 0.00 -2.89 -0.15 0.00 0.00 0.00 0.00 36.38 33.33 3igb s VAL 228 CO 0.00 0.41 1.34 -0.11 0.00 0.00 0.00 175.10 176.74 3igb n LEU 229 N 1.48 2.18 -4.76 3.92 7.94 -1.26 -4.85 117.00 121.65 3igb n LEU 229 Ca -0.15 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.46 3igb n LEU 229 Cb 0.53 -1.29 -0.00 0.00 0.53 0.00 0.00 43.42 43.18 3igb n LEU 229 CO 0.34 -0.88 1.09 0.00 -1.11 0.00 0.00 177.39 176.82 3igb n ALA 230 N 2.19 2.15 -2.09 1.96 0.00 -1.26 -4.70 120.51 118.75 3igb n ALA 230 Ca 0.15 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.54 3igb n ALA 230 Cb 0.25 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 3igb n ALA 230 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3igb s SER 231 N -0.17 7.40 0.13 0.00 0.01 -1.26 -0.12 113.70 119.69 3igb s SER 231 Ca 0.54 1.67 0.09 0.00 1.31 0.00 0.00 55.95 59.55 3igb s SER 231 Cb -0.50 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.17 3igb s SER 231 CO 0.63 0.11 -0.17 0.68 0.41 0.00 0.00 173.24 174.91 3igb s VAL 232 N -0.70 2.88 0.32 3.43 -7.23 0.43 -4.40 120.40 115.13 3igb s VAL 232 Ca 0.39 -1.54 0.06 0.00 -1.81 0.00 0.00 61.98 59.08 3igb s VAL 232 Cb -0.23 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 3igb s VAL 232 CO 0.27 0.07 0.00 -0.83 -0.31 0.00 0.00 175.10 174.30 3igb s GLY 233 N -2.25 2.06 -0.01 2.32 0.00 -1.12 -2.15 107.32 106.17 3igb s GLY 233 Ca 0.19 -2.05 -0.04 0.00 0.00 0.00 0.00 44.72 42.82 3igb s GLY 233 CO 0.11 -1.88 0.19 0.61 0.00 0.00 0.00 173.10 172.12 3igb n GLY 234 N -0.70 0.37 2.97 0.20 0.00 -1.00 -1.42 105.19 105.61 3igb n GLY 234 Ca -0.04 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 3igb n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3igb s SER 235 N -1.41 0.91 -0.33 1.61 0.01 0.11 -0.82 113.70 113.79 3igb s SER 235 Ca 0.04 -0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.11 3igb s SER 235 Cb -0.00 -0.20 0.04 0.00 0.21 0.00 0.00 66.02 66.07 3igb s SER 235 CO -0.00 0.05 0.08 -0.32 0.41 0.00 0.00 173.24 173.46 3igb s MET 236 N 0.11 2.59 -0.43 12.44 0.00 -1.26 -0.79 119.30 131.96 3igb s MET 236 Ca -0.01 -1.19 -0.19 0.00 0.00 0.00 0.00 55.69 54.30 3igb s MET 236 Cb -0.06 -3.40 0.02 0.00 0.00 0.00 0.00 34.83 31.40 3igb s MET 236 CO -0.00 -0.65 0.54 0.42 0.00 0.00 0.00 175.02 175.33 3igb s ILE 237 N 1.37 4.96 -0.21 10.11 -1.09 0.36 -4.87 121.20 131.83 3igb s ILE 237 Ca -0.02 -0.12 -0.14 0.00 -2.23 0.00 0.00 60.65 58.14 3igb s ILE 237 Cb -0.19 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 3igb s ILE 237 CO 0.02 -0.51 0.30 -0.63 -1.23 0.00 0.00 174.94 172.88 3igb s ILE 238 N 2.48 5.27 0.00 2.92 1.01 -1.26 -0.15 121.20 131.47 3igb s ILE 238 Ca 0.17 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.32 3igb s ILE 238 Cb -0.16 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3igb s ILE 238 CO 0.16 0.31 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3igb n GLY 239 N 3.95 0.63 0.00 6.18 0.00 0.13 -4.82 105.19 111.27 3igb n GLY 239 Ca -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3igb n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3igb n GLY 240 N -2.65 -1.11 3.17 -0.02 0.00 -1.25 -4.37 105.19 98.97 3igb n GLY 240 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 3igb n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3igb s ILE 241 N -3.00 1.85 -0.43 -0.61 1.01 -1.26 -4.17 121.20 114.59 3igb s ILE 241 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 3igb s ILE 241 Cb 0.00 -1.61 0.08 0.00 0.01 0.00 0.00 42.46 40.94 3igb s ILE 241 CO 0.00 0.51 0.29 -0.62 0.00 0.00 0.00 174.94 175.12 3igb s ASP 242 N 0.43 5.75 0.61 3.58 3.68 -1.26 -4.96 116.67 124.49 3igb s ASP 242 Ca -0.18 -1.46 0.35 0.00 2.13 0.00 0.00 52.55 53.39 3igb s ASP 242 Cb -0.17 -2.03 1.97 0.00 -1.45 0.00 0.00 42.92 41.24 3igb s ASP 242 CO 0.08 -0.56 2.26 0.45 0.13 0.00 0.00 175.17 177.53 3igb h HIS 243 N 8.48 0.00 0.00 -5.34 3.86 -1.98 -0.24 115.15 119.92 3igb h HIS 243 Ca -0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 3igb h HIS 243 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 3igb h HIS 243 CO 0.62 0.02 0.00 -1.13 0.86 0.00 0.00 177.93 178.29 3igb n SER 244 N -3.54 0.07 0.03 2.45 3.41 -1.26 -2.98 113.62 111.80 3igb n SER 244 Ca -0.03 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 3igb n SER 244 Cb 0.11 -0.53 0.29 0.00 -0.26 0.00 0.00 64.21 63.81 3igb n SER 244 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3igb n LEU 245 N -1.57 0.53 -4.03 1.04 4.77 -0.10 -4.73 117.00 112.91 3igb n LEU 245 Ca 0.04 0.21 -0.07 0.00 -0.03 0.00 0.00 56.01 56.16 3igb n LEU 245 Cb 0.19 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 3igb n LEU 245 CO 0.15 0.01 -0.29 -0.72 -1.33 0.00 0.00 177.39 175.21 3igb s TYR 246 N -3.08 0.43 0.19 -1.77 1.13 -1.16 -0.04 117.35 113.05 3igb s TYR 246 Ca 0.09 -0.94 0.11 0.00 -1.41 0.00 0.00 57.07 54.93 3igb s TYR 246 Cb 0.16 -0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 40.67 3igb s TYR 246 CO 0.67 -0.42 -0.23 0.95 -2.51 0.00 0.00 175.55 174.00 3igb s THR 247 N -3.91 2.39 0.00 -3.49 -4.23 -0.05 -4.82 115.64 101.54 3igb s THR 247 Ca 0.07 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3igb s THR 247 Cb 0.07 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3igb s THR 247 CO -0.10 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 3igb n GLY 248 N 0.28 -0.80 3.91 3.99 0.00 -1.26 -3.66 105.19 107.65 3igb n GLY 248 Ca -0.13 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 3igb n GLY 248 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3igb s SER 249 N -4.00 6.38 -0.08 1.61 0.01 -1.26 -4.98 113.70 111.38 3igb s SER 249 Ca 0.00 0.33 -0.25 0.00 1.31 0.00 0.00 55.95 57.34 3igb s SER 249 Cb 0.00 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 3igb s SER 249 CO 0.00 0.21 0.76 -0.76 0.41 0.00 0.00 173.24 173.86 3igb s LEU 250 N -2.24 4.29 -0.07 2.44 1.43 -1.26 -4.46 118.68 118.81 3igb s LEU 250 Ca 0.32 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.68 3igb s LEU 250 Cb -0.13 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 3igb s LEU 250 CO 0.23 -0.20 -0.14 0.26 0.23 0.00 0.00 176.35 176.74 3igb s TRP 251 N 1.13 2.73 -0.08 0.29 0.52 -0.01 -4.86 118.94 118.65 3igb s TRP 251 Ca 0.39 -0.30 0.01 0.00 0.02 0.00 0.00 56.10 56.23 3igb s TRP 251 Cb -0.18 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 30.43 3igb s TRP 251 CO 0.18 0.07 -0.11 0.71 0.02 0.00 0.00 176.95 177.82 3igb s TYR 252 N -0.42 2.81 -0.05 -1.98 1.51 -1.26 0.31 117.35 118.27 3igb s TYR 252 Ca 0.05 -0.25 0.06 0.00 -1.01 0.00 0.00 57.07 55.91 3igb s TYR 252 Cb -0.12 -1.73 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 3igb s TYR 252 CO 0.02 0.10 -0.21 -0.08 -1.11 0.00 0.00 175.55 174.27 3igb s THR 253 N -0.37 2.42 0.37 -0.71 -1.32 0.05 -3.43 115.64 112.64 3igb s THR 253 Ca 0.04 -0.95 -0.27 0.00 -1.21 0.00 0.00 61.69 59.30 3igb s THR 253 Cb -0.12 -1.90 -0.09 0.00 -1.51 0.00 0.00 72.50 68.88 3igb s THR 253 CO 0.02 0.58 1.24 -2.16 -2.21 0.00 0.00 174.62 172.09 3igb s PRO 254 N -0.43 4.17 -0.34 7.08 0.04 -1.26 -0.68 135.00 143.59 3igb s PRO 254 Ca 0.04 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 3igb s PRO 254 Cb -0.12 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.56 3igb s PRO 254 CO 0.01 -0.28 1.38 0.42 0.04 0.00 0.00 177.00 178.58 3igb s ILE 255 N -1.26 3.99 0.18 0.56 1.01 -0.10 -4.49 121.20 121.09 3igb s ILE 255 Ca 0.53 1.07 -0.11 0.00 0.00 0.00 0.00 60.65 62.14 3igb s ILE 255 Cb -0.36 -4.13 0.08 0.00 0.01 0.00 0.00 42.46 38.06 3igb s ILE 255 CO 0.46 -0.58 1.72 -0.09 0.00 0.00 0.00 174.94 176.45 3igb h ARG 256 N 10.07 0.93 -2.75 2.79 2.43 -1.16 -3.45 114.38 123.25 3igb h ARG 256 Ca -0.27 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 3igb h ARG 256 Cb 1.11 -0.14 -0.20 0.00 -0.42 0.00 0.00 29.97 30.31 3igb h ARG 256 CO 1.05 0.81 -0.16 0.50 -1.51 0.00 0.00 179.97 180.66 3igb s ARG 257 N -5.49 0.74 -1.16 0.20 3.52 -1.26 -5.08 118.95 110.43 3igb s ARG 257 Ca -0.13 0.00 -0.13 0.00 -0.13 0.00 0.00 55.73 55.34 3igb s ARG 257 Cb 0.13 0.34 0.19 0.00 -1.56 0.00 0.00 34.95 34.05 3igb s ARG 257 CO 0.80 -0.20 1.34 -1.21 -0.81 0.00 0.00 175.30 175.22 3igb s GLU 258 N -1.12 4.06 0.00 5.12 2.02 -1.26 -3.98 118.70 123.54 3igb s GLU 258 Ca -0.11 -2.62 0.00 0.00 0.02 0.00 0.00 54.97 52.25 3igb s GLU 258 Cb -0.04 -4.95 0.00 0.00 0.10 0.00 0.00 34.13 29.25 3igb s GLU 258 CO 0.05 -1.66 0.00 -2.67 0.02 0.00 0.00 175.26 171.00 3igb n TRP 259 N 5.17 0.00 -1.22 1.61 4.27 -1.26 -4.53 117.44 121.48 3igb n TRP 259 Ca 0.33 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.65 3igb n TRP 259 Cb 0.43 0.00 0.19 0.00 -1.36 0.00 0.00 31.31 30.57 3igb n TRP 259 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3igb s TYR 260 N 0.00 1.59 -1.09 -2.67 2.02 -1.26 -1.28 117.35 114.66 3igb s TYR 260 Ca 0.00 0.77 -0.20 0.00 -0.37 0.00 0.00 57.07 57.27 3igb s TYR 260 Cb 0.00 -3.38 0.09 0.00 -0.40 0.00 0.00 41.96 38.27 3igb s TYR 260 CO 0.00 -3.18 1.44 0.71 -1.57 0.00 0.00 175.55 172.95 3igb s TYR 261 N -3.06 2.85 -0.03 2.71 1.51 -1.26 -4.84 117.35 115.24 3igb s TYR 261 Ca 0.67 -1.32 -0.20 0.00 -1.01 0.00 0.00 57.07 55.21 3igb s TYR 261 Cb -0.15 -4.56 -0.05 0.00 -0.11 0.00 0.00 41.96 37.09 3igb s TYR 261 CO 0.56 -1.73 0.58 -2.00 -1.11 0.00 0.00 175.55 171.85 3igb s GLU 262 N 3.82 4.32 0.34 -0.62 2.12 -1.26 -1.80 118.70 125.62 3igb s GLU 262 Ca 0.44 0.69 0.03 0.00 0.36 0.00 0.00 54.97 56.49 3igb s GLU 262 Cb -0.01 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 3igb s GLU 262 CO -0.05 0.31 0.11 0.14 -0.54 0.00 0.00 175.26 175.23 3igb s VAL 263 N 0.02 0.74 -0.15 3.70 -7.23 0.12 -0.59 120.40 117.01 3igb s VAL 263 Ca 0.31 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 3igb s VAL 263 Cb -0.18 -2.57 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 3igb s VAL 263 CO 0.16 0.00 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.16 3igb s ILE 264 N -3.40 2.65 -0.14 -0.62 -1.09 -1.26 -3.95 121.20 113.39 3igb s ILE 264 Ca 0.32 -0.78 -0.13 0.00 -2.23 0.00 0.00 60.65 57.83 3igb s ILE 264 Cb 0.06 -2.11 -0.05 0.00 -1.58 0.00 0.00 42.46 38.78 3igb s ILE 264 CO 0.15 0.52 0.28 -0.63 -1.23 0.00 0.00 174.94 174.03 3igb s ILE 265 N 0.76 5.30 -0.19 2.92 1.01 -1.26 -0.88 121.20 128.86 3igb s ILE 265 Ca -0.06 0.52 0.05 0.00 0.00 0.00 0.00 60.65 61.15 3igb s ILE 265 Cb -0.15 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 3igb s ILE 265 CO 0.01 0.44 0.19 1.33 0.00 0.00 0.00 174.94 176.90 3igb n VAL 266 N 3.22 0.00 -3.60 2.92 0.24 0.41 -4.68 118.33 116.85 3igb n VAL 266 Ca -0.13 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.71 3igb n VAL 266 Cb 0.52 0.92 -0.06 0.00 -1.47 0.00 0.00 33.84 33.75 3igb n VAL 266 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3igb s ARG 267 N -1.57 0.59 -0.01 7.34 3.52 -1.19 -4.76 118.95 122.87 3igb s ARG 267 Ca 0.01 0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 56.00 3igb s ARG 267 Cb 0.04 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.72 3igb s ARG 267 CO 0.20 -0.13 0.02 0.54 -0.81 0.00 0.00 175.30 175.11 3igb s VAL 268 N -0.45 -0.02 0.06 7.11 0.11 -1.26 0.47 120.40 126.42 3igb s VAL 268 Ca -0.00 0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.18 3igb s VAL 268 Cb -0.03 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.75 3igb s VAL 268 CO -0.01 0.03 -0.15 -1.83 -3.33 0.00 0.00 175.10 169.81 3igb s GLU 269 N 0.38 0.90 -0.19 1.54 -1.05 -0.63 -1.65 118.70 118.00 3igb s GLU 269 Ca -0.03 -0.91 -0.03 0.00 -0.15 0.00 0.00 54.97 53.85 3igb s GLU 269 Cb -0.05 -0.94 -0.02 0.00 -0.44 0.00 0.00 34.13 32.69 3igb s GLU 269 CO -0.01 0.22 -0.05 0.42 0.95 0.00 0.00 175.26 176.78 3igb s ILE 270 N -1.11 3.48 -1.35 1.83 -1.09 0.14 -0.90 121.20 122.20 3igb s ILE 270 Ca 0.00 -0.48 -0.16 0.00 -2.23 0.00 0.00 60.65 57.79 3igb s ILE 270 Cb -0.09 -2.55 0.02 0.00 -1.58 0.00 0.00 42.46 38.26 3igb s ILE 270 CO 0.02 0.46 0.42 0.59 -1.23 0.00 0.00 174.94 175.20 3igb n ASN 271 N 4.22 -1.91 0.00 3.58 4.13 0.28 0.01 115.26 125.58 3igb n ASN 271 Ca -0.18 -1.22 0.00 0.00 1.68 0.00 0.00 54.58 54.87 3igb n ASN 271 Cb 0.52 -2.06 0.00 0.00 -1.54 0.00 0.00 39.78 36.69 3igb n ASN 271 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3igb n GLY 272 N -2.20 2.45 3.61 7.41 0.00 -1.26 -4.96 105.19 110.23 3igb n GLY 272 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3igb n GLY 272 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3igb s GLN 273 N 0.00 3.97 0.20 1.61 2.00 0.10 -4.98 119.66 122.57 3igb s GLN 273 Ca 0.00 0.42 -0.31 0.00 -2.00 0.00 0.00 55.36 53.47 3igb s GLN 273 Cb 0.00 -3.70 -0.10 0.00 0.80 0.00 0.00 33.01 30.01 3igb s GLN 273 CO 0.00 -0.54 1.48 0.34 -0.50 0.00 0.00 175.29 176.08 3igb s ASP 274 N 1.58 6.65 0.23 6.67 3.68 -1.26 -0.69 116.67 133.53 3igb s ASP 274 Ca 0.26 2.61 0.23 0.00 2.13 0.00 0.00 52.55 57.79 3igb s ASP 274 Cb -0.15 -2.61 0.95 0.00 -1.45 0.00 0.00 42.92 39.66 3igb s ASP 274 CO 0.11 -0.74 1.70 0.18 0.13 0.00 0.00 175.17 176.55 3igb n LEU 275 N 3.12 0.63 -3.68 -1.34 4.77 -0.66 -4.91 117.00 114.94 3igb n LEU 275 Ca 0.10 0.65 -0.28 0.00 -0.03 0.00 0.00 56.01 56.45 3igb n LEU 275 Cb 0.40 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3igb n LEU 275 CO 0.61 -0.51 0.05 0.29 -1.33 0.00 0.00 177.39 176.50 3igb n LYS 276 N -2.18 -4.79 -3.77 3.23 5.02 -1.26 -4.97 118.16 109.43 3igb n LYS 276 Ca 0.02 0.59 -0.28 0.00 -2.02 0.00 0.00 58.31 56.62 3igb n LYS 276 Cb 0.24 -5.43 -0.03 0.00 -0.02 0.00 0.00 35.03 29.79 3igb n LYS 276 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3igb s MET 277 N -6.37 3.51 0.10 1.97 -1.94 -1.26 -5.03 119.30 110.28 3igb s MET 277 Ca 0.56 -0.37 -0.33 0.00 -1.71 0.00 0.00 55.69 53.84 3igb s MET 277 Cb -0.28 -2.89 -0.13 0.00 2.01 0.00 0.00 34.83 33.54 3igb s MET 277 CO 0.69 0.46 1.69 -3.47 -0.01 0.00 0.00 175.02 174.38 3igb n ASP 278 N -0.41 3.35 0.26 3.03 -0.08 -1.26 -4.82 116.55 116.63 3igb n ASP 278 Ca -0.05 1.04 0.18 0.00 -1.51 0.00 0.00 54.79 54.45 3igb n ASP 278 Cb 0.53 -1.44 0.93 0.00 2.34 0.00 0.00 41.12 43.48 3igb n ASP 278 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3igb h LYS 280 N 0.00 0.02 0.00 0.00 1.57 -1.83 -1.88 116.57 114.45 3igb h LYS 280 Ca 0.00 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3igb h LYS 280 Cb 0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3igb h LYS 280 CO 0.00 0.01 -0.25 0.93 -0.57 0.00 0.00 179.45 179.57 3igb h GLU 281 N 0.02 0.00 0.00 3.15 4.39 -1.33 -2.57 114.58 118.24 3igb h GLU 281 Ca 0.09 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3igb h GLU 281 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3igb h GLU 281 CO -0.00 0.25 -0.21 1.88 -1.16 0.00 0.00 179.01 179.77 3igb h TYR 282 N 0.00 0.00 -0.51 4.33 0.05 -1.50 -3.23 116.97 116.11 3igb h TYR 282 Ca -0.00 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.41 3igb h TYR 282 Cb 0.50 0.00 -0.34 0.00 1.01 0.00 0.00 36.73 37.90 3igb h TYR 282 CO 0.00 0.21 -0.81 0.09 -1.05 0.00 0.00 178.16 176.60 3igb n ASN 283 N -3.41 3.55 -4.28 3.88 3.02 -0.99 -4.33 115.26 112.70 3igb n ASN 283 Ca -0.00 -3.43 -0.38 0.00 -0.03 0.00 0.00 54.58 50.74 3igb n ASN 283 Cb 0.41 -0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 39.06 3igb n ASN 283 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3igb s TYR 284 N -3.37 3.26 -2.44 3.10 5.04 -1.10 -1.09 117.35 120.74 3igb s TYR 284 Ca 0.44 -1.39 0.23 0.00 -2.44 0.00 0.00 57.07 53.91 3igb s TYR 284 Cb 0.39 -2.31 0.46 0.00 0.35 0.00 0.00 41.96 40.85 3igb s TYR 284 CO -0.01 -0.72 1.42 -0.40 -1.34 0.00 0.00 175.55 174.50 3igb n ASP 285 N 4.83 3.37 -3.62 4.32 5.75 -1.26 -3.57 116.55 126.37 3igb n ASP 285 Ca -0.12 -1.98 -0.05 0.00 -0.01 0.00 0.00 54.79 52.63 3igb n ASP 285 Cb 0.45 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 3igb n ASP 285 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3igb s LYS 286 N -1.49 0.80 -0.04 0.11 -2.85 -0.25 -3.78 119.74 112.24 3igb s LYS 286 Ca 0.39 -0.38 0.03 0.00 -1.00 0.00 0.00 55.97 55.01 3igb s LYS 286 Cb 0.23 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 36.31 3igb s LYS 286 CO 0.31 -0.36 -0.12 -1.12 0.10 0.00 0.00 175.35 174.17 3igb s SER 287 N -2.67 1.56 0.07 0.03 0.01 -1.25 -0.03 113.70 111.42 3igb s SER 287 Ca 0.10 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.11 3igb s SER 287 Cb -0.00 -0.51 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 3igb s SER 287 CO -0.04 0.07 -0.05 0.27 0.41 0.00 0.00 173.24 173.90 3igb s ILE 288 N 0.29 0.47 -0.26 1.44 -4.36 -0.57 -0.70 121.20 117.51 3igb s ILE 288 Ca -0.06 -1.71 -0.08 0.00 -0.26 0.00 0.00 60.65 58.53 3igb s ILE 288 Cb -0.11 -1.39 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 3igb s ILE 288 CO 0.02 -0.83 0.11 -0.69 0.24 0.00 0.00 174.94 173.79 3igb s VAL 289 N -3.28 4.58 -0.23 8.37 1.01 -0.74 -0.86 120.40 129.24 3igb s VAL 289 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 3igb s VAL 289 Cb 0.03 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.32 3igb s VAL 289 CO -0.06 0.29 0.11 -0.62 0.00 0.00 0.00 175.10 174.82 3igb s ASP 290 N 1.65 2.96 0.45 3.32 2.15 -0.28 -4.53 116.67 122.38 3igb s ASP 290 Ca 0.06 -0.96 0.30 0.00 0.43 0.00 0.00 52.55 52.38 3igb s ASP 290 Cb -0.16 -0.31 1.13 0.00 -0.30 0.00 0.00 42.92 43.28 3igb s ASP 290 CO 0.06 -0.39 1.87 0.77 -0.17 0.00 0.00 175.17 177.30 3igb h SER 291 N 8.41 0.00 -0.01 -0.34 4.64 -1.85 -2.14 113.55 122.26 3igb h SER 291 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3igb h SER 291 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3igb h SER 291 CO 0.37 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 3igb n GLY 292 N 0.22 -0.69 3.54 -0.77 0.00 -1.26 -4.54 105.19 101.70 3igb n GLY 292 Ca 0.02 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 3igb n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3igb s THR 293 N -1.99 3.69 -0.09 2.61 2.01 -0.80 -5.00 115.64 116.07 3igb s THR 293 Ca 0.42 -0.47 -0.21 0.00 0.31 0.00 0.00 61.69 61.75 3igb s THR 293 Cb 0.20 -2.54 -0.17 0.00 0.01 0.00 0.00 72.50 70.00 3igb s THR 293 CO 0.34 0.57 0.73 0.74 -0.69 0.00 0.00 174.62 176.30 3igb h THR 294 N 4.57 1.11 -4.25 -0.82 2.02 -1.84 0.36 112.91 114.06 3igb h THR 294 Ca -0.42 -1.56 -0.50 0.00 0.77 0.00 0.00 66.41 64.71 3igb h THR 294 Cb 1.18 1.99 0.07 0.00 -1.74 0.00 0.00 68.15 69.64 3igb h THR 294 CO 0.55 0.33 0.36 0.20 0.37 0.00 0.00 175.52 177.33 3igb s ASN 295 N -5.78 5.77 -0.30 4.18 0.01 -1.26 -1.38 114.94 116.18 3igb s ASN 295 Ca -0.13 1.14 -0.29 0.00 -0.71 0.00 0.00 52.86 52.87 3igb s ASN 295 Cb -0.01 -2.09 0.01 0.00 0.41 0.00 0.00 41.25 39.58 3igb s ASN 295 CO 0.50 -1.09 1.11 -0.22 -1.51 0.00 0.00 177.10 175.89 3igb s LEU 296 N -5.20 3.95 -0.13 0.60 2.96 -0.53 -2.45 118.68 117.87 3igb s LEU 296 Ca 0.56 1.13 -0.02 0.00 -0.22 0.00 0.00 54.13 55.57 3igb s LEU 296 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3igb s LEU 296 CO 0.51 -0.89 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.46 3igb s ARG 297 N 3.69 3.40 0.06 1.98 0.52 0.91 -1.60 118.95 127.91 3igb s ARG 297 Ca 0.47 -0.55 0.08 0.00 -0.52 0.00 0.00 55.73 55.21 3igb s ARG 297 Cb -0.13 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 3igb s ARG 297 CO 0.16 0.34 -0.21 -0.51 0.02 0.00 0.00 175.30 175.10 3igb s LEU 298 N 0.06 2.20 0.60 2.53 1.43 -0.55 0.86 118.68 125.81 3igb s LEU 298 Ca -0.01 -0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 52.33 3igb s LEU 298 Cb -0.14 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 3igb s LEU 298 CO 0.03 0.14 1.07 -2.65 0.23 0.00 0.00 176.35 175.18 3igb n PRO 299 N 1.67 1.04 -0.38 1.29 -0.02 -1.26 0.07 135.00 137.40 3igb n PRO 299 Ca -0.18 0.40 -0.08 0.00 -2.02 0.00 0.00 63.50 61.62 3igb n PRO 299 Cb 0.53 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 3igb n PRO 299 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3igb n LYS 300 N -1.15 -0.36 -0.02 -0.52 4.81 -1.17 0.06 118.16 119.81 3igb n LYS 300 Ca 0.14 1.39 0.02 0.00 -0.87 0.00 0.00 58.31 58.98 3igb n LYS 300 Cb 0.47 -2.05 0.35 0.00 0.02 0.00 0.00 35.03 33.81 3igb n LYS 300 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3igb h LYS 301 N 0.00 0.58 0.07 1.64 1.63 -1.93 -0.93 116.57 117.64 3igb h LYS 301 Ca 0.18 -0.07 -0.18 0.00 -0.85 0.00 0.00 60.65 59.73 3igb h LYS 301 Cb 0.41 -0.11 0.02 0.00 -0.60 0.00 0.00 32.23 31.95 3igb h LYS 301 CO -0.87 0.48 -0.74 0.28 -3.45 0.00 0.00 179.45 175.15 3igb h VAL 302 N 0.58 1.45 -0.31 2.00 2.07 -1.34 -2.85 116.25 117.85 3igb h VAL 302 Ca 0.14 -2.30 0.07 0.00 0.82 0.00 0.00 66.70 65.44 3igb h VAL 302 Cb 0.11 2.86 -0.07 0.00 -1.52 0.00 0.00 31.29 32.67 3igb h VAL 302 CO -0.02 0.66 -0.14 0.15 0.02 0.00 0.00 177.57 178.24 3igb h PHE 303 N -0.19 -0.35 -0.45 1.57 3.04 0.21 0.30 116.94 121.08 3igb h PHE 303 Ca -0.11 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.87 3igb h PHE 303 Cb 1.50 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 40.19 3igb h PHE 303 CO 0.17 -0.22 0.28 0.93 -2.02 0.00 0.00 178.31 177.45 3igb h GLU 304 N -0.10 0.60 -0.53 1.11 5.08 -1.27 0.20 114.58 119.68 3igb h GLU 304 Ca 0.16 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3igb h GLU 304 Cb 0.34 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3igb h GLU 304 CO -0.37 0.43 0.05 0.00 -1.00 0.00 0.00 179.01 178.11 3igb h ALA 305 N 1.14 1.09 -0.13 3.43 0.00 -1.17 -0.83 119.26 122.80 3igb h ALA 305 Ca 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3igb h ALA 305 Cb -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3igb h ALA 305 CO -0.03 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.77 3igb h ALA 306 N 1.24 0.18 -0.70 0.00 0.00 0.33 -2.54 119.26 117.77 3igb h ALA 306 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3igb h ALA 306 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3igb h ALA 306 CO 0.01 -0.07 0.39 0.28 0.00 0.00 0.00 179.25 179.86 3igb h VAL 307 N -0.06 1.21 -0.26 0.00 2.07 -0.48 -0.96 116.25 117.77 3igb h VAL 307 Ca 0.03 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.09 3igb h VAL 307 Cb 0.46 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3igb h VAL 307 CO 0.01 0.23 -0.14 0.50 0.02 0.00 0.00 177.57 178.20 3igb h LYS 308 N 0.96 -0.10 -0.36 1.57 3.64 -1.11 0.48 116.57 121.64 3igb h LYS 308 Ca 0.25 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 3igb h LYS 308 Cb 0.02 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3igb h LYS 308 CO -0.04 -0.07 -0.09 1.03 -2.27 0.00 0.00 179.45 178.01 3igb h SER 309 N -0.11 0.60 -0.07 4.20 0.87 -1.15 -1.40 113.55 116.49 3igb h SER 309 Ca 0.14 -0.16 -0.17 0.00 -1.23 0.00 0.00 61.79 60.37 3igb h SER 309 Cb 0.32 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3igb h SER 309 CO -0.33 0.73 -0.58 0.40 -0.53 0.00 0.00 176.83 176.53 3igb h ILE 310 N 0.57 1.31 -0.15 2.23 2.04 -0.34 -2.17 117.51 120.99 3igb h ILE 310 Ca 0.11 -1.81 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 3igb h ILE 310 Cb 0.50 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3igb h ILE 310 CO 0.03 0.57 0.09 0.11 0.00 0.00 0.00 178.15 178.95 3igb h LYS 311 N 0.51 0.20 -0.24 2.37 1.57 0.42 -2.46 116.57 118.94 3igb h LYS 311 Ca 0.00 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3igb h LYS 311 Cb 1.15 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 3igb h LYS 311 CO 0.12 0.16 -0.01 0.00 -0.57 0.00 0.00 179.45 179.15 3igb h ALA 312 N 1.02 0.20 -0.49 3.86 0.00 -1.21 -1.76 119.26 120.87 3igb h ALA 312 Ca 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3igb h ALA 312 Cb 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3igb h ALA 312 CO -0.01 -0.43 0.22 0.00 0.00 0.00 0.00 179.25 179.03 3igb h ALA 313 N 1.21 1.47 -0.73 0.00 0.00 -1.23 -1.78 119.26 118.20 3igb h ALA 313 Ca 0.11 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 3igb h ALA 313 Cb 0.15 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 17.60 3igb h ALA 313 CO -0.20 0.42 0.28 -1.13 0.00 0.00 0.00 179.25 178.62 3igb n SER 314 N -4.37 4.62 -0.14 0.00 3.41 -0.94 -4.68 113.62 111.51 3igb n SER 314 Ca 0.04 -3.28 -0.04 0.00 -0.26 0.00 0.00 58.87 55.33 3igb n SER 314 Cb 0.13 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.36 3igb n SER 314 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3igb h SER 315 N 2.43 -0.60 -0.03 4.04 4.64 -0.41 -3.28 113.55 120.34 3igb h SER 315 Ca 0.29 0.16 -0.30 0.00 -0.47 0.00 0.00 61.79 61.47 3igb h SER 315 Cb 2.33 0.35 0.08 0.00 -0.31 0.00 0.00 62.40 64.85 3igb h SER 315 CO 0.74 -0.21 0.75 0.35 -0.87 0.00 0.00 176.83 177.60 3igb n THR 316 N -5.38 0.00 0.00 2.95 -2.24 -1.26 -3.97 114.28 104.38 3igb n THR 316 Ca 0.04 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3igb n THR 316 Cb 0.28 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 3igb n THR 316 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3igb n GLU 317 N 7.72 0.00 -4.12 -0.78 2.13 -1.24 -5.08 120.64 119.27 3igb n GLU 317 Ca 0.41 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.88 3igb n GLU 317 Cb 0.44 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.05 3igb n GLU 317 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3igb s LYS 318 N -2.89 3.60 0.14 5.31 -2.85 -1.25 -4.95 119.74 116.84 3igb s LYS 318 Ca 0.00 -0.34 0.09 0.00 -1.00 0.00 0.00 55.97 54.72 3igb s LYS 318 Cb 0.00 -3.07 -0.04 0.00 -2.06 0.00 0.00 37.83 32.66 3igb s LYS 318 CO 0.00 0.46 -0.18 -0.06 0.10 0.00 0.00 175.35 175.67 3igb s PHE 319 N -0.18 2.50 0.45 1.78 0.40 -1.26 -5.11 117.98 116.55 3igb s PHE 319 Ca 0.07 -0.28 -0.24 0.00 -0.60 0.00 0.00 56.93 55.87 3igb s PHE 319 Cb -0.12 -1.30 -0.08 0.00 0.51 0.00 0.00 43.02 42.03 3igb s PHE 319 CO 0.01 0.42 1.31 -2.14 0.70 0.00 0.00 175.22 175.52 3igb s PRO 320 N -2.31 3.72 0.46 0.24 0.02 -1.26 -4.86 135.00 131.01 3igb s PRO 320 Ca 0.19 2.15 0.31 0.00 0.02 0.00 0.00 61.00 63.67 3igb s PRO 320 Cb -0.10 -2.58 1.59 0.00 0.02 0.00 0.00 34.50 33.43 3igb s PRO 320 CO 0.10 -0.69 1.95 0.38 -0.33 0.00 0.00 177.00 178.41 3igb h ASP 321 N 2.27 0.00 0.33 2.53 2.03 -2.00 0.19 116.42 121.77 3igb h ASP 321 Ca -0.50 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.77 3igb h ASP 321 Cb 1.26 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3igb h ASP 321 CO 0.61 0.00 -0.12 1.23 -1.03 0.00 0.00 179.24 179.92 3igb h GLY 322 N 0.62 0.00 0.63 7.15 0.00 -1.96 -1.87 103.07 107.64 3igb h GLY 322 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3igb h GLY 322 CO 0.00 0.00 -0.50 -2.75 0.00 0.00 0.00 176.54 173.29 3igb h PHE 323 N 0.00 0.46 0.00 5.60 3.57 -0.82 -0.18 116.94 125.57 3igb h PHE 323 Ca -0.00 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 3igb h PHE 323 Cb 0.32 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 3igb h PHE 323 CO 0.00 1.10 -0.10 -1.49 -2.23 0.00 0.00 178.31 175.59 3igb h TRP 324 N -0.31 0.00 -0.01 0.41 4.06 -1.50 -0.10 115.95 118.50 3igb h TRP 324 Ca -0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.88 3igb h TRP 324 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 3igb h TRP 324 CO 0.17 0.10 -0.04 1.28 -3.56 0.00 0.00 178.44 176.39 3igb n LEU 325 N -3.67 0.68 -0.44 -4.49 4.77 -0.73 -4.90 117.00 108.22 3igb n LEU 325 Ca -0.02 -0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 55.73 3igb n LEU 325 Cb 0.21 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3igb n LEU 325 CO 0.30 0.12 -0.05 0.61 -1.33 0.00 0.00 177.39 177.03 3igb n GLY 326 N 1.15 0.81 0.13 -0.72 0.00 -0.05 -4.90 105.19 101.60 3igb n GLY 326 Ca 0.19 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 3igb n GLY 326 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3igb n GLU 327 N -2.53 0.65 -3.96 1.61 1.02 -0.50 -4.82 120.64 112.12 3igb n GLU 327 Ca -0.06 0.37 -0.22 0.00 -0.02 0.00 0.00 57.16 57.24 3igb n GLU 327 Cb 0.23 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 29.95 3igb n GLU 327 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3igb s GLN 328 N -2.47 3.44 0.06 3.49 0.74 -0.20 -4.99 119.66 119.73 3igb s GLN 328 Ca -0.28 -0.73 0.03 0.00 0.05 0.00 0.00 55.36 54.43 3igb s GLN 328 Cb 0.08 -2.90 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 3igb s GLN 328 CO 0.65 0.44 0.02 -0.48 -0.55 0.00 0.00 175.29 175.38 3igb s LEU 329 N -3.87 3.58 0.03 3.68 0.05 -1.26 -4.40 118.68 116.49 3igb s LEU 329 Ca 0.34 -0.08 0.06 0.00 0.05 0.00 0.00 54.13 54.51 3igb s LEU 329 Cb -0.09 -2.24 -0.03 0.00 -2.05 0.00 0.00 46.19 41.78 3igb s LEU 329 CO 0.29 0.20 -0.16 0.54 -0.55 0.00 0.00 176.35 176.67 3igb s VAL 330 N -1.27 2.93 -0.00 1.48 0.11 -0.54 -4.91 120.40 118.19 3igb s VAL 330 Ca 0.25 -1.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 3igb s VAL 330 Cb -0.12 -2.24 -0.01 0.00 -1.53 0.00 0.00 36.38 32.49 3igb s VAL 330 CO 0.17 0.35 -0.06 0.00 -3.33 0.00 0.00 175.10 172.23 3igb n TRP 332 N 2.90 0.00 -3.78 0.00 8.01 0.00 -4.96 117.44 119.62 3igb n TRP 332 Ca -0.13 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.91 3igb n TRP 332 Cb 0.58 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.72 3igb n TRP 332 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 3igb s GLN 333 N 0.65 -0.03 -0.60 -0.99 -0.21 -1.26 -4.46 119.66 112.76 3igb s GLN 333 Ca 0.00 0.17 -0.21 0.00 0.02 0.00 0.00 55.36 55.34 3igb s GLN 333 Cb 0.00 -0.23 0.03 0.00 1.00 0.00 0.00 33.01 33.81 3igb s GLN 333 CO 0.00 -0.15 0.64 0.00 -2.12 0.00 0.00 175.29 173.66 3igb n ALA 334 N 4.08 -2.55 -2.00 6.09 0.00 -1.26 -2.85 120.51 122.02 3igb n ALA 334 Ca -0.26 0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 3igb n ALA 334 Cb 0.51 -1.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 3igb n ALA 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3igb n GLY 335 N -0.81 0.36 0.10 0.00 0.00 -1.26 -4.86 105.19 98.72 3igb n GLY 335 Ca -0.15 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.70 3igb n GLY 335 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3igb n THR 336 N -3.52 0.00 -1.66 2.61 -2.24 -1.13 -4.99 114.28 103.35 3igb n THR 336 Ca -0.17 -0.05 -0.57 0.00 -2.27 0.00 0.00 64.05 60.99 3igb n THR 336 Cb 0.59 0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 3igb n THR 336 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3igb n THR 337 N -1.20 0.14 -1.86 4.28 -1.04 -1.26 -4.83 114.28 108.52 3igb n THR 337 Ca 0.05 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.63 3igb n THR 337 Cb 0.36 -0.88 -0.01 0.00 -1.82 0.00 0.00 70.33 67.97 3igb n THR 337 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3igb n PRO 338 N 3.91 3.84 -0.33 -2.82 -0.04 -1.26 -4.77 135.00 133.53 3igb n PRO 338 Ca 0.24 -3.01 0.19 0.00 -0.04 0.00 0.00 63.50 60.88 3igb n PRO 338 Cb 0.12 -2.86 0.40 0.00 -0.04 0.00 0.00 33.50 31.13 3igb n PRO 338 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3igb h TRP 339 N 5.22 0.80 0.00 0.54 4.06 -1.95 -0.89 115.95 123.73 3igb h TRP 339 Ca 0.65 0.04 -0.00 0.00 2.06 0.00 0.00 58.89 61.64 3igb h TRP 339 Cb 0.43 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.40 3igb h TRP 339 CO 1.57 -0.12 -0.00 -0.91 -3.56 0.00 0.00 178.44 175.41 3igb h ASN 340 N 0.36 0.00 0.97 -3.49 2.35 -2.01 -1.02 115.58 112.74 3igb h ASN 340 Ca 0.66 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.31 3igb h ASN 340 Cb 1.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 3igb h ASN 340 CO -0.58 0.00 -0.49 0.40 -1.65 0.00 0.00 177.43 175.11 3igb h ILE 341 N 0.00 1.02 -3.00 2.81 2.04 -1.50 -3.44 117.51 115.44 3igb h ILE 341 Ca -0.00 -1.92 -0.61 0.00 1.00 0.00 0.00 64.86 63.33 3igb h ILE 341 Cb 0.05 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 3igb h ILE 341 CO 0.00 0.48 -0.21 -0.36 0.00 0.00 0.00 178.15 178.05 3igb s PHE 342 N -3.39 3.72 0.66 1.37 0.08 -0.39 -3.11 117.98 116.93 3igb s PHE 342 Ca 0.01 0.97 -0.11 0.00 0.12 0.00 0.00 56.93 57.92 3igb s PHE 342 Cb 0.10 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 3igb s PHE 342 CO 0.72 0.64 1.05 -1.25 -0.10 0.00 0.00 175.22 176.28 3igb s PRO 343 N -1.04 3.22 0.39 0.24 0.04 -1.26 -4.76 135.00 131.83 3igb s PRO 343 Ca 0.23 0.80 -0.10 0.00 0.04 0.00 0.00 61.00 61.98 3igb s PRO 343 Cb -0.16 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 3igb s PRO 343 CO 0.13 -0.85 0.74 0.14 0.04 0.00 0.00 177.00 177.20 3igb s VAL 344 N -3.14 4.81 -0.17 -0.36 -7.23 -1.26 -4.35 120.40 108.70 3igb s VAL 344 Ca 0.57 0.55 0.01 0.00 -1.81 0.00 0.00 61.98 61.30 3igb s VAL 344 Cb -0.12 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.10 3igb s VAL 344 CO 0.54 -0.49 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.01 3igb s ILE 345 N -2.33 2.02 -0.25 -0.62 1.01 -0.59 -0.56 121.20 119.88 3igb s ILE 345 Ca 0.50 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 3igb s ILE 345 Cb -0.10 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 3igb s ILE 345 CO 0.31 0.54 0.08 -0.44 0.00 0.00 0.00 174.94 175.43 3igb s SER 346 N 1.18 5.22 -0.26 3.58 0.01 -0.08 -0.54 113.70 122.81 3igb s SER 346 Ca 0.02 -0.18 -0.11 0.00 1.31 0.00 0.00 55.95 56.99 3igb s SER 346 Cb -0.14 -1.94 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 3igb s SER 346 CO -0.10 -0.03 0.19 -0.76 0.41 0.00 0.00 173.24 172.95 3igb s LEU 347 N 1.57 4.06 -0.18 2.44 1.43 0.51 -1.61 118.68 126.90 3igb s LEU 347 Ca 0.06 0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.05 3igb s LEU 347 Cb -0.15 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3igb s LEU 347 CO 0.04 -0.01 0.47 -0.31 0.23 0.00 0.00 176.35 176.77 3igb s TYR 348 N 1.47 3.40 -0.03 0.29 1.51 0.18 -0.69 117.35 123.48 3igb s TYR 348 Ca 0.08 0.74 -0.00 0.00 -1.01 0.00 0.00 57.07 56.87 3igb s TYR 348 Cb -0.15 -2.59 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 3igb s TYR 348 CO 0.08 -0.02 0.02 -0.51 -1.11 0.00 0.00 175.55 174.02 3igb s LEU 349 N 1.32 3.65 0.20 -1.29 1.43 0.21 -0.44 118.68 123.75 3igb s LEU 349 Ca 0.22 0.09 -0.32 0.00 -1.03 0.00 0.00 54.13 53.09 3igb s LEU 349 Cb -0.15 -2.02 -0.15 0.00 0.03 0.00 0.00 46.19 43.90 3igb s LEU 349 CO 0.09 0.31 1.30 0.80 0.23 0.00 0.00 176.35 179.08 3igb n MET 350 N 1.57 1.63 -2.32 1.70 0.00 -0.06 -1.68 117.12 117.96 3igb n MET 350 Ca -0.15 0.58 -0.26 0.00 -0.00 0.00 0.00 57.70 57.86 3igb n MET 350 Cb 0.53 -2.17 0.15 0.00 0.00 0.00 0.00 33.22 31.72 3igb n MET 350 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3igb s GLY 351 N 0.19 1.77 0.46 -5.12 0.00 0.16 -4.04 107.32 100.75 3igb s GLY 351 Ca 0.71 -1.55 0.30 0.00 0.00 0.00 0.00 44.72 44.18 3igb s GLY 351 CO 0.50 -0.88 1.86 0.83 0.00 0.00 0.00 173.10 175.42 3igb h GLU 352 N -1.02 0.00 -5.14 2.90 5.08 -1.77 -3.42 114.58 111.21 3igb h GLU 352 Ca -0.39 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.32 3igb h GLU 352 Cb 1.25 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.27 3igb h GLU 352 CO 0.38 0.00 -0.67 0.08 -1.00 0.00 0.00 179.01 177.80 3igb s VAL 353 N -3.49 3.88 0.00 3.13 1.01 -1.26 -5.04 120.40 118.63 3igb s VAL 353 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3igb s VAL 353 Cb 0.09 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3igb s VAL 353 CO 0.54 0.44 0.00 0.41 0.00 0.00 0.00 175.10 176.49 3igb n THR 354 N 4.17 0.00 -0.46 3.92 -1.04 -1.26 0.04 114.28 119.65 3igb n THR 354 Ca -0.17 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.68 3igb n THR 354 Cb 0.52 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.11 3igb n THR 354 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3igb n ASN 355 N 0.00 4.35 -4.34 8.00 0.23 -1.26 -4.64 115.26 117.60 3igb n ASN 355 Ca 0.00 -2.99 -0.32 0.00 -0.53 0.00 0.00 54.58 50.74 3igb n ASN 355 Cb 0.00 -0.79 -0.15 0.00 -2.08 0.00 0.00 39.78 36.76 3igb n ASN 355 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 3igb s GLN 356 N -1.94 2.93 0.38 -3.83 0.74 0.11 -0.96 119.66 117.08 3igb s GLN 356 Ca 0.33 -0.77 0.05 0.00 0.05 0.00 0.00 55.36 55.02 3igb s GLN 356 Cb 0.27 -2.41 -0.03 0.00 1.10 0.00 0.00 33.01 31.95 3igb s GLN 356 CO 0.04 0.34 0.20 -1.54 -0.55 0.00 0.00 175.29 173.78 3igb s SER 357 N -0.01 2.29 0.11 6.67 1.04 0.27 0.40 113.70 124.48 3igb s SER 357 Ca -0.06 -1.73 -0.10 0.00 0.48 0.00 0.00 55.95 54.54 3igb s SER 357 Cb -0.15 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3igb s SER 357 CO 0.05 -1.01 0.25 0.72 0.98 0.00 0.00 173.24 174.23 3igb s PHE 358 N -3.32 0.13 0.10 5.02 -0.12 -0.68 -0.81 117.98 118.31 3igb s PHE 358 Ca 0.31 -0.53 0.10 0.00 -0.05 0.00 0.00 56.93 56.77 3igb s PHE 358 Cb 0.02 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 3igb s PHE 358 CO 0.21 -0.61 -0.27 -0.98 -0.05 0.00 0.00 175.22 173.52 3igb s ARG 359 N -3.87 1.53 -0.10 1.99 1.70 0.26 0.63 118.95 121.08 3igb s ARG 359 Ca 0.07 -1.26 0.02 0.00 -0.47 0.00 0.00 55.73 54.09 3igb s ARG 359 Cb 0.04 -1.91 -0.01 0.00 -0.57 0.00 0.00 34.95 32.49 3igb s ARG 359 CO -0.09 0.47 -0.17 0.96 -1.08 0.00 0.00 175.30 175.39 3igb s ILE 360 N -0.97 2.76 -0.17 4.99 -4.36 0.14 -1.09 121.20 122.50 3igb s ILE 360 Ca 0.13 -0.78 -0.00 0.00 -0.26 0.00 0.00 60.65 59.74 3igb s ILE 360 Cb -0.10 -2.12 -0.00 0.00 1.25 0.00 0.00 42.46 41.49 3igb s ILE 360 CO 0.05 0.55 -0.14 -0.89 0.24 0.00 0.00 174.94 174.74 3igb s THR 361 N 0.13 2.71 0.09 8.37 2.01 0.49 -0.36 115.64 129.08 3igb s THR 361 Ca -0.08 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.24 3igb s THR 361 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 3igb s THR 361 CO 0.05 0.51 -0.08 0.27 -0.69 0.00 0.00 174.62 174.67 3igb s ILE 362 N 0.95 3.47 0.48 1.82 -4.36 0.30 -1.83 121.20 122.03 3igb s ILE 362 Ca -0.03 -1.19 0.02 0.00 -0.26 0.00 0.00 60.65 59.19 3igb s ILE 362 Cb -0.15 -2.62 0.01 0.00 1.25 0.00 0.00 42.46 40.95 3igb s ILE 362 CO -0.02 0.13 0.69 -0.76 0.24 0.00 0.00 174.94 175.22 3igb s LEU 363 N -2.16 3.54 0.51 0.37 1.43 -1.26 -1.55 118.68 119.56 3igb s LEU 363 Ca 0.22 0.09 0.20 0.00 -1.03 0.00 0.00 54.13 53.61 3igb s LEU 363 Cb -0.11 -2.99 1.33 0.00 0.03 0.00 0.00 46.19 44.45 3igb s LEU 363 CO 0.14 -0.85 2.11 -0.65 0.23 0.00 0.00 176.35 177.34 3igb h PRO 364 N 0.33 0.00 -0.06 1.29 0.11 -1.86 -0.98 132.00 130.84 3igb h PRO 364 Ca -0.44 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 3igb h PRO 364 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3igb h PRO 364 CO 0.54 0.07 0.15 1.96 -0.21 0.00 0.00 178.00 180.52 3igb h GLN 365 N 0.00 0.00 0.07 1.05 7.50 -1.90 0.14 115.11 121.98 3igb h GLN 365 Ca -0.00 0.00 -0.37 0.00 0.50 0.00 0.00 58.65 58.78 3igb h GLN 365 Cb 0.14 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.63 3igb h GLN 365 CO 0.01 0.00 -2.15 1.04 -1.50 0.00 0.00 178.83 176.23 3igb n GLN 366 N -3.29 0.72 -0.05 1.46 6.02 -0.39 -4.44 117.38 117.40 3igb n GLN 366 Ca -0.01 0.22 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 3igb n GLN 366 Cb 0.23 -1.65 0.27 0.00 1.02 0.00 0.00 30.24 30.12 3igb n GLN 366 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 3igb n TYR 367 N -3.36 0.14 -3.83 1.08 0.18 -0.85 -4.47 117.16 106.05 3igb n TYR 367 Ca -0.36 -0.07 -0.36 0.00 1.88 0.00 0.00 57.90 58.99 3igb n TYR 367 Cb 1.03 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.87 3igb n TYR 367 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3igb s LEU 368 N -1.82 4.74 -0.09 -3.48 1.43 0.43 -0.08 118.68 119.82 3igb s LEU 368 Ca 0.34 -1.74 -0.12 0.00 -1.03 0.00 0.00 54.13 51.57 3igb s LEU 368 Cb 0.20 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 3igb s LEU 368 CO 0.31 -0.43 0.30 0.00 0.23 0.00 0.00 176.35 176.75 3igb s ARG 369 N 1.18 3.92 0.31 1.70 1.70 -0.41 -4.74 118.95 122.62 3igb s ARG 369 Ca 0.03 0.16 -0.29 0.00 -0.47 0.00 0.00 55.73 55.16 3igb s ARG 369 Cb -0.21 -3.29 -0.11 0.00 -0.57 0.00 0.00 34.95 30.77 3igb s ARG 369 CO -0.03 0.54 1.45 -1.25 -1.08 0.00 0.00 175.30 174.93 3igb s PRO 370 N -0.49 4.22 0.00 3.89 0.04 -1.26 -1.19 135.00 140.20 3igb s PRO 370 Ca 0.19 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.64 3igb s PRO 370 Cb -0.14 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.36 3igb s PRO 370 CO 0.07 -0.43 0.00 0.28 0.04 0.00 0.00 177.00 176.96 3igb n VAL 371 N 1.37 0.00 0.00 -0.36 0.31 -1.26 -4.83 118.33 113.57 3igb n VAL 371 Ca 0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3igb n VAL 371 Cb 0.40 0.73 0.00 0.00 -0.91 0.00 0.00 33.84 34.05 3igb n VAL 371 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3igb n ASP 380 N -0.48 0.00 -4.38 4.52 8.00 -1.26 -4.82 116.55 118.13 3igb n ASP 380 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 3igb n ASP 380 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 3igb n ASP 380 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3igb s TYR 382 N -0.81 1.08 0.02 0.00 2.02 0.05 -4.51 117.35 115.22 3igb s TYR 382 Ca 0.12 -0.81 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 3igb s TYR 382 Cb -0.10 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 3igb s TYR 382 CO 0.02 -0.02 0.02 0.15 -1.57 0.00 0.00 175.55 174.15 3igb s LYS 383 N -3.64 2.79 -0.22 -0.62 1.02 -0.34 -1.46 119.74 117.28 3igb s LYS 383 Ca 0.13 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.19 3igb s LYS 383 Cb 0.03 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 3igb s LYS 383 CO -0.02 0.61 1.74 0.12 -0.92 0.00 0.00 175.35 176.88 3igb s PHE 384 N -1.17 1.88 -0.41 3.18 5.36 -1.26 -1.29 117.98 124.27 3igb s PHE 384 Ca 0.22 0.47 0.03 0.00 -0.96 0.00 0.00 56.93 56.69 3igb s PHE 384 Cb -0.12 -4.03 0.57 0.00 -0.34 0.00 0.00 43.02 39.10 3igb s PHE 384 CO 0.13 -3.29 1.83 0.00 -1.46 0.00 0.00 175.22 172.43 3igb n ALA 385 N 9.03 5.30 -3.38 11.12 0.00 0.89 -4.50 120.51 138.97 3igb n ALA 385 Ca 0.21 -2.58 -0.33 0.00 0.00 0.00 0.00 53.44 50.74 3igb n ALA 385 Cb 0.45 -1.42 -0.16 0.00 0.00 0.00 0.00 19.45 18.32 3igb n ALA 385 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3igb s ILE 386 N -3.01 2.50 0.16 0.00 1.01 -1.26 -1.46 121.20 119.15 3igb s ILE 386 Ca 0.51 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 3igb s ILE 386 Cb 0.42 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3igb s ILE 386 CO 0.09 0.53 0.17 -0.94 0.00 0.00 0.00 174.94 174.79 3igb s SER 387 N 0.64 0.17 0.32 3.58 1.04 -0.62 -4.76 113.70 114.06 3igb s SER 387 Ca -0.09 -1.13 -0.19 0.00 0.48 0.00 0.00 55.95 55.02 3igb s SER 387 Cb -0.16 0.38 -0.09 0.00 0.10 0.00 0.00 66.02 66.24 3igb s SER 387 CO 0.02 -0.83 0.80 -1.58 0.98 0.00 0.00 173.24 172.63 3igb s GLN 388 N -4.05 4.18 0.03 4.02 0.74 -1.26 -1.49 119.66 121.84 3igb s GLN 388 Ca 0.25 0.89 0.03 0.00 0.05 0.00 0.00 55.36 56.58 3igb s GLN 388 Cb 0.06 -2.54 -0.02 0.00 1.10 0.00 0.00 33.01 31.61 3igb s GLN 388 CO 0.04 0.19 -0.10 0.45 -0.55 0.00 0.00 175.29 175.33 3igb s SER 389 N -2.02 1.13 0.00 6.67 0.15 0.11 -4.74 113.70 115.01 3igb s SER 389 Ca 0.52 -0.41 0.08 0.00 0.70 0.00 0.00 55.95 56.84 3igb s SER 389 Cb -0.13 -0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.20 3igb s SER 389 CO 0.18 -0.04 0.75 -1.20 1.20 0.00 0.00 173.24 174.13 3igb n SER 390 N 1.99 1.65 -0.80 5.45 7.64 -1.26 -3.02 113.62 125.27 3igb n SER 390 Ca -0.18 -1.33 0.06 0.00 1.01 0.00 0.00 58.87 58.42 3igb n SER 390 Cb 0.55 -0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.91 3igb n SER 390 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3igb n THR 391 N 0.43 1.57 -0.10 0.44 -2.24 -1.26 -4.85 114.28 108.27 3igb n THR 391 Ca 0.05 -2.54 0.00 0.00 -2.27 0.00 0.00 64.05 59.29 3igb n THR 391 Cb 0.19 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3igb n THR 391 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3igb n GLY 392 N -0.69 -3.56 3.72 3.38 0.00 -1.23 -4.57 105.19 102.24 3igb n GLY 392 Ca 0.15 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3igb n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3igb s THR 393 N -0.74 4.15 -0.23 2.61 2.01 0.96 -4.28 115.64 120.13 3igb s THR 393 Ca 0.00 1.67 0.02 0.00 0.31 0.00 0.00 61.69 63.68 3igb s THR 393 Cb 0.00 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.48 3igb s THR 393 CO 0.00 0.20 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.30 3igb s VAL 394 N 0.49 2.22 -0.87 3.82 1.01 0.25 -1.51 120.40 125.82 3igb s VAL 394 Ca 0.53 -1.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 3igb s VAL 394 Cb -0.27 -2.15 0.12 0.00 0.00 0.00 0.00 36.38 34.08 3igb s VAL 394 CO 0.31 0.21 1.08 -0.04 0.00 0.00 0.00 175.10 176.66 3igb s MET 395 N 1.20 3.50 0.00 2.72 -1.94 -0.04 -0.06 119.30 124.68 3igb s MET 395 Ca -0.03 -1.62 0.00 0.00 -1.71 0.00 0.00 55.69 52.33 3igb s MET 395 Cb -0.17 -4.78 0.00 0.00 2.01 0.00 0.00 34.83 31.89 3igb s MET 395 CO -0.08 -1.76 0.00 0.41 -0.01 0.00 0.00 175.02 173.58 3igb n GLY 396 N 5.44 0.98 0.29 -0.03 0.00 -1.03 -1.12 105.19 109.71 3igb n GLY 396 Ca 0.18 -1.92 0.05 0.00 0.00 0.00 0.00 46.02 44.34 3igb n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igb h ALA 397 N -1.14 0.74 0.00 4.61 0.00 0.21 -0.97 119.26 122.70 3igb h ALA 397 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3igb h ALA 397 Cb 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3igb h ALA 397 CO 0.00 -0.43 -0.00 -0.39 0.00 0.00 0.00 179.25 178.43 3igb h VAL 398 N 0.06 0.00 0.16 0.00 -1.51 -1.49 1.04 116.25 114.51 3igb h VAL 398 Ca 0.42 -0.45 -0.26 0.00 -1.23 0.00 0.00 66.70 65.17 3igb h VAL 398 Cb 0.72 1.45 0.02 0.00 -2.13 0.00 0.00 31.29 31.35 3igb h VAL 398 CO -0.72 0.00 -1.25 0.40 -1.23 0.00 0.00 177.57 174.77 3igb h ILE 399 N 0.00 1.24 -0.08 7.19 1.08 -1.49 -3.36 117.51 122.09 3igb h ILE 399 Ca -0.00 -2.52 -0.11 0.00 -0.39 0.00 0.00 64.86 61.84 3igb h ILE 399 Cb 0.45 2.96 -0.01 0.00 -3.07 0.00 0.00 36.82 37.15 3igb h ILE 399 CO 0.00 0.75 -0.46 0.24 -0.69 0.00 0.00 178.15 177.98 3igb h MET 400 N -0.20 0.20 -0.08 2.37 2.86 0.05 -3.13 114.93 117.01 3igb h MET 400 Ca -0.24 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.32 3igb h MET 400 Cb 1.83 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.49 3igb h MET 400 CO 0.15 0.63 0.11 0.93 1.06 0.00 0.00 176.91 179.79 3igb h GLU 401 N 0.17 0.00 0.00 1.72 5.08 0.89 0.27 114.58 122.71 3igb h GLU 401 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3igb h GLU 401 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3igb h GLU 401 CO 0.07 0.00 -0.19 0.78 -1.00 0.00 0.00 179.01 178.67 3igb h GLY 402 N 0.00 0.00 -2.75 -3.84 0.00 -1.73 -3.41 103.07 91.34 3igb h GLY 402 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.11 3igb h GLY 402 CO -0.00 0.00 -0.66 -1.36 0.00 0.00 0.00 176.54 174.52 3igb s PHE 403 N -3.83 1.10 -0.20 5.60 0.40 0.94 -2.62 117.98 119.38 3igb s PHE 403 Ca -0.01 -1.10 -0.18 0.00 -0.60 0.00 0.00 56.93 55.04 3igb s PHE 403 Cb 0.11 -0.63 -0.03 0.00 0.51 0.00 0.00 43.02 42.98 3igb s PHE 403 CO 0.62 -0.32 0.52 -0.47 0.70 0.00 0.00 175.22 176.26 3igb s TYR 404 N -3.80 3.38 -0.16 0.36 5.04 0.19 -4.33 117.35 118.03 3igb s TYR 404 Ca 0.24 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 3igb s TYR 404 Cb 0.07 -2.67 0.00 0.00 0.35 0.00 0.00 41.96 39.71 3igb s TYR 404 CO 0.03 -0.09 -0.15 0.08 -1.34 0.00 0.00 175.55 174.08 3igb s VAL 405 N 1.61 2.59 -0.24 3.14 1.01 -0.64 -1.35 120.40 126.53 3igb s VAL 405 Ca 0.24 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 3igb s VAL 405 Cb -0.15 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3igb s VAL 405 CO 0.10 0.51 0.04 -0.69 0.00 0.00 0.00 175.10 175.06 3igb s VAL 406 N 0.95 4.08 -1.14 2.92 1.01 0.06 -0.73 120.40 127.55 3igb s VAL 406 Ca -0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 3igb s VAL 406 Cb -0.15 -2.89 0.26 0.00 0.00 0.00 0.00 36.38 33.60 3igb s VAL 406 CO -0.03 0.37 1.21 0.49 0.00 0.00 0.00 175.10 177.14 3igb n PHE 407 N 4.83 5.03 -2.12 5.22 3.01 0.12 -1.03 117.46 132.52 3igb n PHE 407 Ca -0.17 -3.72 -0.42 0.00 1.01 0.00 0.00 57.45 54.15 3igb n PHE 407 Cb 0.51 -1.78 0.00 0.00 -0.01 0.00 0.00 39.48 38.21 3igb n PHE 407 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3igb n ASP 408 N 3.17 4.39 -0.13 4.37 -0.08 0.13 -2.91 116.55 125.48 3igb n ASP 408 Ca 0.27 -2.90 0.05 0.00 -1.51 0.00 0.00 54.79 50.70 3igb n ASP 408 Cb 0.39 -1.67 0.36 0.00 2.34 0.00 0.00 41.12 42.55 3igb n ASP 408 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3igb h ARG 409 N 6.53 0.71 -0.12 -0.67 3.08 -1.74 -1.21 114.38 120.96 3igb h ARG 409 Ca 0.50 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.48 3igb h ARG 409 Cb 0.72 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3igb h ARG 409 CO 1.70 0.47 -0.07 0.00 -1.07 0.00 0.00 179.97 181.00 3igb h ALA 410 N 1.63 1.68 -0.22 0.04 0.00 -1.39 -2.57 119.26 118.43 3igb h ALA 410 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3igb h ALA 410 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3igb h ALA 410 CO -0.07 0.24 0.00 0.54 0.00 0.00 0.00 179.25 179.96 3igb n ARG 411 N -4.36 2.66 -3.94 0.00 1.74 -0.68 -4.99 116.66 107.09 3igb n ARG 411 Ca -0.01 -2.62 -0.30 0.00 -0.77 0.00 0.00 57.85 54.15 3igb n ARG 411 Cb 0.20 -1.66 -0.01 0.00 -1.02 0.00 0.00 32.46 29.97 3igb n ARG 411 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3igb n LYS 412 N -0.49 -2.24 -3.85 5.56 5.02 -0.55 -4.90 118.16 116.71 3igb n LYS 412 Ca 0.18 0.35 -0.10 0.00 -2.02 0.00 0.00 58.31 56.73 3igb n LYS 412 Cb 0.75 -4.12 -0.05 0.00 -0.02 0.00 0.00 35.03 31.58 3igb n LYS 412 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3igb s ARG 413 N -6.59 1.26 -0.11 1.97 1.70 -0.82 -0.92 118.95 115.44 3igb s ARG 413 Ca 0.17 -1.01 -0.01 0.00 -0.47 0.00 0.00 55.73 54.41 3igb s ARG 413 Cb -0.07 0.45 0.03 0.00 -0.57 0.00 0.00 34.95 34.78 3igb s ARG 413 CO 0.90 -0.50 -0.07 0.42 -1.08 0.00 0.00 175.30 174.98 3igb s ILE 414 N -3.92 0.95 0.12 4.99 1.01 0.15 -0.69 121.20 123.80 3igb s ILE 414 Ca 0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 3igb s ILE 414 Cb 0.01 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 3igb s ILE 414 CO -0.02 0.35 0.35 -0.83 0.00 0.00 0.00 174.94 174.79 3igb s GLY 415 N 1.74 2.23 -0.06 6.18 0.00 -0.20 -0.77 107.32 116.45 3igb s GLY 415 Ca 0.05 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.21 3igb s GLY 415 CO -0.08 -0.51 -0.15 -1.36 0.00 0.00 0.00 173.10 171.00 3igb s PHE 416 N -1.61 1.66 0.05 1.90 0.08 0.15 -0.76 117.98 119.45 3igb s PHE 416 Ca 0.39 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.89 3igb s PHE 416 Cb -0.12 -1.16 -0.03 0.00 -0.57 0.00 0.00 43.02 41.14 3igb s PHE 416 CO 0.24 -0.24 -0.05 0.00 -0.10 0.00 0.00 175.22 175.08 3igb s ALA 417 N 0.33 0.47 0.17 5.36 0.00 -0.46 -0.83 121.76 126.81 3igb s ALA 417 Ca -0.10 -0.89 -0.33 0.00 0.00 0.00 0.00 51.96 50.64 3igb s ALA 417 Cb -0.14 0.14 -0.13 0.00 0.00 0.00 0.00 23.12 23.00 3igb s ALA 417 CO 0.03 -0.17 1.64 0.28 0.00 0.00 0.00 175.76 177.54 3igb n VAL 418 N 0.98 0.03 -2.73 0.00 0.31 -1.24 0.55 118.33 116.24 3igb n VAL 418 Ca -0.20 -0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.78 3igb n VAL 418 Cb 0.57 -1.71 -0.06 0.00 -0.91 0.00 0.00 33.84 31.73 3igb n VAL 418 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3igb s SER 419 N 1.13 6.91 0.47 4.52 0.15 -1.08 -0.87 113.70 124.93 3igb s SER 419 Ca 0.78 1.81 0.32 0.00 0.70 0.00 0.00 55.95 59.56 3igb s SER 419 Cb -0.62 -2.56 1.45 0.00 -1.71 0.00 0.00 66.02 62.59 3igb s SER 419 CO 0.36 -0.38 1.95 0.00 1.20 0.00 0.00 173.24 176.38 3igb h ALA 420 N 2.23 1.00 -0.17 5.45 0.00 -0.75 -3.20 119.26 123.83 3igb h ALA 420 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3igb h ALA 420 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3igb h ALA 420 CO 0.62 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3igb s HIS 422 N -0.90 2.59 -0.03 0.00 -0.00 -1.21 -4.94 115.29 110.80 3igb s HIS 422 Ca 0.16 1.42 -0.23 0.00 -0.00 0.00 0.00 55.06 56.41 3igb s HIS 422 Cb 0.09 -3.67 -0.05 0.00 -0.00 0.00 0.00 32.58 28.96 3igb s HIS 422 CO 0.13 -2.33 0.67 0.08 -0.00 0.00 0.00 174.74 173.29 3igb s VAL 423 N -1.35 4.95 -0.10 -5.38 1.01 -1.26 -5.05 120.40 113.23 3igb s VAL 423 Ca 0.65 1.39 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 3igb s VAL 423 Cb -0.37 -4.01 0.08 0.00 0.00 0.00 0.00 36.38 32.08 3igb s VAL 423 CO 0.45 0.33 0.75 -1.38 0.00 0.00 0.00 175.10 175.25 3igb s HIS 424 N 0.33 -0.62 0.00 5.22 -0.00 -1.26 -4.72 115.29 114.24 3igb s HIS 424 Ca 0.35 1.13 0.00 0.00 -0.00 0.00 0.00 55.06 56.54 3igb s HIS 424 Cb -0.18 0.40 0.00 0.00 -0.00 0.00 0.00 32.58 32.80 3igb s HIS 424 CO 0.18 -0.53 0.00 -0.40 -0.00 0.00 0.00 174.74 173.99 3igb n ASP 425 N 1.11 0.00 -1.89 7.38 3.85 -1.21 -4.99 116.55 120.80 3igb n ASP 425 Ca -0.17 -0.44 -0.01 0.00 -0.71 0.00 0.00 54.79 53.46 3igb n ASP 425 Cb 0.57 0.00 0.32 0.00 -1.35 0.00 0.00 41.12 40.66 3igb n ASP 425 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3igb n GLU 426 N -0.44 3.94 0.00 0.11 -0.58 -1.26 -4.15 120.64 118.26 3igb n GLU 426 Ca 0.00 -2.88 0.00 0.00 -0.42 0.00 0.00 57.16 53.86 3igb n GLU 426 Cb 0.00 -2.18 0.00 0.00 -0.57 0.00 0.00 31.44 28.69 3igb n GLU 426 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3igb n PHE 427 N 0.14 0.00 -4.15 -0.32 3.01 -1.26 -5.11 117.46 109.77 3igb n PHE 427 Ca 0.34 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.70 3igb n PHE 427 Cb 1.26 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.63 3igb n PHE 427 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3igb s ARG 428 N -1.30 0.80 -0.04 -1.08 0.52 -1.26 -5.16 118.95 111.44 3igb s ARG 428 Ca 0.00 -1.34 -0.15 0.00 -0.52 0.00 0.00 55.73 53.73 3igb s ARG 428 Cb 0.00 0.02 0.03 0.00 0.52 0.00 0.00 34.95 35.52 3igb s ARG 428 CO 0.00 -0.11 0.32 0.95 0.02 0.00 0.00 175.30 176.48 3igb s THR 429 N -3.82 0.05 0.48 0.02 -4.23 -1.26 -3.32 115.64 103.56 3igb s THR 429 Ca 0.14 -0.38 -0.23 0.00 -1.18 0.00 0.00 61.69 60.04 3igb s THR 429 Cb 0.07 -0.60 -0.08 0.00 1.34 0.00 0.00 72.50 73.23 3igb s THR 429 CO -0.04 -0.21 1.14 0.00 -0.54 0.00 0.00 174.62 174.97 3igb n ALA 430 N 1.56 0.76 -2.70 3.99 0.00 -1.26 -4.89 120.51 117.97 3igb n ALA 430 Ca -0.20 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 3igb n ALA 430 Cb 0.56 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.72 3igb n ALA 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3igb s ALA 431 N -1.31 0.06 -0.14 0.00 0.00 -0.76 -4.96 121.76 114.64 3igb s ALA 431 Ca 0.67 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 3igb s ALA 431 Cb -0.49 0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.89 3igb s ALA 431 CO 0.54 -0.28 -0.04 0.08 0.00 0.00 0.00 175.76 176.05 3igb s VAL 432 N -2.48 0.92 -0.01 0.00 1.01 -1.26 -0.38 120.40 118.20 3igb s VAL 432 Ca -0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3igb s VAL 432 Cb -0.02 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.28 3igb s VAL 432 CO -0.04 0.18 0.03 -1.61 0.00 0.00 0.00 175.10 173.66 3igb s GLU 433 N 1.73 0.03 0.14 2.72 2.02 -0.25 -4.84 118.70 120.24 3igb s GLU 433 Ca 0.02 0.07 -0.25 0.00 0.02 0.00 0.00 54.97 54.83 3igb s GLU 433 Cb -0.14 -0.02 0.08 0.00 0.10 0.00 0.00 34.13 34.15 3igb s GLU 433 CO -0.07 -0.03 1.03 0.20 0.02 0.00 0.00 175.26 176.41 3igb s GLY 434 N 0.16 -0.12 0.62 -1.39 0.00 -1.26 -0.58 107.32 104.75 3igb s GLY 434 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 44.72 44.68 3igb s GLY 434 CO -0.00 0.97 0.91 2.56 0.00 0.00 0.00 173.10 177.53 3igb s PRO 435 N -2.75 2.57 -0.04 2.90 0.05 -1.26 -5.08 135.00 131.38 3igb s PRO 435 Ca 0.16 -0.27 0.02 0.00 0.05 0.00 0.00 61.00 60.95 3igb s PRO 435 Cb -0.01 -2.29 0.01 0.00 0.05 0.00 0.00 34.50 32.27 3igb s PRO 435 CO 0.03 -0.89 -0.07 -0.06 0.05 0.00 0.00 177.00 176.06 3igb s PHE 436 N -3.03 0.86 0.16 0.56 0.40 0.01 -4.96 117.98 111.99 3igb s PHE 436 Ca 0.57 -0.24 -0.25 0.00 -0.60 0.00 0.00 56.93 56.40 3igb s PHE 436 Cb -0.11 -0.69 -0.08 0.00 0.51 0.00 0.00 43.02 42.66 3igb s PHE 436 CO 0.43 -0.16 0.76 0.08 0.70 0.00 0.00 175.22 177.03 3igb s VAL 437 N 0.61 4.39 0.16 -0.44 1.01 -1.26 -0.56 120.40 124.31 3igb s VAL 437 Ca -0.09 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3igb s VAL 437 Cb -0.12 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3igb s VAL 437 CO 0.01 0.53 0.00 0.35 0.00 0.00 0.00 175.10 175.98 3igb n THR 438 N 1.60 0.56 0.00 3.92 -2.24 -0.14 -4.93 114.28 113.05 3igb n THR 438 Ca -0.06 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3igb n THR 438 Cb 0.49 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 3igb n THR 438 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3igb n LEU 439 N -3.34 0.00 0.00 3.22 -0.00 -1.25 -5.07 117.00 110.56 3igb n LEU 439 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3igb n LEU 439 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3igb n LEU 439 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.77 3igb n GLU 442 N 0.00 0.00 -1.20 1.47 -0.58 -1.26 -5.00 120.64 114.08 3igb n GLU 442 Ca 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 3igb n GLU 442 Cb 0.00 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.06 3igb n GLU 442 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3igb n ASP 443 N 0.00 3.83 0.07 1.62 5.68 -1.26 -4.56 116.55 121.94 3igb n ASP 443 Ca 0.00 -3.57 0.06 0.00 -0.50 0.00 0.00 54.79 50.78 3igb n ASP 443 Cb 0.00 -0.82 -0.03 0.00 -1.14 0.00 0.00 41.12 39.12 3igb n ASP 443 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3igb s GLY 445 N -4.56 2.82 0.00 0.00 0.00 -1.26 -3.93 107.32 100.39 3igb s GLY 445 Ca -0.01 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.75 3igb s GLY 445 CO 0.80 1.53 0.00 -1.72 0.00 0.00 0.00 173.10 173.70 3igb n TYR 446 N -0.56 0.00 -0.72 1.90 0.53 -1.26 -4.96 117.16 112.09 3igb n TYR 446 Ca 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.96 3igb n TYR 446 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.78 3igb n TYR 446 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11