#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bg1 n GLU 131 N 0.00 2.94 0.16 -0.67 1.02 -1.26 -4.63 120.64 118.21 3bg1 n GLU 131 Ca 0.00 -0.02 0.07 0.00 -0.02 0.00 0.00 57.16 57.18 3bg1 n GLU 131 Cb 0.00 -0.92 0.07 0.00 -0.02 0.00 0.00 31.44 30.57 3bg1 n GLU 131 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3bg1 h ILE 132 N 0.00 0.44 0.00 -3.67 2.04 -2.05 -3.33 117.51 110.94 3bg1 h ILE 132 Ca 0.00 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 64.17 3bg1 h ILE 132 Cb 0.18 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3bg1 h ILE 132 CO 0.00 0.25 -0.21 -2.24 0.00 0.00 0.00 178.15 175.96 3bg1 h ASP 133 N 0.00 0.00 0.17 1.72 2.03 -1.98 -0.70 116.42 117.66 3bg1 h ASP 133 Ca -0.01 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.05 3bg1 h ASP 133 Cb 1.22 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.75 3bg1 h ASP 133 CO 0.03 0.21 -1.04 0.78 -1.03 0.00 0.00 179.24 178.19 3bg1 h ASN 134 N 0.00 0.58 -0.95 4.15 2.35 -1.88 0.56 115.58 120.38 3bg1 h ASN 134 Ca -0.00 -0.94 0.08 0.00 -0.55 0.00 0.00 56.30 54.88 3bg1 h ASN 134 Cb 0.62 -0.19 -0.07 0.00 0.05 0.00 0.00 38.32 38.74 3bg1 h ASN 134 CO 0.03 1.50 0.61 0.00 -1.65 0.00 0.00 177.43 177.92 3bg1 h ALA 135 N 0.09 1.49 -0.06 -0.83 0.00 -1.63 1.07 119.26 119.39 3bg1 h ALA 135 Ca -0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3bg1 h ALA 135 Cb 1.80 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3bg1 h ALA 135 CO 0.18 0.35 -0.20 0.87 0.00 0.00 0.00 179.25 180.45 3bg1 h LYS 136 N 1.06 0.23 0.49 0.00 1.57 -1.07 0.87 116.57 119.72 3bg1 h LYS 136 Ca 0.42 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3bg1 h LYS 136 Cb 0.25 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3bg1 h LYS 136 CO -0.17 0.81 -0.25 1.25 -0.57 0.00 0.00 179.45 180.51 3bg1 h LEU 137 N -0.29 -0.61 -0.35 2.94 5.85 0.89 0.57 115.31 124.31 3bg1 h LEU 137 Ca -0.01 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3bg1 h LEU 137 Cb 0.84 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3bg1 h LEU 137 CO 0.04 -0.42 -0.07 0.40 -0.34 0.00 0.00 178.44 178.05 3bg1 h ILE 138 N -0.68 1.28 -0.81 4.05 2.04 0.10 3.56 117.51 127.05 3bg1 h ILE 138 Ca -0.06 -1.13 0.11 0.00 1.00 0.00 0.00 64.86 64.78 3bg1 h ILE 138 Cb 0.53 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 3bg1 h ILE 138 CO 0.10 0.37 0.53 -0.03 0.00 0.00 0.00 178.15 179.12 3bg1 h MET 139 N 0.47 0.69 0.12 2.37 4.05 -0.76 -1.28 114.93 120.59 3bg1 h MET 139 Ca 0.09 -0.04 -0.32 0.00 -0.28 0.00 0.00 59.70 59.15 3bg1 h MET 139 Cb 0.57 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 3bg1 h MET 139 CO 0.03 0.46 -1.70 0.87 0.23 0.00 0.00 176.91 176.80 3bg1 h LYS 140 N 0.71 0.26 0.00 0.39 1.79 -0.37 0.16 116.57 119.50 3bg1 h LYS 140 Ca 0.38 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3bg1 h LYS 140 Cb 0.51 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 3bg1 h LYS 140 CO -0.15 1.21 0.00 -0.85 -1.08 0.00 0.00 179.45 178.58 3bg1 n GLU 141 N -3.74 0.44 -0.11 3.15 -0.00 1.18 -1.96 120.64 119.60 3bg1 n GLU 141 Ca -0.28 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 56.92 3bg1 n GLU 141 Cb 0.97 -1.33 0.06 0.00 -0.00 0.00 0.00 31.44 31.14 3bg1 n GLU 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3bg1 n ARG 142 N -0.83 1.48 -3.88 3.44 5.12 -0.50 -4.99 116.66 116.49 3bg1 n ARG 142 Ca 0.07 -1.80 -0.31 0.00 -1.93 0.00 0.00 57.85 53.88 3bg1 n ARG 142 Cb 0.03 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 3bg1 n ARG 142 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3bg1 n ARG 143 N -0.79 -4.25 -3.62 5.56 5.12 -0.83 -4.92 116.66 112.94 3bg1 n ARG 143 Ca 0.07 0.50 -0.40 0.00 -1.93 0.00 0.00 57.85 56.09 3bg1 n ARG 143 Cb 0.52 -5.30 -0.11 0.00 -1.16 0.00 0.00 32.46 26.40 3bg1 n ARG 143 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3bg1 s PHE 144 N -3.21 3.23 0.59 -1.55 2.99 0.56 -5.04 117.98 115.54 3bg1 s PHE 144 Ca 0.63 -0.89 -0.12 0.00 0.00 0.00 0.00 56.93 56.55 3bg1 s PHE 144 Cb -0.33 -2.42 -0.05 0.00 0.00 0.00 0.00 43.02 40.22 3bg1 s PHE 144 CO 0.78 -0.61 1.01 0.99 -0.00 0.00 0.00 175.22 177.39 3bg1 s THR 145 N 1.56 4.67 -2.00 0.64 2.01 -1.26 -4.56 115.64 116.69 3bg1 s THR 145 Ca 0.02 0.95 0.12 0.00 0.31 0.00 0.00 61.69 63.09 3bg1 s THR 145 Cb -0.19 -3.83 0.34 0.00 0.01 0.00 0.00 72.50 68.83 3bg1 s THR 145 CO 0.06 -1.01 1.14 0.00 -0.69 0.00 0.00 174.62 174.12 3bg1 n ALA 146 N -2.42 2.05 0.96 7.40 0.00 -1.26 -1.90 120.51 125.35 3bg1 n ALA 146 Ca 0.06 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.55 3bg1 n ALA 146 Cb 0.54 -1.19 0.32 0.00 0.00 0.00 0.00 19.45 19.11 3bg1 n ALA 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bg1 n SER 147 N -0.88 0.42 -4.51 0.00 2.88 -1.26 -4.94 113.62 105.32 3bg1 n SER 147 Ca 0.09 -0.07 -0.54 0.00 -1.33 0.00 0.00 58.87 57.01 3bg1 n SER 147 Cb 0.04 0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.52 3bg1 n SER 147 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bg1 n TYR 148 N -1.55 1.70 -4.05 0.66 9.36 -0.80 -4.96 117.16 117.52 3bg1 n TYR 148 Ca 0.06 0.43 -0.03 0.00 3.32 0.00 0.00 57.90 61.68 3bg1 n TYR 148 Cb 0.34 -2.47 -0.01 0.00 -0.63 0.00 0.00 39.34 36.58 3bg1 n TYR 148 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 3bg1 n THR 149 N 6.18 0.00 -3.62 2.97 -1.04 -1.26 -5.10 114.28 112.42 3bg1 n THR 149 Ca 0.38 -0.24 -0.02 0.00 -2.04 0.00 0.00 64.05 62.13 3bg1 n THR 149 Cb 0.15 0.03 -0.02 0.00 -1.82 0.00 0.00 70.33 68.67 3bg1 n THR 149 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3bg1 s PHE 150 N -1.15 -0.06 -0.29 -1.42 -0.12 -1.26 -5.11 117.98 108.58 3bg1 s PHE 150 Ca 0.00 0.03 -0.24 0.00 -0.05 0.00 0.00 56.93 56.67 3bg1 s PHE 150 Cb -0.00 0.51 0.14 0.00 -0.63 0.00 0.00 43.02 43.04 3bg1 s PHE 150 CO 0.00 -0.11 1.09 0.00 -0.05 0.00 0.00 175.22 176.15 3bg1 s ALA 151 N -2.22 -2.06 -0.05 1.99 0.00 -1.26 -3.80 121.76 114.36 3bg1 s ALA 151 Ca 0.11 1.90 -0.02 0.00 0.00 0.00 0.00 51.96 53.95 3bg1 s ALA 151 Cb 0.00 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 21.62 3bg1 s ALA 151 CO -0.04 -0.23 0.11 0.15 0.00 0.00 0.00 175.76 175.75 3bg1 s LYS 152 N 0.37 0.02 0.70 0.00 1.02 -1.25 -4.94 119.74 115.66 3bg1 s LYS 152 Ca 0.02 0.36 -0.14 0.00 0.02 0.00 0.00 55.97 56.23 3bg1 s LYS 152 Cb -0.05 -0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.02 3bg1 s LYS 152 CO -0.09 -0.22 1.12 -0.06 -0.92 0.00 0.00 175.35 175.18 3bg1 s PHE 153 N 1.52 2.49 0.35 3.18 0.40 -1.26 -2.53 117.98 122.13 3bg1 s PHE 153 Ca -0.05 1.57 0.06 0.00 -0.60 0.00 0.00 56.93 57.91 3bg1 s PHE 153 Cb -0.12 -3.20 -0.07 0.00 0.51 0.00 0.00 43.02 40.14 3bg1 s PHE 153 CO -0.05 -1.88 0.01 -1.12 0.70 0.00 0.00 175.22 172.88 3bg1 s SER 154 N -2.65 3.14 0.32 1.36 0.01 0.24 -4.94 113.70 111.18 3bg1 s SER 154 Ca 0.67 -1.33 0.04 0.00 1.31 0.00 0.00 55.95 56.64 3bg1 s SER 154 Cb -0.21 -0.24 0.83 0.00 0.21 0.00 0.00 66.02 66.60 3bg1 s SER 154 CO 0.45 -0.47 1.57 0.74 0.41 0.00 0.00 173.24 175.95 3bg1 h THR 155 N 2.00 0.02 0.00 1.44 2.02 -1.97 1.17 112.91 117.59 3bg1 h THR 155 Ca -0.42 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3bg1 h THR 155 Cb 1.24 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3bg1 h THR 155 CO 0.74 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.24 3bg1 n GLY 156 N -1.47 -1.09 0.81 2.16 0.00 -1.26 -4.84 105.19 99.51 3bg1 n GLY 156 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3bg1 n GLY 156 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bg1 n SER 157 N -1.45 -0.95 -4.72 1.61 7.64 0.40 -4.92 113.62 111.22 3bg1 n SER 157 Ca 0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 3bg1 n SER 157 Cb 0.20 -0.20 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3bg1 n SER 157 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bg1 s MET 158 N -1.26 2.72 -0.01 1.43 0.00 -1.22 -4.04 119.30 116.91 3bg1 s MET 158 Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 55.69 54.95 3bg1 s MET 158 Cb 0.00 -2.64 -0.04 0.00 0.00 0.00 0.00 34.83 32.15 3bg1 s MET 158 CO 0.00 0.57 0.07 -1.17 0.00 0.00 0.00 175.02 174.49 3bg1 s LEU 159 N -2.18 3.87 -0.60 0.18 2.96 -1.18 0.80 118.68 122.53 3bg1 s LEU 159 Ca 0.26 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.28 3bg1 s LEU 159 Cb -0.12 -2.24 0.15 0.00 0.50 0.00 0.00 46.19 44.49 3bg1 s LEU 159 CO 0.18 0.28 0.42 -0.76 -1.32 0.00 0.00 176.35 175.14 3bg1 s LEU 160 N -1.68 5.29 0.55 -0.68 1.43 -1.05 -2.73 118.68 119.81 3bg1 s LEU 160 Ca 0.22 -2.72 -0.14 0.00 -1.03 0.00 0.00 54.13 50.46 3bg1 s LEU 160 Cb -0.12 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 3bg1 s LEU 160 CO 0.13 -0.40 0.98 -0.89 0.23 0.00 0.00 176.35 176.40 3bg1 s THR 161 N 0.13 4.63 -0.26 5.49 2.01 0.97 -3.90 115.64 124.72 3bg1 s THR 161 Ca 0.16 1.03 -0.10 0.00 0.31 0.00 0.00 61.69 63.08 3bg1 s THR 161 Cb -0.20 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 3bg1 s THR 161 CO -0.04 -0.86 0.16 -1.59 -0.69 0.00 0.00 174.62 171.61 3bg1 s LYS 162 N -4.50 3.96 0.00 4.92 -2.85 -1.25 0.14 119.74 120.17 3bg1 s LYS 162 Ca 0.57 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 3bg1 s LYS 162 Cb -0.10 -3.57 0.00 0.00 -2.06 0.00 0.00 37.83 32.10 3bg1 s LYS 162 CO 0.40 -0.08 0.00 -0.25 0.10 0.00 0.00 175.35 175.52 3bg1 n ASP 163 N 4.72 2.61 0.00 0.03 9.92 -1.24 -4.88 116.55 127.70 3bg1 n ASP 163 Ca -0.15 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 3bg1 n ASP 163 Cb 0.52 0.57 0.00 0.00 -0.64 0.00 0.00 41.12 41.57 3bg1 n ASP 163 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3bg1 n ILE 164 N -0.83 0.00 1.25 0.53 3.06 -1.26 -4.90 119.36 117.20 3bg1 n ILE 164 Ca 0.00 0.00 0.13 0.00 -2.50 0.00 0.00 62.75 60.38 3bg1 n ILE 164 Cb 0.00 0.00 0.38 0.00 0.54 0.00 0.00 39.64 40.56 3bg1 n ILE 164 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 3bg1 n VAL 165 N -2.10 0.00 -4.06 9.51 0.31 -1.26 -4.78 118.33 115.95 3bg1 n VAL 165 Ca 0.00 -0.13 -0.28 0.00 -0.01 0.00 0.00 64.34 63.92 3bg1 n VAL 165 Cb 0.00 0.40 -0.06 0.00 -0.91 0.00 0.00 33.84 33.27 3bg1 n VAL 165 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3bg1 s GLY 166 N -2.49 1.85 0.49 2.92 0.00 -1.26 -4.91 107.32 103.92 3bg1 s GLY 166 Ca 0.25 -1.12 0.28 0.00 0.00 0.00 0.00 44.72 44.13 3bg1 s GLY 166 CO 0.51 -1.11 1.83 1.70 0.00 0.00 0.00 173.10 176.03 3bg1 h LYS 167 N 2.77 0.14 0.00 2.90 3.11 -1.94 0.30 116.57 123.86 3bg1 h LYS 167 Ca -0.47 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.36 3bg1 h LYS 167 Cb 1.18 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 3bg1 h LYS 167 CO 0.65 0.09 -0.14 0.45 -2.81 0.00 0.00 179.45 177.69 3bg1 n SER 168 N -4.36 2.07 -2.47 4.20 2.88 -1.26 -5.00 113.62 109.68 3bg1 n SER 168 Ca 0.23 -3.17 -0.16 0.00 -1.33 0.00 0.00 58.87 54.43 3bg1 n SER 168 Cb 1.01 -0.43 0.05 0.00 -0.75 0.00 0.00 64.21 64.08 3bg1 n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bg1 n GLY 169 N -1.26 -0.09 2.93 0.46 0.00 0.11 -4.99 105.19 102.34 3bg1 n GLY 169 Ca 0.16 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3bg1 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bg1 s VAL 170 N -3.15 2.99 -0.77 1.61 1.01 -1.26 -3.69 120.40 117.14 3bg1 s VAL 170 Ca 0.34 -4.07 -0.26 0.00 0.00 0.00 0.00 61.98 58.00 3bg1 s VAL 170 Cb -0.15 -2.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 3bg1 s VAL 170 CO 0.43 -0.98 2.17 -0.44 0.00 0.00 0.00 175.10 176.28 3bg1 s SER 171 N -1.12 4.59 -0.47 3.32 0.01 0.37 -4.78 113.70 115.61 3bg1 s SER 171 Ca 0.24 -0.05 -0.06 0.00 1.31 0.00 0.00 55.95 57.39 3bg1 s SER 171 Cb -0.09 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.43 3bg1 s SER 171 CO -0.13 -3.15 2.87 -0.38 0.41 0.00 0.00 173.24 172.85 3bg1 n ILE 172 N 8.16 2.81 -0.64 1.44 5.41 -1.26 -0.02 119.36 135.26 3bg1 n ILE 172 Ca 0.40 -1.52 -0.31 0.00 1.00 0.00 0.00 62.75 62.31 3bg1 n ILE 172 Cb 0.47 -2.08 0.19 0.00 -0.71 0.00 0.00 39.64 37.50 3bg1 n ILE 172 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3bg1 n LYS 173 N 3.05 -1.40 -4.57 0.38 5.02 -1.11 -4.80 118.16 114.72 3bg1 n LYS 173 Ca 0.45 -0.38 -0.26 0.00 -2.02 0.00 0.00 58.31 56.10 3bg1 n LYS 173 Cb 0.54 -1.98 -0.11 0.00 -0.02 0.00 0.00 35.03 33.47 3bg1 n LYS 173 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3bg1 s ARG 174 N -3.95 1.87 -0.25 1.97 3.52 -1.26 -3.09 118.95 117.75 3bg1 s ARG 174 Ca 0.62 -2.03 -0.16 0.00 -0.13 0.00 0.00 55.73 54.02 3bg1 s ARG 174 Cb -0.20 -1.52 -0.03 0.00 -1.56 0.00 0.00 34.95 31.64 3bg1 s ARG 174 CO 0.65 -0.03 0.42 -1.17 -0.81 0.00 0.00 175.30 174.36 3bg1 s LEU 175 N -3.65 4.06 0.11 -0.88 2.96 -1.26 -4.90 118.68 115.13 3bg1 s LEU 175 Ca 0.34 0.40 -0.31 0.00 -0.22 0.00 0.00 54.13 54.34 3bg1 s LEU 175 Cb 0.08 -2.51 -0.10 0.00 0.50 0.00 0.00 46.19 44.16 3bg1 s LEU 175 CO 0.17 -0.20 1.70 -2.16 -1.32 0.00 0.00 176.35 174.55 3bg1 s PRO 176 N 2.01 4.17 -0.99 0.98 0.04 -1.26 -4.77 135.00 135.19 3bg1 s PRO 176 Ca 0.18 2.45 -0.13 0.00 0.04 0.00 0.00 61.00 63.54 3bg1 s PRO 176 Cb -0.16 -3.48 0.23 0.00 0.04 0.00 0.00 34.50 31.13 3bg1 s PRO 176 CO 0.09 -0.75 1.01 0.99 0.04 0.00 0.00 177.00 178.38 3bg1 s THR 177 N 2.31 5.63 -1.23 1.26 2.01 -1.26 -4.87 115.64 119.48 3bg1 s THR 177 Ca 0.76 -2.78 0.00 0.00 0.31 0.00 0.00 61.69 59.98 3bg1 s THR 177 Cb -0.43 -4.60 0.00 0.00 0.01 0.00 0.00 72.50 67.48 3bg1 s THR 177 CO 0.33 -1.20 0.02 -1.84 -0.69 0.00 0.00 174.62 171.24 3bg1 n GLU 178 N 3.89 0.03 -2.59 4.92 0.28 -1.26 -4.47 120.64 121.44 3bg1 n GLU 178 Ca 0.21 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.78 3bg1 n GLU 178 Cb 0.44 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.30 3bg1 n GLU 178 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3bg1 n LEU 179 N 0.26 5.50 -4.56 -1.84 7.94 -1.26 -4.99 117.00 118.05 3bg1 n LEU 179 Ca 0.00 -4.25 -0.37 0.00 -1.11 0.00 0.00 56.01 50.28 3bg1 n LEU 179 Cb 0.00 -1.65 -0.04 0.00 0.53 0.00 0.00 43.42 42.27 3bg1 n LEU 179 CO 0.00 0.65 1.43 -1.10 -1.11 0.00 0.00 177.39 177.26 3bg1 s GLN 180 N 2.58 3.28 -0.43 1.96 -0.21 -1.26 -4.89 119.66 120.69 3bg1 s GLN 180 Ca 0.47 -0.83 0.06 0.00 0.02 0.00 0.00 55.36 55.09 3bg1 s GLN 180 Cb 0.03 -5.21 0.18 0.00 1.00 0.00 0.00 33.01 29.02 3bg1 s GLN 180 CO 0.02 -2.53 0.69 0.50 -2.12 0.00 0.00 175.29 171.85 3bg1 s ARG 181 N 5.60 0.82 0.02 2.91 3.52 -1.26 -5.09 118.95 125.46 3bg1 s ARG 181 Ca 0.52 -0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.68 3bg1 s ARG 181 Cb -0.02 0.06 -0.00 0.00 -1.56 0.00 0.00 34.95 33.42 3bg1 s ARG 181 CO -0.06 -1.13 0.14 1.63 -0.81 0.00 0.00 175.30 175.07 3bg1 n LYS 182 N 4.02 -0.04 0.15 5.12 5.02 -1.26 -2.11 118.16 129.06 3bg1 n LYS 182 Ca 0.12 0.14 0.17 0.00 -2.02 0.00 0.00 58.31 56.72 3bg1 n LYS 182 Cb 0.57 -0.21 0.62 0.00 -0.02 0.00 0.00 35.03 36.00 3bg1 n LYS 182 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3bg1 h PHE 183 N 0.00 0.00 0.00 2.13 -5.15 -1.99 -1.87 116.94 110.06 3bg1 h PHE 183 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 3bg1 h PHE 183 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.21 3bg1 h PHE 183 CO -0.09 0.00 0.00 -0.07 -2.00 0.00 0.00 178.31 176.15 3bg1 h LEU 184 N 0.00 0.00 -2.48 2.10 3.38 -1.86 -2.26 115.31 114.19 3bg1 h LEU 184 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3bg1 h LEU 184 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3bg1 h LEU 184 CO -0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3bg1 n PHE 185 N -2.56 1.02 -4.57 1.13 3.01 -0.70 -4.87 117.46 109.91 3bg1 n PHE 185 Ca -0.02 -0.46 -0.33 0.00 1.01 0.00 0.00 57.45 57.65 3bg1 n PHE 185 Cb 0.05 -0.08 -0.16 0.00 -0.01 0.00 0.00 39.48 39.28 3bg1 n PHE 185 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3bg1 s ASP 186 N -0.94 3.44 0.23 4.37 -1.08 -0.85 -5.02 116.67 116.82 3bg1 s ASP 186 Ca 0.43 -0.52 -0.18 0.00 -0.52 0.00 0.00 52.55 51.76 3bg1 s ASP 186 Cb 0.24 -1.52 0.23 0.00 -1.46 0.00 0.00 42.92 40.42 3bg1 s ASP 186 CO 0.26 0.08 1.55 0.44 0.52 0.00 0.00 175.17 178.02 3bg1 h ASP 187 N 7.33 -1.43 -0.87 -0.34 3.32 -1.89 -2.12 116.42 120.42 3bg1 h ASP 187 Ca -0.33 0.31 0.13 0.00 0.02 0.00 0.00 57.03 57.16 3bg1 h ASP 187 Cb 1.19 0.75 -0.14 0.00 0.22 0.00 0.00 39.33 41.35 3bg1 h ASP 187 CO 0.56 -0.29 -0.36 0.52 -1.72 0.00 0.00 179.24 177.96 3bg1 n VAL 188 N -5.47 -0.47 0.32 -1.35 0.31 -1.26 0.40 118.33 110.80 3bg1 n VAL 188 Ca 0.10 2.04 -0.16 0.00 -0.01 0.00 0.00 64.34 66.31 3bg1 n VAL 188 Cb 0.40 -2.68 -0.08 0.00 -0.91 0.00 0.00 33.84 30.56 3bg1 n VAL 188 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3bg1 h TYR 189 N 0.00 -1.14 -0.48 3.52 3.20 -1.66 1.05 116.97 121.45 3bg1 h TYR 189 Ca 0.29 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.24 3bg1 h TYR 189 Cb 0.50 0.43 -0.07 0.00 1.54 0.00 0.00 36.73 39.13 3bg1 h TYR 189 CO -0.78 -0.60 0.08 1.25 -1.64 0.00 0.00 178.16 176.47 3bg1 h LEU 190 N -0.95 -0.04 0.50 2.82 5.85 -1.40 0.26 115.31 122.35 3bg1 h LEU 190 Ca -0.07 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3bg1 h LEU 190 Cb 0.78 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3bg1 h LEU 190 CO 0.03 0.01 -0.29 -0.78 -0.34 0.00 0.00 178.44 177.07 3bg1 h ASP 191 N 0.21 -0.71 -0.36 1.25 1.82 0.21 -2.55 116.42 116.28 3bg1 h ASP 191 Ca 0.24 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.90 3bg1 h ASP 191 Cb 0.33 0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 3bg1 h ASP 191 CO -0.33 -0.46 0.15 0.50 -1.61 0.00 0.00 179.24 177.49 3bg1 h LYS 192 N -0.74 0.54 0.00 0.28 3.64 0.15 -2.32 116.57 118.12 3bg1 h LYS 192 Ca -0.06 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3bg1 h LYS 192 Cb 0.59 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3bg1 h LYS 192 CO 0.07 0.51 0.00 -1.91 -2.27 0.00 0.00 179.45 175.86 3bg1 n GLU 193 N -4.69 0.06 0.10 1.90 2.13 0.88 -1.87 120.64 119.14 3bg1 n GLU 193 Ca -0.01 0.47 -0.16 0.00 0.66 0.00 0.00 57.16 58.12 3bg1 n GLU 193 Cb 0.13 -1.65 -0.11 0.00 0.27 0.00 0.00 31.44 30.08 3bg1 n GLU 193 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3bg1 h ILE 194 N 0.00 1.46 0.00 6.31 2.04 -0.98 -3.06 117.51 123.28 3bg1 h ILE 194 Ca 0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 3bg1 h ILE 194 Cb 0.10 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 3bg1 h ILE 194 CO 0.00 0.84 0.00 -0.33 0.00 0.00 0.00 178.15 178.66 3bg1 h GLU 195 N 0.12 0.00 0.00 2.37 5.08 -1.44 -0.85 114.58 119.87 3bg1 h GLU 195 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3bg1 h GLU 195 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 3bg1 h GLU 195 CO 0.19 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.83 3bg1 n LYS 196 N -2.75 0.41 -4.42 2.33 4.76 -1.16 -4.82 118.16 112.52 3bg1 n LYS 196 Ca -0.01 0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.28 3bg1 n LYS 196 Cb 0.16 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.74 3bg1 n LYS 196 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3bg1 s VAL 197 N -2.27 1.46 -0.21 -0.18 1.01 -0.33 -1.88 120.40 118.01 3bg1 s VAL 197 Ca 0.22 -2.08 0.01 0.00 0.00 0.00 0.00 61.98 60.12 3bg1 s VAL 197 Cb 0.12 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 34.03 3bg1 s VAL 197 CO 0.23 -0.24 -0.08 -0.89 0.00 0.00 0.00 175.10 174.13 3bg1 s THR 198 N -3.13 1.52 0.06 3.92 2.01 0.49 -5.00 115.64 115.51 3bg1 s THR 198 Ca 0.31 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.29 3bg1 s THR 198 Cb 0.05 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3bg1 s THR 198 CO 0.12 0.07 0.18 -0.63 -0.69 0.00 0.00 174.62 173.68 3bg1 s ILE 199 N 1.43 5.22 -0.25 1.82 1.01 -1.26 -0.51 121.20 128.66 3bg1 s ILE 199 Ca -0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 3bg1 s ILE 199 Cb -0.17 -3.53 0.08 0.00 0.01 0.00 0.00 42.46 38.84 3bg1 s ILE 199 CO -0.07 0.15 0.61 -0.70 0.00 0.00 0.00 174.94 174.93 3bg1 s GLU 200 N -2.44 0.62 0.48 2.79 2.12 -0.71 -4.86 118.70 116.70 3bg1 s GLU 200 Ca 0.33 1.12 -0.22 0.00 0.36 0.00 0.00 54.97 56.56 3bg1 s GLU 200 Cb -0.13 0.11 -0.09 0.00 0.26 0.00 0.00 34.13 34.28 3bg1 s GLU 200 CO 0.26 -0.15 0.85 0.00 -0.54 0.00 0.00 175.26 175.67 3bg1 n ALA 201 N 4.33 -0.31 -1.36 6.30 0.00 -1.26 -1.51 120.51 126.69 3bg1 n ALA 201 Ca -0.21 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 3bg1 n ALA 201 Cb 0.58 -2.00 0.15 0.00 0.00 0.00 0.00 19.45 18.19 3bg1 n ALA 201 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3bg1 s ARG 202 N -2.11 0.79 0.53 0.00 1.81 -0.78 -4.78 118.95 114.42 3bg1 s ARG 202 Ca 0.67 0.39 0.31 0.00 -1.72 0.00 0.00 55.73 55.38 3bg1 s ARG 202 Cb -0.52 -1.79 1.36 0.00 -0.45 0.00 0.00 34.95 33.55 3bg1 s ARG 202 CO 0.55 -2.46 1.99 0.87 -0.68 0.00 0.00 175.30 175.57 3bg1 h LYS 203 N -1.69 0.00 -0.25 3.54 1.57 -1.92 -3.20 116.57 114.62 3bg1 h LYS 203 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3bg1 h LYS 203 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3bg1 h LYS 203 CO 0.60 0.08 0.00 -1.13 -0.57 0.00 0.00 179.45 178.43 3bg1 n SER 204 N -3.25 2.95 0.00 0.86 3.41 -1.26 -5.05 113.62 111.27 3bg1 n SER 204 Ca -0.00 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 3bg1 n SER 204 Cb 0.31 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3bg1 n SER 204 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3bg1 n ASN 205 N -0.00 0.00 0.00 4.04 0.23 -1.21 -5.01 115.26 113.30 3bg1 n ASN 205 Ca 0.12 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.26 3bg1 n ASN 205 Cb 0.51 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.65 3bg1 n ASN 205 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 3bg1 n PRO 206 N -0.10 0.25 -1.90 -0.53 -0.04 -1.26 -2.49 135.00 128.94 3bg1 n PRO 206 Ca 0.00 0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 3bg1 n PRO 206 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3bg1 n PRO 206 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3bg1 s TYR 207 N -2.56 1.68 0.37 0.54 1.51 -1.26 -4.54 117.35 113.08 3bg1 s TYR 207 Ca 0.17 0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 56.38 3bg1 s TYR 207 Cb 0.12 -4.04 -0.12 0.00 -0.11 0.00 0.00 41.96 37.81 3bg1 s TYR 207 CO 0.27 -3.63 1.03 -0.35 -1.11 0.00 0.00 175.55 171.76 3bg1 n PRO 208 N 8.08 1.43 -3.79 -1.71 -0.04 -1.25 -1.86 135.00 135.86 3bg1 n PRO 208 Ca 0.23 0.51 -0.13 0.00 -0.04 0.00 0.00 63.50 64.06 3bg1 n PRO 208 Cb 0.45 -2.00 -0.09 0.00 -0.04 0.00 0.00 33.50 31.82 3bg1 n PRO 208 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3bg1 s GLN 209 N -1.83 0.58 0.01 0.54 -0.21 -0.57 -4.77 119.66 113.41 3bg1 s GLN 209 Ca 0.61 -0.16 -0.30 0.00 0.02 0.00 0.00 55.36 55.53 3bg1 s GLN 209 Cb -0.61 0.26 -0.07 0.00 1.00 0.00 0.00 33.01 33.60 3bg1 s GLN 209 CO 0.59 -0.15 1.61 0.42 -2.12 0.00 0.00 175.29 175.64 3bg1 s ILE 210 N -1.14 3.38 -0.18 1.08 1.09 -1.12 -1.74 121.20 122.56 3bg1 s ILE 210 Ca -0.12 0.68 -0.18 0.00 -1.10 0.00 0.00 60.65 59.93 3bg1 s ILE 210 Cb -0.05 -3.44 -0.14 0.00 -1.06 0.00 0.00 42.46 37.77 3bg1 s ILE 210 CO 0.03 -0.03 0.10 -1.28 -0.10 0.00 0.00 174.94 173.67 3bg1 h SER 211 N 8.77 0.00 -3.62 3.58 0.87 -1.12 -3.48 113.55 118.56 3bg1 h SER 211 Ca -0.40 -0.35 -0.28 0.00 -1.23 0.00 0.00 61.79 59.52 3bg1 h SER 211 Cb 1.19 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.83 3bg1 h SER 211 CO 0.93 1.24 -0.73 -1.61 -0.53 0.00 0.00 176.83 176.13 3bg1 s GLU 212 N -2.31 0.07 -0.20 2.24 0.41 -1.07 -5.00 118.70 112.84 3bg1 s GLU 212 Ca -0.24 0.07 -0.04 0.00 -0.41 0.00 0.00 54.97 54.35 3bg1 s GLU 212 Cb 0.04 -0.21 0.07 0.00 -1.78 0.00 0.00 34.13 32.25 3bg1 s GLU 212 CO 0.47 -0.08 0.09 0.45 -0.49 0.00 0.00 175.26 175.70 3bg1 s SER 213 N 0.59 2.69 -1.37 -0.19 0.15 -1.26 -0.38 113.70 113.93 3bg1 s SER 213 Ca -0.05 -0.79 -0.10 0.00 0.70 0.00 0.00 55.95 55.70 3bg1 s SER 213 Cb -0.08 -0.33 0.10 0.00 -1.71 0.00 0.00 66.02 64.00 3bg1 s SER 213 CO -0.01 -0.36 2.14 -1.54 1.20 0.00 0.00 173.24 174.67 3bg1 n SER 214 N 5.23 5.46 -4.47 5.45 3.41 -0.79 -4.84 113.62 123.07 3bg1 n SER 214 Ca -0.07 -2.99 -0.36 0.00 -0.26 0.00 0.00 58.87 55.19 3bg1 n SER 214 Cb 0.47 -1.52 -0.12 0.00 -0.26 0.00 0.00 64.21 62.78 3bg1 n SER 214 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3bg1 s LEU 215 N 0.29 3.41 0.13 1.04 1.43 -1.26 -4.95 118.68 118.76 3bg1 s LEU 215 Ca 0.46 -0.18 0.09 0.00 -1.03 0.00 0.00 54.13 53.48 3bg1 s LEU 215 Cb 0.13 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3bg1 s LEU 215 CO -0.04 0.02 -0.22 -0.76 0.23 0.00 0.00 176.35 175.58 3bg1 s LEU 216 N 1.27 2.34 0.26 1.79 1.43 -1.26 -4.55 118.68 119.95 3bg1 s LEU 216 Ca 0.04 -0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 3bg1 s LEU 216 Cb -0.15 -0.98 0.52 0.00 0.03 0.00 0.00 46.19 45.61 3bg1 s LEU 216 CO 0.03 0.08 1.73 -0.26 0.23 0.00 0.00 176.35 178.15 3bg1 h PHE 217 N 3.80 0.59 -0.86 0.29 -1.00 -1.93 -1.96 116.94 115.87 3bg1 h PHE 217 Ca -0.47 0.04 0.14 0.00 2.81 0.00 0.00 57.97 60.49 3bg1 h PHE 217 Cb 1.18 -0.14 -0.14 0.00 3.61 0.00 0.00 35.95 40.46 3bg1 h PHE 217 CO 0.63 0.07 -0.32 1.63 -1.61 0.00 0.00 178.31 178.71 3bg1 n LYS 218 N -4.98 -0.19 -0.38 1.51 5.02 -1.26 -1.02 118.16 116.87 3bg1 n LYS 218 Ca 0.16 1.33 -0.09 0.00 -2.02 0.00 0.00 58.31 57.69 3bg1 n LYS 218 Cb 0.46 -1.97 -0.07 0.00 -0.02 0.00 0.00 35.03 33.43 3bg1 n LYS 218 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3bg1 n ASP 219 N -5.28 -0.90 -0.11 4.39 8.00 -0.74 -0.75 116.55 121.16 3bg1 n ASP 219 Ca 0.09 1.61 0.20 0.00 0.71 0.00 0.00 54.79 57.41 3bg1 n ASP 219 Cb 0.35 -0.23 0.62 0.00 -0.02 0.00 0.00 41.12 41.84 3bg1 n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bg1 h ALA 220 N 0.59 2.42 -0.76 2.24 0.00 -1.21 -3.23 119.26 119.31 3bg1 h ALA 220 Ca 0.17 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.23 3bg1 h ALA 220 Cb 0.40 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.06 3bg1 h ALA 220 CO -0.86 -0.62 -0.11 -0.07 0.00 0.00 0.00 179.25 177.59 3bg1 h LEU 221 N 0.16 -0.56 -0.87 0.00 3.38 -1.00 -2.58 115.31 113.85 3bg1 h LEU 221 Ca 0.34 0.22 0.18 0.00 0.09 0.00 0.00 57.88 58.71 3bg1 h LEU 221 Cb 1.10 0.42 -0.11 0.00 0.09 0.00 0.00 40.66 42.16 3bg1 h LEU 221 CO -0.06 -0.23 0.41 0.44 0.09 0.00 0.00 178.44 179.10 3bg1 h ASP 222 N 0.04 0.42 0.24 -0.43 3.32 -1.74 -1.41 116.42 116.86 3bg1 h ASP 222 Ca 0.39 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.56 3bg1 h ASP 222 Cb 0.63 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3bg1 h ASP 222 CO -0.74 0.10 0.00 -1.22 -1.72 0.00 0.00 179.24 175.67 3bg1 n TYR 223 N -4.96 0.00 -3.78 4.55 4.02 -0.97 -4.82 117.16 111.20 3bg1 n TYR 223 Ca 0.19 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.83 3bg1 n TYR 223 Cb 0.54 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 3bg1 n TYR 223 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 3bg1 s MET 224 N -2.28 2.27 -0.12 -0.72 -1.94 -0.53 -4.76 119.30 111.22 3bg1 s MET 224 Ca 0.33 -1.95 0.00 0.00 -1.71 0.00 0.00 55.69 52.36 3bg1 s MET 224 Cb 0.18 -2.17 -0.02 0.00 2.01 0.00 0.00 34.83 34.83 3bg1 s MET 224 CO 0.36 -0.62 -0.13 -1.21 -0.01 0.00 0.00 175.02 173.40 3bg1 s GLU 225 N -4.32 3.30 0.00 2.03 2.02 -1.26 -5.02 118.70 115.45 3bg1 s GLU 225 Ca 0.38 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.69 3bg1 s GLU 225 Cb -0.03 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3bg1 s GLU 225 CO 0.23 0.27 0.75 1.63 0.02 0.00 0.00 175.26 178.17 3bg1 n LYS 226 N 3.37 0.00 -0.01 1.61 5.02 -1.26 -2.05 118.16 124.84 3bg1 n LYS 226 Ca -0.18 0.25 0.05 0.00 -2.02 0.00 0.00 58.31 56.42 3bg1 n LYS 226 Cb 0.53 -1.74 -0.14 0.00 -0.02 0.00 0.00 35.03 33.66 3bg1 n LYS 226 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3bg1 n THR 227 N -1.25 0.50 -1.94 -0.18 -1.04 -1.26 -4.89 114.28 104.22 3bg1 n THR 227 Ca 0.00 -0.60 -0.34 0.00 -2.04 0.00 0.00 64.05 61.07 3bg1 n THR 227 Cb 0.24 -0.22 0.03 0.00 -1.82 0.00 0.00 70.33 68.56 3bg1 n THR 227 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3bg1 s SER 228 N -4.97 5.35 0.45 8.00 1.04 -0.87 -4.92 113.70 117.78 3bg1 s SER 228 Ca -0.07 2.05 0.16 0.00 0.48 0.00 0.00 55.95 58.57 3bg1 s SER 228 Cb 0.11 -2.56 1.04 0.00 0.10 0.00 0.00 66.02 64.71 3bg1 s SER 228 CO 0.87 -1.47 1.99 0.77 0.98 0.00 0.00 173.24 176.37 3bg1 h SER 229 N 0.44 0.00 0.55 7.02 4.64 -1.94 -2.67 113.55 121.59 3bg1 h SER 229 Ca -0.48 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 3bg1 h SER 229 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3bg1 h SER 229 CO 0.55 0.19 -0.43 0.44 -0.87 0.00 0.00 176.83 176.72 3bg1 h ASP 230 N 0.00 -1.13 -1.04 4.97 3.32 -1.92 0.19 116.42 120.81 3bg1 h ASP 230 Ca -0.00 0.08 0.31 0.00 0.02 0.00 0.00 57.03 57.44 3bg1 h ASP 230 Cb 0.36 0.36 -0.14 0.00 0.22 0.00 0.00 39.33 40.13 3bg1 h ASP 230 CO 0.03 -0.62 0.61 0.22 -1.72 0.00 0.00 179.24 177.76 3bg1 h TYR 231 N -0.95 0.88 0.53 4.55 3.20 -1.71 0.78 116.97 124.24 3bg1 h TYR 231 Ca -0.06 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 3bg1 h TYR 231 Cb 0.81 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.85 3bg1 h TYR 231 CO -0.17 -0.11 -0.25 -0.91 -1.64 0.00 0.00 178.16 175.07 3bg1 h ASN 232 N 0.35 -0.60 -0.84 -2.11 2.35 -1.10 1.51 115.58 115.15 3bg1 h ASN 232 Ca 0.71 0.02 0.21 0.00 -0.55 0.00 0.00 56.30 56.69 3bg1 h ASN 232 Cb 1.67 0.15 -0.14 0.00 0.05 0.00 0.00 38.32 40.05 3bg1 h ASN 232 CO -0.53 -0.32 0.08 0.25 -1.65 0.00 0.00 177.43 175.26 3bg1 h LEU 233 N -0.93 -0.26 0.34 1.61 5.85 0.93 1.30 115.31 124.14 3bg1 h LEU 233 Ca -0.07 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3bg1 h LEU 233 Cb 0.54 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3bg1 h LEU 233 CO 0.12 -0.20 -0.16 -0.50 -0.34 0.00 0.00 178.44 177.35 3bg1 h TRP 234 N 0.12 -0.42 -1.01 1.25 4.06 0.57 -2.46 115.95 118.07 3bg1 h TRP 234 Ca 0.49 -0.01 0.24 0.00 2.06 0.00 0.00 58.89 61.67 3bg1 h TRP 234 Cb 0.93 0.14 -0.12 0.00 -1.00 0.00 0.00 29.16 29.11 3bg1 h TRP 234 CO -0.39 -0.11 0.60 -0.22 -3.56 0.00 0.00 178.44 174.77 3bg1 h LYS 235 N -0.98 0.57 0.74 0.49 1.63 0.35 0.30 116.57 119.67 3bg1 h LYS 235 Ca -0.05 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 3bg1 h LYS 235 Cb 0.51 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 32.02 3bg1 h LYS 235 CO 0.08 0.38 -0.36 1.25 -3.45 0.00 0.00 179.45 177.35 3bg1 h LEU 236 N 0.59 -0.84 -0.42 5.20 5.85 0.16 -2.52 115.31 123.32 3bg1 h LEU 236 Ca 0.64 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.46 3bg1 h LEU 236 Cb 1.22 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 3bg1 h LEU 236 CO -0.46 -0.60 0.03 0.28 -0.34 0.00 0.00 178.44 177.35 3bg1 h SER 237 N -1.00 -0.12 -0.31 1.25 0.02 -0.85 0.40 113.55 112.93 3bg1 h SER 237 Ca -0.10 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.03 3bg1 h SER 237 Cb 0.76 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 3bg1 h SER 237 CO 0.17 -0.03 0.50 -1.28 -1.14 0.00 0.00 176.83 175.05 3bg1 h SER 238 N 0.14 0.00 0.01 3.07 0.87 -0.79 0.62 113.55 117.47 3bg1 h SER 238 Ca 0.21 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.53 3bg1 h SER 238 Cb 0.29 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 3bg1 h SER 238 CO -0.33 0.00 -1.32 -0.38 -0.53 0.00 0.00 176.83 174.27 3bg1 n ILE 239 N -3.35 1.55 0.10 2.23 5.41 0.12 -2.82 119.36 122.60 3bg1 n ILE 239 Ca 0.05 -0.06 -0.00 0.00 1.00 0.00 0.00 62.75 63.74 3bg1 n ILE 239 Cb 0.64 -2.03 0.29 0.00 -0.71 0.00 0.00 39.64 37.83 3bg1 n ILE 239 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3bg1 h LEU 240 N -0.96 0.24 0.00 1.39 3.38 0.50 -3.38 115.31 116.48 3bg1 h LEU 240 Ca -0.36 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.42 3bg1 h LEU 240 Cb 1.34 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3bg1 h LEU 240 CO -0.20 0.53 -1.42 0.49 0.09 0.00 0.00 178.44 177.92 3bg1 n PHE 241 N -4.13 0.00 -1.72 1.13 3.01 0.20 -4.99 117.46 110.97 3bg1 n PHE 241 Ca -0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 3bg1 n PHE 241 Cb 0.39 -0.29 -0.02 0.00 -0.01 0.00 0.00 39.48 39.54 3bg1 n PHE 241 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3bg1 n ASP 242 N -2.56 3.61 -4.61 4.37 8.00 -1.13 -4.88 116.55 119.36 3bg1 n ASP 242 Ca -0.12 1.12 -0.41 0.00 0.71 0.00 0.00 54.79 56.09 3bg1 n ASP 242 Cb 0.66 -1.54 0.01 0.00 -0.02 0.00 0.00 41.12 40.23 3bg1 n ASP 242 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3bg1 n PRO 243 N 2.65 1.33 -3.98 -0.24 -0.04 -1.26 -4.78 135.00 128.68 3bg1 n PRO 243 Ca 0.12 0.48 -0.24 0.00 -0.04 0.00 0.00 63.50 63.82 3bg1 n PRO 243 Cb 0.35 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 3bg1 n PRO 243 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bg1 s VAL 244 N -1.29 5.16 -0.28 0.52 1.01 -1.26 -5.12 120.40 119.14 3bg1 s VAL 244 Ca 0.64 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 3bg1 s VAL 244 Cb -0.55 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.20 3bg1 s VAL 244 CO 0.56 -0.21 0.84 -0.94 0.00 0.00 0.00 175.10 175.35 3bg1 s SER 245 N -3.58 -0.68 0.70 3.32 1.04 -1.26 -5.04 113.70 108.20 3bg1 s SER 245 Ca 0.34 1.20 -0.15 0.00 0.48 0.00 0.00 55.95 57.82 3bg1 s SER 245 Cb -0.10 1.25 0.02 0.00 0.10 0.00 0.00 66.02 67.30 3bg1 s SER 245 CO 0.28 -0.20 1.16 -0.72 0.98 0.00 0.00 173.24 174.74 3bg1 s TYR 246 N 0.85 2.29 -0.29 5.02 -0.85 -1.26 -4.95 117.35 118.16 3bg1 s TYR 246 Ca -0.03 1.58 0.15 0.00 -0.52 0.00 0.00 57.07 58.25 3bg1 s TYR 246 Cb -0.05 -3.33 0.42 0.00 0.38 0.00 0.00 41.96 39.38 3bg1 s TYR 246 CO -0.09 -2.20 1.32 -0.35 -1.52 0.00 0.00 175.55 172.70 3bg1 n PRO 247 N -2.61 2.63 -3.76 -3.49 -0.04 -1.26 -4.96 135.00 121.50 3bg1 n PRO 247 Ca 0.12 -2.59 -0.13 0.00 -0.04 0.00 0.00 63.50 60.86 3bg1 n PRO 247 Cb 0.51 -1.64 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 3bg1 n PRO 247 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3bg1 s TYR 248 N -2.43 -0.32 -1.39 0.54 1.51 -1.26 -5.10 117.35 108.90 3bg1 s TYR 248 Ca 0.35 0.76 -0.15 0.00 -1.01 0.00 0.00 57.07 57.01 3bg1 s TYR 248 Cb 0.27 0.11 0.04 0.00 -0.11 0.00 0.00 41.96 42.28 3bg1 s TYR 248 CO 0.08 -0.20 2.08 0.36 -1.11 0.00 0.00 175.55 176.76 3bg1 n LYS 249 N 2.64 2.87 -4.13 -0.62 2.85 -1.26 -4.93 118.16 115.58 3bg1 n LYS 249 Ca -0.14 -2.75 -0.35 0.00 -1.05 0.00 0.00 58.31 54.02 3bg1 n LYS 249 Cb 0.57 -3.34 -0.09 0.00 -0.65 0.00 0.00 35.03 31.53 3bg1 n LYS 249 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3bg1 s THR 250 N 3.65 4.73 -0.21 0.58 2.01 -1.26 -5.05 115.64 120.09 3bg1 s THR 250 Ca 0.50 -0.08 0.11 0.00 0.31 0.00 0.00 61.69 62.53 3bg1 s THR 250 Cb 0.11 -3.06 0.42 0.00 0.01 0.00 0.00 72.50 69.98 3bg1 s THR 250 CO -0.03 0.55 1.22 -0.90 -0.69 0.00 0.00 174.62 174.77 3bg1 n ASP 251 N 2.68 1.85 -4.56 3.53 5.75 -1.26 -4.78 116.55 119.77 3bg1 n ASP 251 Ca -0.18 -3.89 -0.41 0.00 -0.01 0.00 0.00 54.79 50.30 3bg1 n ASP 251 Cb 0.53 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 3bg1 n ASP 251 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3bg1 s ASN 252 N -3.25 5.93 0.60 -1.12 3.84 -1.26 -4.76 114.94 114.92 3bg1 s ASN 252 Ca 0.39 0.08 0.29 0.00 0.21 0.00 0.00 52.86 53.83 3bg1 s ASN 252 Cb 0.37 -2.55 1.62 0.00 -0.55 0.00 0.00 41.25 40.15 3bg1 s ASN 252 CO -0.07 -1.91 2.02 0.44 -2.79 0.00 0.00 177.10 174.79 3bg1 h ASP 253 N 11.71 0.00 0.63 -4.21 5.19 -1.98 1.56 116.42 129.32 3bg1 h ASP 253 Ca -0.27 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.05 3bg1 h ASP 253 Cb 1.10 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 3bg1 h ASP 253 CO 1.22 0.00 -0.40 1.56 -3.12 0.00 0.00 179.24 178.50 3bg1 h GLN 254 N 0.00 0.00 0.00 3.56 1.08 -1.98 -2.17 115.11 115.59 3bg1 h GLN 254 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3bg1 h GLN 254 Cb 0.73 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 3bg1 h GLN 254 CO -0.00 0.40 -0.25 0.28 -0.95 0.00 0.00 178.83 178.31 3bg1 h VAL 255 N 0.00 0.00 -0.78 -0.54 2.07 0.17 -3.17 116.25 114.00 3bg1 h VAL 255 Ca -0.00 -0.69 0.18 0.00 0.82 0.00 0.00 66.70 67.00 3bg1 h VAL 255 Cb 0.82 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.45 3bg1 h VAL 255 CO 0.05 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.09 3bg1 h LYS 256 N -0.69 0.06 0.00 1.57 3.64 -0.83 0.99 116.57 121.31 3bg1 h LYS 256 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3bg1 h LYS 256 Cb 0.25 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3bg1 h LYS 256 CO 0.00 0.04 -0.07 0.52 -2.27 0.00 0.00 179.45 177.68 3bg1 h MET 257 N 0.06 0.00 0.01 1.90 2.86 -1.57 -2.11 114.93 116.09 3bg1 h MET 257 Ca 0.42 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.81 3bg1 h MET 257 Cb 0.72 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 3bg1 h MET 257 CO -0.73 0.07 -1.30 0.00 1.06 0.00 0.00 176.91 176.00 3bg1 h ALA 258 N 1.93 0.48 0.31 6.32 0.00 0.88 -2.99 119.26 126.20 3bg1 h ALA 258 Ca -0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 54.91 53.77 3bg1 h ALA 258 Cb 0.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3bg1 h ALA 258 CO 0.01 1.35 -0.15 -0.07 0.00 0.00 0.00 179.25 180.39 3bg1 h LEU 259 N 0.01 -0.36 -0.97 0.00 3.38 -0.02 -1.90 115.31 115.45 3bg1 h LEU 259 Ca -0.13 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.13 3bg1 h LEU 259 Cb 1.88 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 42.59 3bg1 h LEU 259 CO 0.12 -0.18 0.50 -0.07 0.09 0.00 0.00 178.44 178.90 3bg1 h LEU 260 N -0.56 0.45 -0.51 1.67 3.38 -1.61 1.25 115.31 119.38 3bg1 h LEU 260 Ca -0.04 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.20 3bg1 h LEU 260 Cb 0.32 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 3bg1 h LEU 260 CO 0.07 -0.07 -0.11 0.50 0.09 0.00 0.00 178.44 178.92 3bg1 h LYS 261 N 0.37 0.01 0.03 1.13 1.63 -1.38 -1.48 116.57 116.89 3bg1 h LYS 261 Ca 0.67 -0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.38 3bg1 h LYS 261 Cb 1.41 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.05 3bg1 h LYS 261 CO -0.58 0.01 -0.34 -0.22 -3.45 0.00 0.00 179.45 174.88 3bg1 h LYS 262 N 0.01 0.17 -0.81 1.90 3.64 0.20 -3.10 116.57 118.57 3bg1 h LYS 262 Ca 0.25 -0.23 0.19 0.00 -1.27 0.00 0.00 60.65 59.59 3bg1 h LYS 262 Cb 0.38 0.08 -0.15 0.00 -0.41 0.00 0.00 32.23 32.13 3bg1 h LYS 262 CO -0.51 1.03 -0.04 1.49 -2.27 0.00 0.00 179.45 179.15 3bg1 h GLU 263 N -0.59 0.06 -0.22 1.90 4.81 0.71 2.98 114.58 124.23 3bg1 h GLU 263 Ca -0.05 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3bg1 h GLU 263 Cb 1.17 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3bg1 h GLU 263 CO 0.06 0.04 0.03 -0.09 -0.73 0.00 0.00 179.01 178.33 3bg1 h ARG 264 N 0.07 0.32 0.74 1.92 2.43 -1.36 -1.96 114.38 116.53 3bg1 h ARG 264 Ca 0.44 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.53 3bg1 h ARG 264 Cb 0.78 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3bg1 h ARG 264 CO -0.75 0.32 -0.36 1.25 -1.51 0.00 0.00 179.97 178.92 3bg1 h HIS 265 N 0.31 -0.92 0.23 2.20 2.76 0.54 -2.65 115.15 117.62 3bg1 h HIS 265 Ca 0.08 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3bg1 h HIS 265 Cb 0.16 0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 3bg1 h HIS 265 CO 0.00 -0.57 -0.45 0.00 -1.30 0.00 0.00 177.93 175.61 3bg1 n ARG 267 N -5.05 -0.05 -0.03 0.00 5.12 -0.74 0.11 116.66 116.02 3bg1 n ARG 267 Ca -0.08 0.86 -0.12 0.00 -1.93 0.00 0.00 57.85 56.58 3bg1 n ARG 267 Cb 0.37 -1.38 -0.10 0.00 -1.16 0.00 0.00 32.46 30.19 3bg1 n ARG 267 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3bg1 h LEU 268 N 0.00 -0.03 -0.51 0.55 6.46 -0.93 -2.86 115.31 117.98 3bg1 h LEU 268 Ca 0.36 -0.69 0.02 0.00 -0.12 0.00 0.00 57.88 57.45 3bg1 h LEU 268 Cb 0.75 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.66 3bg1 h LEU 268 CO -0.54 0.74 0.31 0.71 -0.62 0.00 0.00 178.44 179.04 3bg1 h THR 269 N -0.87 1.06 -0.85 1.05 1.35 0.53 -0.14 112.91 115.03 3bg1 h THR 269 Ca -0.00 -0.21 0.25 0.00 -0.55 0.00 0.00 66.41 65.89 3bg1 h THR 269 Cb 0.72 0.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 3bg1 h THR 269 CO 0.01 0.11 0.62 0.28 -0.25 0.00 0.00 175.52 176.29 3bg1 h SER 270 N 0.61 0.00 0.30 5.36 0.02 0.66 0.30 113.55 120.80 3bg1 h SER 270 Ca 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3bg1 h SER 270 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3bg1 h SER 270 CO -0.09 0.00 -0.14 -0.25 -1.14 0.00 0.00 176.83 175.21 3bg1 h TRP 271 N 0.00 -0.37 -0.97 3.45 7.01 -0.80 -3.23 115.95 121.03 3bg1 h TRP 271 Ca 0.40 -0.01 0.28 0.00 2.11 0.00 0.00 58.89 61.68 3bg1 h TRP 271 Cb 1.65 0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 28.79 3bg1 h TRP 271 CO 0.00 -0.23 0.73 0.82 -2.79 0.00 0.00 178.44 176.97 3bg1 h ILE 272 N -0.97 0.47 -0.58 2.65 2.04 -0.59 0.93 117.51 121.45 3bg1 h ILE 272 Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3bg1 h ILE 272 Cb 0.31 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3bg1 h ILE 272 CO 0.07 0.00 0.30 0.58 0.00 0.00 0.00 178.15 179.09 3bg1 h VAL 273 N 0.00 1.19 0.00 1.67 2.07 -1.01 0.50 116.25 120.67 3bg1 h VAL 273 Ca 0.46 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 3bg1 h VAL 273 Cb 1.91 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3bg1 h VAL 273 CO -0.00 0.21 -0.57 0.28 0.02 0.00 0.00 177.57 177.51 3bg1 h SER 274 N 0.82 0.00 1.47 0.57 0.02 0.85 -1.61 113.55 115.67 3bg1 h SER 274 Ca 0.21 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 3bg1 h SER 274 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3bg1 h SER 274 CO -0.03 0.57 -0.42 1.56 -1.14 0.00 0.00 176.83 177.38 3bg1 h GLN 275 N 0.00 0.00 -0.20 3.45 1.08 -0.60 -3.18 115.11 115.65 3bg1 h GLN 275 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3bg1 h GLN 275 Cb 1.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 3bg1 h GLN 275 CO 0.07 0.42 0.00 -0.89 -0.95 0.00 0.00 178.83 177.48 3bg1 n ILE 276 N -3.24 0.37 0.21 2.54 5.41 0.07 -4.61 119.36 120.11 3bg1 n ILE 276 Ca 0.02 -0.68 -0.11 0.00 1.00 0.00 0.00 62.75 62.97 3bg1 n ILE 276 Cb 0.68 1.03 -0.06 0.00 -0.71 0.00 0.00 39.64 40.58 3bg1 n ILE 276 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3bg1 h GLY 277 N 3.15 -0.98 0.43 7.39 0.00 -1.27 -0.12 103.07 111.67 3bg1 h GLY 277 Ca 0.00 0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.81 3bg1 h GLY 277 CO 0.00 -0.32 -0.13 -0.56 0.00 0.00 0.00 176.54 175.53 3bg1 h PRO 278 N -0.66 -0.13 -0.65 4.80 0.13 -1.82 -0.94 132.00 132.75 3bg1 h PRO 278 Ca -0.05 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.19 3bg1 h PRO 278 Cb 0.55 0.03 -0.11 0.00 0.13 0.00 0.00 31.00 31.59 3bg1 h PRO 278 CO 0.01 -0.08 -0.41 1.49 -0.23 0.00 0.00 178.00 178.77 3bg1 h GLU 279 N -0.13 -0.17 0.00 0.86 4.81 -1.78 -2.15 114.58 116.02 3bg1 h GLU 279 Ca 0.11 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3bg1 h GLU 279 Cb 0.30 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3bg1 h GLU 279 CO -0.27 -0.11 -0.04 0.82 -0.73 0.00 0.00 179.01 178.68 3bg1 h ILE 280 N -0.18 0.65 -0.80 2.32 1.08 -0.93 -3.06 117.51 116.59 3bg1 h ILE 280 Ca 0.21 -1.50 0.11 0.00 -0.39 0.00 0.00 64.86 63.29 3bg1 h ILE 280 Cb 0.56 1.23 -0.12 0.00 -3.07 0.00 0.00 36.82 35.42 3bg1 h ILE 280 CO -0.73 0.22 -0.36 -0.62 -0.69 0.00 0.00 178.15 175.97 3bg1 n GLU 281 N -4.71 -0.24 -0.22 2.37 1.02 -0.37 0.12 120.64 118.61 3bg1 n GLU 281 Ca -0.04 1.22 -0.08 0.00 -0.02 0.00 0.00 57.16 58.24 3bg1 n GLU 281 Cb 0.19 -1.81 0.03 0.00 -0.02 0.00 0.00 31.44 29.83 3bg1 n GLU 281 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3bg1 h GLU 282 N 0.00 1.05 0.00 3.49 4.81 -1.55 -2.13 114.58 120.25 3bg1 h GLU 282 Ca 0.23 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3bg1 h GLU 282 Cb 0.43 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3bg1 h GLU 282 CO -0.78 0.98 0.00 1.17 -0.73 0.00 0.00 179.01 179.65 3bg1 n LYS 283 N -4.26 0.09 -0.02 1.92 4.81 0.32 -1.30 118.16 119.73 3bg1 n LYS 283 Ca 0.04 0.21 -0.13 0.00 -0.87 0.00 0.00 58.31 57.56 3bg1 n LYS 283 Cb 0.29 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.70 3bg1 n LYS 283 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3bg1 n ILE 284 N -1.26 1.66 0.10 3.15 5.41 -0.48 -3.80 119.36 124.14 3bg1 n ILE 284 Ca 0.03 -0.75 0.19 0.00 1.00 0.00 0.00 62.75 63.22 3bg1 n ILE 284 Cb 0.04 -1.26 0.75 0.00 -0.71 0.00 0.00 39.64 38.46 3bg1 n ILE 284 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3bg1 h ARG 285 N 0.02 0.00 -0.08 0.38 3.08 -1.22 -1.68 114.38 114.88 3bg1 h ARG 285 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3bg1 h ARG 285 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.08 3bg1 h ARG 285 CO 0.08 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.07 3bg1 n ASN 286 N -4.00 0.08 -4.22 7.04 4.13 -1.25 -4.88 115.26 112.17 3bg1 n ASN 286 Ca 0.06 -1.75 -0.32 0.00 1.68 0.00 0.00 54.58 54.26 3bg1 n ASN 286 Cb 0.51 -0.04 -0.17 0.00 -1.54 0.00 0.00 39.78 38.54 3bg1 n ASN 286 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3bg1 s SER 287 N -1.03 3.06 0.16 6.41 1.04 -0.64 -4.90 113.70 117.81 3bg1 s SER 287 Ca 0.00 -0.55 0.11 0.00 0.48 0.00 0.00 55.95 55.99 3bg1 s SER 287 Cb 0.00 -1.40 -0.11 0.00 0.10 0.00 0.00 66.02 64.62 3bg1 s SER 287 CO 0.00 0.16 1.25 -1.28 0.98 0.00 0.00 173.24 174.35 3bg1 h SER 288 N 6.72 0.00 -3.41 7.02 0.87 -1.90 -3.44 113.55 119.41 3bg1 h SER 288 Ca -0.19 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.77 3bg1 h SER 288 Cb 1.24 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.10 3bg1 h SER 288 CO 0.47 0.78 0.50 0.20 -0.53 0.00 0.00 176.83 178.25 3bg1 s ASN 289 N -6.49 6.72 0.18 6.23 0.01 -1.26 -4.95 114.94 115.39 3bg1 s ASN 289 Ca 0.01 0.73 -0.04 0.00 -0.71 0.00 0.00 52.86 52.86 3bg1 s ASN 289 Cb 0.09 -2.44 0.09 0.00 0.41 0.00 0.00 41.25 39.40 3bg1 s ASN 289 CO 0.79 -0.68 1.49 -0.33 -1.51 0.00 0.00 177.10 176.87 3bg1 h GLU 290 N 8.13 0.58 -0.80 -0.60 5.08 -1.99 -2.18 114.58 122.79 3bg1 h GLU 290 Ca -0.23 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 57.74 3bg1 h GLU 290 Cb 1.09 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 3bg1 h GLU 290 CO 0.92 0.98 0.43 0.82 -1.00 0.00 0.00 179.01 181.16 3bg1 h ILE 291 N 0.44 1.24 -0.44 3.13 2.04 -1.98 0.99 117.51 122.94 3bg1 h ILE 291 Ca 0.01 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 3bg1 h ILE 291 Cb 1.11 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3bg1 h ILE 291 CO 0.11 0.27 -0.04 -0.08 0.00 0.00 0.00 178.15 178.41 3bg1 h GLU 292 N 1.12 0.74 -0.76 2.37 4.81 -1.93 -2.14 114.58 118.80 3bg1 h GLU 292 Ca 0.28 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3bg1 h GLU 292 Cb 0.05 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 3bg1 h GLU 292 CO -0.04 0.78 0.47 1.96 -0.73 0.00 0.00 179.01 181.44 3bg1 h GLN 293 N 0.69 0.88 0.54 1.92 4.20 -0.31 -2.17 115.11 120.85 3bg1 h GLN 293 Ca 0.13 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3bg1 h GLN 293 Cb 0.48 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.07 3bg1 h GLN 293 CO 0.02 0.58 -0.26 0.82 -0.67 0.00 0.00 178.83 179.32 3bg1 h ILE 294 N 0.90 0.44 -1.19 2.54 2.04 -0.27 -2.13 117.51 119.85 3bg1 h ILE 294 Ca 0.31 -0.17 0.34 0.00 1.00 0.00 0.00 64.86 66.35 3bg1 h ILE 294 Cb 0.06 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 3bg1 h ILE 294 CO -0.13 0.03 0.82 0.15 0.00 0.00 0.00 178.15 179.02 3bg1 h PHE 295 N -0.83 0.30 -0.24 1.37 3.57 -1.25 0.31 116.94 120.16 3bg1 h PHE 295 Ca -0.07 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 3bg1 h PHE 295 Cb 0.60 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3bg1 h PHE 295 CO -0.02 -0.00 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.74 3bg1 h LEU 296 N 0.15 0.64 -1.83 0.59 3.38 -0.82 -2.46 115.31 114.96 3bg1 h LEU 296 Ca 0.63 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3bg1 h LEU 296 Cb 2.12 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.68 3bg1 h LEU 296 CO -0.16 0.99 -0.10 1.88 0.09 0.00 0.00 178.44 181.14 3bg1 h TYR 297 N 0.30 0.00 -0.27 1.13 -1.99 0.21 -1.12 116.97 115.24 3bg1 h TYR 297 Ca 0.04 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.71 3bg1 h TYR 297 Cb 0.81 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 3bg1 h TYR 297 CO 0.08 0.10 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.20 3bg1 h LEU 298 N 0.00 0.53 -1.00 3.88 3.38 -1.19 0.04 115.31 120.94 3bg1 h LEU 298 Ca -0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3bg1 h LEU 298 Cb 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3bg1 h LEU 298 CO 0.01 0.77 0.27 -0.07 0.09 0.00 0.00 178.44 179.51 3bg1 h LEU 299 N 0.27 0.00 -2.96 1.67 3.38 -0.72 1.93 115.31 118.88 3bg1 h LEU 299 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3bg1 h LEU 299 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3bg1 h LEU 299 CO 0.03 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.74 3bg1 n LEU 300 N -2.12 3.34 -2.01 1.67 4.77 -0.82 -4.91 117.00 116.92 3bg1 n LEU 300 Ca -0.01 -2.21 -0.19 0.00 -0.03 0.00 0.00 56.01 53.57 3bg1 n LEU 300 Cb 0.29 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3bg1 n LEU 300 CO 0.07 0.75 -0.23 -3.20 -1.33 0.00 0.00 177.39 173.45 3bg1 n ASN 301 N 0.49 -5.51 -4.25 -1.43 5.15 0.65 -4.91 115.26 105.45 3bg1 n ASN 301 Ca 0.16 0.13 -0.43 0.00 -0.60 0.00 0.00 54.58 53.83 3bg1 n ASN 301 Cb 0.56 -4.60 -0.06 0.00 -0.53 0.00 0.00 39.78 35.15 3bg1 n ASN 301 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3bg1 s ASP 302 N -2.32 6.12 -0.02 1.20 -1.08 -0.06 -4.87 116.67 115.63 3bg1 s ASP 302 Ca 0.00 -2.35 -0.22 0.00 -0.52 0.00 0.00 52.55 49.46 3bg1 s ASP 302 Cb 0.00 -2.10 -0.24 0.00 -1.46 0.00 0.00 42.92 39.12 3bg1 s ASP 302 CO 0.00 -0.62 1.05 0.58 0.52 0.00 0.00 175.17 176.70 3bg1 h VAL 303 N 5.42 1.49 -0.40 1.11 2.07 -1.91 -2.56 116.25 121.47 3bg1 h VAL 303 Ca -0.07 -2.05 0.08 0.00 0.82 0.00 0.00 66.70 65.47 3bg1 h VAL 303 Cb 1.04 2.71 -0.09 0.00 -1.52 0.00 0.00 31.29 33.44 3bg1 h VAL 303 CO 0.83 0.58 -0.30 0.58 0.02 0.00 0.00 177.57 179.29 3bg1 h VAL 304 N -0.30 0.27 -0.03 2.57 2.07 -1.96 0.37 116.25 119.23 3bg1 h VAL 304 Ca -0.06 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.29 3bg1 h VAL 304 Cb 1.20 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3bg1 h VAL 304 CO 0.09 0.00 -0.76 0.03 0.02 0.00 0.00 177.57 176.95 3bg1 h ARG 305 N -0.23 0.23 -0.54 1.57 3.08 -1.97 -2.03 114.38 114.48 3bg1 h ARG 305 Ca 0.18 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3bg1 h ARG 305 Cb 0.52 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3bg1 h ARG 305 CO -0.53 0.88 0.28 0.00 -1.07 0.00 0.00 179.97 179.53 3bg1 h ALA 306 N 1.06 1.46 0.26 0.04 0.00 -0.83 -1.88 119.26 119.36 3bg1 h ALA 306 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3bg1 h ALA 306 Cb 1.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3bg1 h ALA 306 CO 0.12 0.43 -0.12 1.03 0.00 0.00 0.00 179.25 180.71 3bg1 h SER 307 N 0.76 -0.29 -0.78 0.00 0.87 -0.21 -2.85 113.55 111.04 3bg1 h SER 307 Ca 0.19 -0.22 0.13 0.00 -1.23 0.00 0.00 61.79 60.66 3bg1 h SER 307 Cb 0.06 0.08 -0.14 0.00 -0.44 0.00 0.00 62.40 61.95 3bg1 h SER 307 CO -0.03 0.19 -0.34 0.11 -0.53 0.00 0.00 176.83 176.23 3bg1 h LYS 308 N -0.92 -0.08 -0.59 2.24 1.57 -1.18 0.43 116.57 118.04 3bg1 h LYS 308 Ca -0.04 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 3bg1 h LYS 308 Cb 0.50 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.75 3bg1 h LYS 308 CO 0.06 -0.05 0.19 1.25 -0.57 0.00 0.00 179.45 180.33 3bg1 h LEU 309 N -0.08 0.16 -0.44 2.94 5.85 -1.41 -1.20 115.31 121.11 3bg1 h LEU 309 Ca 0.30 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.18 3bg1 h LEU 309 Cb 0.58 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 3bg1 h LEU 309 CO -0.82 0.10 0.01 0.00 -0.34 0.00 0.00 178.44 177.38 3bg1 h ALA 310 N 1.42 0.42 -0.17 1.25 0.00 0.09 -1.79 119.26 120.48 3bg1 h ALA 310 Ca 0.30 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 3bg1 h ALA 310 Cb 0.38 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3bg1 h ALA 310 CO -0.32 -0.38 -0.06 0.82 0.00 0.00 0.00 179.25 179.31 3bg1 h ILE 311 N 0.12 1.30 0.00 0.00 2.04 -0.92 -1.44 117.51 118.61 3bg1 h ILE 311 Ca 0.22 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3bg1 h ILE 311 Cb 0.32 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3bg1 h ILE 311 CO -0.36 0.31 0.00 1.21 0.00 0.00 0.00 178.15 179.31 3bg1 n GLU 312 N -4.65 0.03 -0.16 2.37 2.13 -0.50 -1.55 120.64 118.32 3bg1 n GLU 312 Ca -0.05 0.46 0.08 0.00 0.66 0.00 0.00 57.16 58.30 3bg1 n GLU 312 Cb 0.28 -1.59 0.16 0.00 0.27 0.00 0.00 31.44 30.57 3bg1 n GLU 312 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3bg1 n SER 313 N -1.65 2.94 -2.41 4.31 3.41 -0.72 -4.95 113.62 114.55 3bg1 n SER 313 Ca 0.01 -1.88 -0.13 0.00 -0.26 0.00 0.00 58.87 56.61 3bg1 n SER 313 Cb 0.06 -0.21 0.05 0.00 -0.26 0.00 0.00 64.21 63.85 3bg1 n SER 313 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3bg1 n LYS 314 N 0.90 -4.48 -2.64 4.33 3.00 -0.60 -4.94 118.16 113.73 3bg1 n LYS 314 Ca 0.14 0.51 -0.10 0.00 -0.00 0.00 0.00 58.31 58.85 3bg1 n LYS 314 Cb 0.46 -4.54 0.03 0.00 0.00 0.00 0.00 35.03 30.98 3bg1 n LYS 314 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3bg1 n ASN 315 N -1.67 2.11 -0.09 3.14 3.02 -0.55 -4.99 115.26 116.23 3bg1 n ASN 315 Ca -0.07 -2.75 -0.06 0.00 -0.03 0.00 0.00 54.58 51.67 3bg1 n ASN 315 Cb 0.56 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 39.24 3bg1 n ASN 315 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3bg1 h GLY 316 N 2.81 0.37 -1.58 7.41 0.00 -1.82 -3.08 103.07 107.18 3bg1 h GLY 316 Ca -0.03 -0.03 0.51 0.00 0.00 0.00 0.00 47.33 47.79 3bg1 h GLY 316 CO 0.49 -0.01 1.06 -2.39 0.00 0.00 0.00 176.54 175.69 3bg1 n HIS 317 N -5.08 0.47 -0.07 5.60 1.44 -1.26 0.15 115.22 116.47 3bg1 n HIS 317 Ca 0.01 0.48 -0.11 0.00 -2.01 0.00 0.00 57.72 56.08 3bg1 n HIS 317 Cb 0.14 -0.94 -0.04 0.00 0.12 0.00 0.00 29.99 29.27 3bg1 n HIS 317 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3bg1 h LEU 318 N 0.00 0.36 -1.80 2.39 3.38 -1.92 -2.06 115.31 115.67 3bg1 h LEU 318 Ca 0.90 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.71 3bg1 h LEU 318 Cb 3.15 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 43.79 3bg1 h LEU 318 CO -0.32 0.53 0.51 -1.28 0.09 0.00 0.00 178.44 177.97 3bg1 h SER 319 N 0.18 0.00 0.11 -0.43 0.87 0.12 0.42 113.55 114.82 3bg1 h SER 319 Ca 0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 3bg1 h SER 319 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3bg1 h SER 319 CO 0.00 0.00 -0.05 0.58 -0.53 0.00 0.00 176.83 176.83 3bg1 h VAL 320 N 0.00 0.62 0.08 2.23 2.07 -1.23 -2.77 116.25 117.24 3bg1 h VAL 320 Ca 0.16 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.45 3bg1 h VAL 320 Cb 1.18 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3bg1 h VAL 320 CO -0.00 0.19 -0.21 -0.07 0.02 0.00 0.00 177.57 177.49 3bg1 h LEU 321 N -0.98 -0.60 -1.56 2.57 3.38 -0.77 0.18 115.31 117.52 3bg1 h LEU 321 Ca -0.02 0.08 0.40 0.00 0.09 0.00 0.00 57.88 58.43 3bg1 h LEU 321 Cb 0.42 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 3bg1 h LEU 321 CO 0.02 -0.29 0.89 0.40 0.09 0.00 0.00 178.44 179.55 3bg1 h ILE 322 N -0.38 0.24 -0.20 1.22 2.04 -0.38 1.33 117.51 121.38 3bg1 h ILE 322 Ca 0.04 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3bg1 h ILE 322 Cb 0.42 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3bg1 h ILE 322 CO -0.14 0.02 0.09 -1.28 0.00 0.00 0.00 178.15 176.84 3bg1 h SER 323 N 0.13 0.26 0.18 1.72 0.87 -0.36 -3.03 113.55 113.32 3bg1 h SER 323 Ca 0.75 -0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 61.04 3bg1 h SER 323 Cb 2.45 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 64.34 3bg1 h SER 323 CO -0.28 0.31 -0.54 1.88 -0.53 0.00 0.00 176.83 177.67 3bg1 h TYR 324 N 0.19 0.48 -0.82 2.24 0.99 0.20 -3.34 116.97 116.91 3bg1 h TYR 324 Ca 0.07 -0.17 0.16 0.00 2.00 0.00 0.00 58.73 60.79 3bg1 h TYR 324 Cb 0.12 -0.09 -0.15 0.00 1.00 0.00 0.00 36.73 37.60 3bg1 h TYR 324 CO -0.02 0.84 -0.22 -0.11 -0.00 0.00 0.00 178.16 178.65 3bg1 n LEU 325 N -3.94 -0.33 0.30 3.88 7.94 0.97 0.57 117.00 126.39 3bg1 n LEU 325 Ca -0.02 1.42 0.16 0.00 -1.11 0.00 0.00 56.01 56.46 3bg1 n LEU 325 Cb 0.58 -0.42 0.96 0.00 0.53 0.00 0.00 43.42 45.08 3bg1 n LEU 325 CO 0.45 -1.35 1.14 1.23 -1.11 0.00 0.00 177.39 177.75 3bg1 h GLY 326 N 0.00 0.00 0.00 -3.96 0.00 -1.70 -3.44 103.07 93.97 3bg1 h GLY 326 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3bg1 h GLY 326 CO -0.84 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.14 3bg1 n SER 327 N -3.74 0.00 -3.52 0.19 7.64 0.19 -5.09 113.62 109.29 3bg1 n SER 327 Ca -0.03 -0.45 -0.29 0.00 1.01 0.00 0.00 58.87 59.12 3bg1 n SER 327 Cb 0.08 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.16 3bg1 n SER 327 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3bg1 s ASN 328 N -1.00 2.81 -0.22 6.43 3.84 -1.26 -5.06 114.94 120.47 3bg1 s ASN 328 Ca 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 52.86 50.48 3bg1 s ASN 328 Cb 0.00 -0.62 0.04 0.00 -0.55 0.00 0.00 41.25 40.12 3bg1 s ASN 328 CO 0.00 -0.25 -0.15 -0.62 -2.79 0.00 0.00 177.10 173.29 3bg1 s ASP 329 N 0.50 3.81 0.35 -4.21 -1.08 -1.26 -5.01 116.67 109.78 3bg1 s ASP 329 Ca 0.22 -1.02 0.06 0.00 -0.52 0.00 0.00 52.55 51.29 3bg1 s ASP 329 Cb -0.15 -1.52 0.75 0.00 -1.46 0.00 0.00 42.92 40.54 3bg1 s ASP 329 CO -0.06 -0.10 1.92 1.55 0.52 0.00 0.00 175.17 179.01 3bg1 h PRO 330 N 7.86 0.74 -0.25 4.34 0.13 -1.98 -1.83 132.00 141.00 3bg1 h PRO 330 Ca -0.32 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.79 3bg1 h PRO 330 Cb 1.09 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 3bg1 h PRO 330 CO 0.55 0.49 -0.28 0.00 -0.23 0.00 0.00 178.00 178.53 3bg1 h ARG 331 N 0.76 -0.15 0.13 0.86 3.08 -1.99 0.16 114.38 117.22 3bg1 h ARG 331 Ca 0.37 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3bg1 h ARG 331 Cb 0.41 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3bg1 h ARG 331 CO -0.14 -0.10 -0.28 0.82 -1.07 0.00 0.00 179.97 179.20 3bg1 h ILE 332 N -0.16 0.00 -0.51 2.04 5.03 -1.90 0.15 117.51 122.17 3bg1 h ILE 332 Ca 0.04 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.83 3bg1 h ILE 332 Cb 0.27 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.00 3bg1 h ILE 332 CO -0.32 0.00 -0.30 -1.14 -0.68 0.00 0.00 178.15 175.71 3bg1 n ARG 333 N -4.03 -0.22 -0.08 2.37 0.63 -0.72 0.10 116.66 114.71 3bg1 n ARG 333 Ca -0.05 0.86 -0.10 0.00 -0.92 0.00 0.00 57.85 57.65 3bg1 n ARG 333 Cb 0.23 -1.27 -0.02 0.00 0.45 0.00 0.00 32.46 31.84 3bg1 n ARG 333 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3bg1 h ASP 334 N 0.00 0.34 -0.98 6.15 3.32 -0.43 -1.46 116.42 123.36 3bg1 h ASP 334 Ca 0.08 -0.08 0.24 0.00 0.02 0.00 0.00 57.03 57.29 3bg1 h ASP 334 Cb 0.21 -0.09 -0.12 0.00 0.22 0.00 0.00 39.33 39.55 3bg1 h ASP 334 CO -0.48 0.33 0.55 0.25 -1.72 0.00 0.00 179.24 178.17 3bg1 h LEU 335 N 0.33 0.60 0.00 1.55 5.85 0.37 0.58 115.31 124.59 3bg1 h LEU 335 Ca 0.10 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3bg1 h LEU 335 Cb 0.06 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3bg1 h LEU 335 CO -0.02 0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.16 3bg1 n ALA 336 N -2.35 -0.36 -0.11 1.25 0.00 0.14 -2.27 120.51 116.82 3bg1 n ALA 336 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.64 3bg1 n ALA 336 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 3bg1 n ALA 336 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3bg1 h GLU 337 N 0.00 -0.17 -0.85 0.00 4.81 -0.89 0.17 114.58 117.64 3bg1 h GLU 337 Ca 0.00 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.44 3bg1 h GLU 337 Cb 0.00 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 3bg1 h GLU 337 CO 0.00 -0.11 0.57 -0.07 -0.73 0.00 0.00 179.01 178.67 3bg1 h LEU 338 N -0.18 0.33 0.20 1.64 -0.00 0.04 -0.12 115.31 117.22 3bg1 h LEU 338 Ca 0.18 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 3bg1 h LEU 338 Cb 0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 3bg1 h LEU 338 CO -0.48 0.14 -0.10 1.56 -0.00 0.00 0.00 178.44 179.56 3bg1 h GLN 339 N 0.33 -0.26 -0.92 1.13 4.20 -0.34 -3.23 115.11 116.02 3bg1 h GLN 339 Ca 0.43 0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.31 3bg1 h GLN 339 Cb 1.18 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 28.86 3bg1 h GLN 339 CO -0.13 0.13 -0.33 1.28 -0.67 0.00 0.00 178.83 179.11 3bg1 n LEU 340 N -4.97 -0.54 -0.25 1.46 7.99 0.14 0.13 117.00 120.96 3bg1 n LEU 340 Ca -0.08 1.60 0.04 0.00 -0.01 0.00 0.00 56.01 57.56 3bg1 n LEU 340 Cb 0.26 -0.39 0.17 0.00 -0.11 0.00 0.00 43.42 43.35 3bg1 n LEU 340 CO 0.25 -1.45 1.02 1.56 -1.51 0.00 0.00 177.39 177.26 3bg1 h GLN 341 N 0.00 0.46 -0.77 3.23 4.20 -1.37 -0.77 115.11 120.08 3bg1 h GLN 341 Ca 0.34 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 3bg1 h GLN 341 Cb 0.57 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 3bg1 h GLN 341 CO -0.92 0.30 0.37 -0.22 -0.67 0.00 0.00 178.83 177.69 3bg1 h LYS 342 N 0.47 1.11 0.00 1.46 3.64 -0.33 -2.85 116.57 120.07 3bg1 h LYS 342 Ca 0.39 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3bg1 h LYS 342 Cb 0.54 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3bg1 h LYS 342 CO -0.36 0.86 0.00 0.91 -2.27 0.00 0.00 179.45 178.59 3bg1 n TRP 343 N -4.38 0.00 1.17 1.91 7.02 -0.30 -1.67 117.44 121.20 3bg1 n TRP 343 Ca 0.07 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.67 3bg1 n TRP 343 Cb 0.14 -0.31 0.24 0.00 -2.42 0.00 0.00 31.31 28.95 3bg1 n TRP 343 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3bg1 n SER 344 N -1.31 1.77 -4.38 -0.99 3.41 -1.08 -4.47 113.62 106.56 3bg1 n SER 344 Ca 0.00 -1.39 -0.43 0.00 -0.26 0.00 0.00 58.87 56.80 3bg1 n SER 344 Cb 0.01 0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 3bg1 n SER 344 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3bg1 s THR 345 N -2.32 4.94 -0.16 6.66 2.01 -0.67 -4.78 115.64 121.32 3bg1 s THR 345 Ca 0.26 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 3bg1 s THR 345 Cb 0.19 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.86 3bg1 s THR 345 CO 0.47 -0.42 0.05 0.61 -0.69 0.00 0.00 174.62 174.63 3bg1 n GLY 346 N 5.10 -0.36 2.80 4.40 0.00 -1.26 -4.84 105.19 111.02 3bg1 n GLY 346 Ca -0.12 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3bg1 n GLY 346 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bg1 s GLY 347 N -1.61 2.25 0.00 -0.02 0.00 -1.26 -5.09 107.32 101.58 3bg1 s GLY 347 Ca 0.07 -3.18 0.00 0.00 0.00 0.00 0.00 44.72 41.61 3bg1 s GLY 347 CO 0.09 1.32 0.00 0.00 0.00 0.00 0.00 173.10 174.51 3bg1 n SER 349 N -1.20 -4.38 -4.70 0.00 2.88 -1.26 -5.01 113.62 99.95 3bg1 n SER 349 Ca 0.00 0.09 -0.35 0.00 -1.33 0.00 0.00 58.87 57.28 3bg1 n SER 349 Cb 0.00 -3.42 -0.09 0.00 -0.75 0.00 0.00 64.21 59.95 3bg1 n SER 349 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3bg1 s ILE 350 N -2.64 4.72 0.43 2.46 1.01 -1.26 -5.08 121.20 120.84 3bg1 s ILE 350 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.31 3bg1 s ILE 350 Cb 0.00 -3.05 -0.09 0.00 0.01 0.00 0.00 42.46 39.33 3bg1 s ILE 350 CO 0.00 0.55 1.39 -1.81 0.00 0.00 0.00 174.94 175.07 3bg1 s ASP 351 N -0.42 6.04 0.55 3.58 1.01 -1.26 -4.82 116.67 121.35 3bg1 s ASP 351 Ca 0.09 2.84 0.33 0.00 0.71 0.00 0.00 52.55 56.53 3bg1 s ASP 351 Cb -0.12 -2.65 1.50 0.00 1.01 0.00 0.00 42.92 42.66 3bg1 s ASP 351 CO 0.02 -1.05 2.04 0.11 0.21 0.00 0.00 175.17 176.50 3bg1 h LYS 352 N 2.48 0.00 0.10 8.23 1.57 -1.99 -2.42 116.57 124.54 3bg1 h LYS 352 Ca -0.50 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.05 3bg1 h LYS 352 Cb 1.26 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.59 3bg1 h LYS 352 CO 0.62 0.05 -0.93 -0.91 -0.57 0.00 0.00 179.45 177.70 3bg1 h ASN 353 N 0.00 0.65 -0.37 0.86 2.35 -1.93 0.36 115.58 117.50 3bg1 h ASN 353 Ca -0.00 -0.85 -0.06 0.00 -0.55 0.00 0.00 56.30 54.85 3bg1 h ASN 353 Cb 0.44 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3bg1 h ASN 353 CO 0.01 1.43 0.05 0.40 -1.65 0.00 0.00 177.43 177.67 3bg1 h ILE 354 N -0.04 1.22 0.60 2.81 2.04 -1.81 -1.85 117.51 120.48 3bg1 h ILE 354 Ca -0.14 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 3bg1 h ILE 354 Cb 1.66 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 38.57 3bg1 h ILE 354 CO 0.18 0.31 -0.29 0.77 0.00 0.00 0.00 178.15 179.12 3bg1 h SER 355 N 0.68 -0.68 -1.27 1.72 4.64 -1.45 -2.55 113.55 114.65 3bg1 h SER 355 Ca 0.14 0.02 0.44 0.00 -0.47 0.00 0.00 61.79 61.93 3bg1 h SER 355 Cb 0.35 0.18 -0.14 0.00 -0.31 0.00 0.00 62.40 62.47 3bg1 h SER 355 CO 0.01 -0.35 0.79 0.11 -0.87 0.00 0.00 176.83 176.52 3bg1 h LYS 356 N -1.08 0.05 -0.04 4.77 1.57 -0.78 0.24 116.57 121.30 3bg1 h LYS 356 Ca -0.08 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3bg1 h LYS 356 Cb 0.61 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 3bg1 h LYS 356 CO 0.13 0.03 -0.05 0.82 -0.57 0.00 0.00 179.45 179.82 3bg1 h ILE 357 N 0.05 1.38 -0.68 1.86 2.04 -1.24 -2.37 117.51 118.54 3bg1 h ILE 357 Ca 0.85 -1.22 0.05 0.00 1.00 0.00 0.00 64.86 65.54 3bg1 h ILE 357 Cb 2.58 2.11 -0.04 0.00 -0.74 0.00 0.00 36.82 40.72 3bg1 h ILE 357 CO -0.52 0.33 0.45 1.88 0.00 0.00 0.00 178.15 180.29 3bg1 h TYR 358 N -0.35 0.75 -0.97 1.37 -1.99 -0.16 0.16 116.97 115.77 3bg1 h TYR 358 Ca 0.01 0.02 0.10 0.00 2.00 0.00 0.00 58.73 60.86 3bg1 h TYR 358 Cb 0.56 -0.25 -0.08 0.00 2.00 0.00 0.00 36.73 38.97 3bg1 h TYR 358 CO 0.10 0.42 0.62 -0.22 -0.00 0.00 0.00 178.16 179.07 3bg1 h LYS 359 N 0.76 0.96 0.00 4.88 1.63 -0.90 0.53 116.57 124.42 3bg1 h LYS 359 Ca 0.28 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3bg1 h LYS 359 Cb 0.16 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 3bg1 h LYS 359 CO -0.08 0.63 0.00 1.28 -3.45 0.00 0.00 179.45 177.83 3bg1 n LEU 360 N -4.57 0.08 -0.07 5.20 4.77 0.54 -2.20 117.00 120.76 3bg1 n LEU 360 Ca 0.17 0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 56.50 3bg1 n LEU 360 Cb 0.32 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.75 3bg1 n LEU 360 CO 0.29 -0.41 -1.05 0.18 -1.33 0.00 0.00 177.39 175.07 3bg1 n LEU 361 N -1.59 2.40 -0.37 2.23 4.77 0.18 -4.42 117.00 120.20 3bg1 n LEU 361 Ca 0.02 0.06 0.31 0.00 -0.03 0.00 0.00 56.01 56.37 3bg1 n LEU 361 Cb 0.10 -0.77 0.58 0.00 -2.33 0.00 0.00 43.42 40.99 3bg1 n LEU 361 CO 0.08 0.82 1.14 0.77 -1.33 0.00 0.00 177.39 178.87 3bg1 h SER 362 N 0.03 0.35 0.00 -1.43 4.64 -0.89 -3.41 113.55 112.84 3bg1 h SER 362 Ca -0.49 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3bg1 h SER 362 Cb 2.00 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 64.27 3bg1 h SER 362 CO 0.01 -0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.31 3bg1 n GLY 363 N -1.36 1.72 3.59 -0.77 0.00 -1.25 -4.86 105.19 102.26 3bg1 n GLY 363 Ca 0.36 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3bg1 n GLY 363 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bg1 s SER 364 N -4.00 6.58 0.00 1.61 1.04 -1.26 -3.97 113.70 113.70 3bg1 s SER 364 Ca 0.00 0.42 0.15 0.00 0.48 0.00 0.00 55.95 57.00 3bg1 s SER 364 Cb 0.00 -2.41 -0.19 0.00 0.10 0.00 0.00 66.02 63.52 3bg1 s SER 364 CO 0.00 -0.74 0.72 -0.81 0.98 0.00 0.00 173.24 173.39 3bg1 n PRO 365 N 6.45 0.63 0.03 4.02 -0.04 -1.26 -4.08 135.00 140.75 3bg1 n PRO 365 Ca 0.04 0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 63.63 3bg1 n PRO 365 Cb 0.48 -1.79 -0.14 0.00 -0.04 0.00 0.00 33.50 32.01 3bg1 n PRO 365 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3bg1 h PHE 366 N 0.00 0.22 -1.39 0.54 0.05 -1.94 -1.74 116.94 112.68 3bg1 h PHE 366 Ca -0.23 -0.16 -0.71 0.00 3.82 0.00 0.00 57.97 60.68 3bg1 h PHE 366 Cb 1.82 -0.01 -0.28 0.00 2.00 0.00 0.00 35.95 39.48 3bg1 h PHE 366 CO 0.00 1.22 0.94 -0.85 -0.18 0.00 0.00 178.31 179.44 3bg1 n GLU 367 N -3.30 2.72 -2.83 1.51 0.28 -1.26 -4.30 120.64 113.46 3bg1 n GLU 367 Ca -0.15 -3.39 -0.17 0.00 -0.16 0.00 0.00 57.16 53.29 3bg1 n GLU 367 Cb 1.03 -2.28 0.04 0.00 1.43 0.00 0.00 31.44 31.66 3bg1 n GLU 367 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3bg1 n GLY 368 N -0.77 2.16 0.00 -1.84 0.00 -1.25 -4.97 105.19 98.51 3bg1 n GLY 368 Ca 0.59 -2.23 0.14 0.00 0.00 0.00 0.00 46.02 44.53 3bg1 n GLY 368 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bg1 n LEU 369 N 0.00 0.00 -1.16 0.99 4.77 -1.26 -3.31 117.00 117.03 3bg1 n LEU 369 Ca 0.10 0.47 0.01 0.00 -0.03 0.00 0.00 56.01 56.56 3bg1 n LEU 369 Cb 0.50 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3bg1 n LEU 369 CO 0.32 -0.01 0.17 0.33 -1.33 0.00 0.00 177.39 176.87 3bg1 n PHE 370 N -1.47 0.00 0.00 -1.77 -0.00 -1.26 -5.04 117.46 107.92 3bg1 n PHE 370 Ca 0.08 -0.39 0.00 0.00 -0.00 0.00 0.00 57.45 57.14 3bg1 n PHE 370 Cb 0.32 0.04 0.00 0.00 -0.00 0.00 0.00 39.48 39.85 3bg1 n PHE 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3bg1 n SER 371 N 0.27 0.00 -0.56 -2.13 2.88 -1.21 -4.91 113.62 107.96 3bg1 n SER 371 Ca -0.03 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.56 3bg1 n SER 371 Cb 0.93 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.49 3bg1 n SER 371 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3bg1 n LEU 372 N 0.00 2.44 0.26 2.46 4.77 -0.65 -4.55 117.00 121.73 3bg1 n LEU 372 Ca 0.00 -1.49 0.11 0.00 -0.03 0.00 0.00 56.01 54.61 3bg1 n LEU 372 Cb 0.00 -0.12 0.60 0.00 -2.33 0.00 0.00 43.42 41.58 3bg1 n LEU 372 CO 0.00 0.55 0.97 0.11 -1.33 0.00 0.00 177.39 177.69 3bg1 h LYS 373 N 2.18 0.00 0.00 3.23 1.57 -1.81 0.87 116.57 122.61 3bg1 h LYS 373 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3bg1 h LYS 373 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3bg1 h LYS 373 CO 0.00 0.00 -0.18 1.05 -0.57 0.00 0.00 179.45 179.75 3bg1 h GLU 374 N 0.00 0.00 0.00 3.15 4.11 -1.96 -3.16 114.58 116.73 3bg1 h GLU 374 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3bg1 h GLU 374 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3bg1 h GLU 374 CO 0.00 0.18 0.00 1.28 0.07 0.00 0.00 179.01 180.54 3bg1 n LEU 375 N -3.65 0.33 0.08 3.06 4.77 0.30 -3.03 117.00 118.86 3bg1 n LEU 375 Ca -0.01 0.63 0.04 0.00 -0.03 0.00 0.00 56.01 56.64 3bg1 n LEU 375 Cb 0.31 -0.64 0.23 0.00 -2.33 0.00 0.00 43.42 40.99 3bg1 n LEU 375 CO 0.32 -0.65 0.66 -0.62 -1.33 0.00 0.00 177.39 175.77 3bg1 n GLU 376 N -1.91 0.06 0.42 3.23 1.02 -1.19 -2.41 120.64 119.86 3bg1 n GLU 376 Ca 0.00 0.49 -0.17 0.00 -0.02 0.00 0.00 57.16 57.47 3bg1 n GLU 376 Cb 0.07 -1.83 -0.08 0.00 -0.02 0.00 0.00 31.44 29.58 3bg1 n GLU 376 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3bg1 h SER 377 N 0.00 -0.93 -0.00 1.62 0.02 -1.85 -3.39 113.55 109.02 3bg1 h SER 377 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3bg1 h SER 377 Cb 0.28 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3bg1 h SER 377 CO 0.00 -0.58 -0.05 -0.62 -1.14 0.00 0.00 176.83 174.45 3bg1 n GLU 378 N -5.51 2.34 -3.50 3.45 4.71 -1.17 -5.03 120.64 115.93 3bg1 n GLU 378 Ca -0.14 -0.37 -0.38 0.00 -0.01 0.00 0.00 57.16 56.26 3bg1 n GLU 378 Cb 0.44 -0.86 -0.06 0.00 -1.01 0.00 0.00 31.44 29.94 3bg1 n GLU 378 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3bg1 s PHE 379 N -0.65 3.65 0.29 -0.32 0.40 -1.01 -5.03 117.98 115.31 3bg1 s PHE 379 Ca 0.02 0.89 -0.30 0.00 -0.60 0.00 0.00 56.93 56.94 3bg1 s PHE 379 Cb 0.02 -2.31 -0.12 0.00 0.51 0.00 0.00 43.02 41.12 3bg1 s PHE 379 CO 0.06 0.53 1.52 0.45 0.70 0.00 0.00 175.22 178.48 3bg1 n SER 380 N 2.34 3.50 -0.35 1.36 2.88 -1.26 -4.78 113.62 117.32 3bg1 n SER 380 Ca -0.13 1.15 0.24 0.00 -1.33 0.00 0.00 58.87 58.80 3bg1 n SER 380 Cb 0.52 -1.54 0.48 0.00 -0.75 0.00 0.00 64.21 62.92 3bg1 n SER 380 CO 0.00 0.00 0.00 4.11 -1.23 0.00 0.00 175.04 177.92 3bg1 h TRP 381 N 4.42 0.88 0.00 0.66 5.08 -1.95 1.83 115.95 126.86 3bg1 h TRP 381 Ca -0.47 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.52 3bg1 h TRP 381 Cb 1.24 -0.24 -0.00 0.00 -3.00 0.00 0.00 29.16 27.16 3bg1 h TRP 381 CO 0.57 -0.11 -0.07 1.25 -1.28 0.00 0.00 178.44 178.79 3bg1 h LEU 382 N 0.35 0.00 -0.31 0.11 5.85 -1.99 0.38 115.31 119.70 3bg1 h LEU 382 Ca 0.71 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.36 3bg1 h LEU 382 Cb 1.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 3bg1 h LEU 382 CO -0.53 0.07 -0.10 0.00 -0.34 0.00 0.00 178.44 177.54 3bg1 h LEU 384 N 0.38 -0.61 -0.74 0.00 3.38 -1.03 -2.93 115.31 113.77 3bg1 h LEU 384 Ca 0.08 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.16 3bg1 h LEU 384 Cb 0.60 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.37 3bg1 h LEU 384 CO 0.04 -0.35 -0.20 0.25 0.09 0.00 0.00 178.44 178.26 3bg1 h LEU 385 N -0.84 -0.75 -1.99 1.67 5.85 -0.97 1.37 115.31 119.65 3bg1 h LEU 385 Ca -0.07 0.23 0.25 0.00 0.84 0.00 0.00 57.88 59.12 3bg1 h LEU 385 Cb 0.60 0.48 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 3bg1 h LEU 385 CO 0.12 -0.25 0.63 -1.13 -0.34 0.00 0.00 178.44 177.47 3bg1 h ASN 386 N -0.01 0.01 0.58 1.25 -1.24 -1.22 -0.05 115.58 114.89 3bg1 h ASN 386 Ca 0.35 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.33 3bg1 h ASN 386 Cb 0.55 -0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.60 3bg1 h ASN 386 CO -0.76 0.00 -0.28 -0.07 -1.29 0.00 0.00 177.43 175.03 3bg1 h LEU 387 N 0.01 -0.66 -2.16 0.34 3.38 0.19 -1.92 115.31 114.48 3bg1 h LEU 387 Ca 0.42 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.41 3bg1 h LEU 387 Cb 1.66 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 3bg1 h LEU 387 CO -0.01 -0.30 0.28 0.74 0.09 0.00 0.00 178.44 179.24 3bg1 h THR 388 N -1.07 0.37 0.00 0.22 2.02 -0.64 0.32 112.91 114.13 3bg1 h THR 388 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3bg1 h THR 388 Cb 0.65 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3bg1 h THR 388 CO 0.13 0.00 -0.65 -0.07 0.37 0.00 0.00 175.52 175.30 3bg1 h LEU 389 N 0.00 0.00 0.00 2.58 3.38 -1.11 -2.91 115.31 117.24 3bg1 h LEU 389 Ca 0.10 -0.09 -0.38 0.00 0.09 0.00 0.00 57.88 57.61 3bg1 h LEU 389 Cb 0.66 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 3bg1 h LEU 389 CO -0.00 0.04 -2.28 0.00 0.09 0.00 0.00 178.44 176.29 3bg1 n TYR 391 N -3.89 0.00 -0.34 0.00 0.53 0.74 -4.64 117.16 109.57 3bg1 n TYR 391 Ca -0.44 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.32 3bg1 n TYR 391 Cb 0.84 -0.01 0.13 0.00 -1.03 0.00 0.00 39.34 39.27 3bg1 n TYR 391 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3bg1 n GLY 392 N 1.26 3.36 1.48 2.72 0.00 -0.98 -4.52 105.19 108.52 3bg1 n GLY 392 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3bg1 n GLY 392 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bg1 n GLN 393 N -0.37 0.47 0.00 1.61 1.13 -1.25 -4.63 117.38 114.33 3bg1 n GLN 393 Ca 0.34 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 3bg1 n GLN 393 Cb 1.16 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 30.25 3bg1 n GLN 393 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3bg1 n ILE 394 N 1.40 0.00 -4.30 5.09 5.41 -1.26 -4.05 119.36 121.64 3bg1 n ILE 394 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 3bg1 n ILE 394 Cb 0.23 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.05 3bg1 n ILE 394 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3bg1 s ASP 395 N -4.82 2.46 -1.22 4.38 1.01 -1.26 -4.92 116.67 112.29 3bg1 s ASP 395 Ca 0.00 -0.85 -0.10 0.00 0.71 0.00 0.00 52.55 52.31 3bg1 s ASP 395 Cb 0.00 -0.13 0.19 0.00 1.01 0.00 0.00 42.92 43.99 3bg1 s ASP 395 CO 0.00 -0.07 1.60 -0.62 0.21 0.00 0.00 175.17 176.29 3bg1 n GLU 396 N 0.37 3.61 0.00 8.23 -0.58 -1.26 -4.94 120.64 126.08 3bg1 n GLU 396 Ca -0.14 -3.84 0.00 0.00 -0.42 0.00 0.00 57.16 52.76 3bg1 n GLU 396 Cb 0.57 -2.90 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 3bg1 n GLU 396 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 3bg1 n TYR 397 N 4.19 0.00 -2.29 -0.32 0.18 -1.26 -5.14 117.16 112.52 3bg1 n TYR 397 Ca 0.36 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.78 3bg1 n TYR 397 Cb 0.39 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.34 3bg1 n TYR 397 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 3bg1 s SER 398 N 1.00 6.10 -0.02 9.48 1.04 -1.26 -4.97 113.70 125.07 3bg1 s SER 398 Ca 0.00 2.23 -0.24 0.00 0.48 0.00 0.00 55.95 58.42 3bg1 s SER 398 Cb 0.00 -2.59 -0.18 0.00 0.10 0.00 0.00 66.02 63.35 3bg1 s SER 398 CO 0.00 -0.96 1.18 0.25 0.98 0.00 0.00 173.24 174.68 3bg1 h LEU 399 N 1.82 -0.15 -0.76 2.42 5.85 -1.98 -1.99 115.31 120.51 3bg1 h LEU 399 Ca -0.49 -0.35 0.14 0.00 0.84 0.00 0.00 57.88 58.01 3bg1 h LEU 399 Cb 1.25 0.04 -0.14 0.00 0.37 0.00 0.00 40.66 42.18 3bg1 h LEU 399 CO 0.59 0.30 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.36 3bg1 h GLU 400 N -0.65 -0.07 -0.09 1.25 3.07 -1.91 0.82 114.58 117.01 3bg1 h GLU 400 Ca -0.02 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3bg1 h GLU 400 Cb 0.49 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 3bg1 h GLU 400 CO 0.03 -0.05 -0.18 1.03 -1.40 0.00 0.00 179.01 178.45 3bg1 h SER 401 N -0.07 0.13 0.79 1.42 0.87 -1.77 -2.22 113.55 112.70 3bg1 h SER 401 Ca 0.31 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 3bg1 h SER 401 Cb 0.58 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3bg1 h SER 401 CO -0.81 0.33 -0.38 0.25 -0.53 0.00 0.00 176.83 175.69 3bg1 h LEU 402 N 0.13 -0.90 -0.86 2.23 5.85 0.13 -2.04 115.31 119.86 3bg1 h LEU 402 Ca 0.03 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.94 3bg1 h LEU 402 Cb 0.40 0.23 -0.16 0.00 0.37 0.00 0.00 40.66 41.50 3bg1 h LEU 402 CO 0.03 -0.58 -0.25 0.58 -0.34 0.00 0.00 178.44 177.87 3bg1 h VAL 403 N -1.19 0.12 -0.89 1.05 2.07 -0.51 0.86 116.25 117.76 3bg1 h VAL 403 Ca -0.11 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.65 3bg1 h VAL 403 Cb 0.81 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3bg1 h VAL 403 CO 0.18 0.00 0.62 1.56 0.02 0.00 0.00 177.57 179.94 3bg1 h GLN 404 N -0.02 0.17 -0.59 1.57 1.08 -1.09 -0.72 115.11 115.51 3bg1 h GLN 404 Ca 0.39 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.50 3bg1 h GLN 404 Cb 0.62 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 3bg1 h GLN 404 CO -0.88 0.11 0.08 0.66 -0.95 0.00 0.00 178.83 177.85 3bg1 h SER 405 N 0.17 0.92 0.25 1.46 4.64 0.15 -2.98 113.55 118.17 3bg1 h SER 405 Ca 0.44 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 3bg1 h SER 405 Cb 1.47 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3bg1 h SER 405 CO -0.09 0.93 -0.12 -0.74 -0.87 0.00 0.00 176.83 175.95 3bg1 h HIS 406 N 0.91 -0.31 -1.24 4.77 -0.00 -1.05 -2.88 115.15 115.35 3bg1 h HIS 406 Ca 0.18 -0.01 0.36 0.00 -0.00 0.00 0.00 60.37 60.90 3bg1 h HIS 406 Cb 0.42 0.10 -0.07 0.00 -0.00 0.00 0.00 27.41 27.86 3bg1 h HIS 406 CO 0.03 -0.09 0.86 -0.07 -0.00 0.00 0.00 177.93 178.65 3bg1 h LEU 407 N -0.48 0.15 -0.21 0.26 4.07 -1.40 -0.90 115.31 116.80 3bg1 h LEU 407 Ca -0.03 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 3bg1 h LEU 407 Cb 0.36 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 3bg1 h LEU 407 CO 0.06 -0.00 0.03 0.44 -1.08 0.00 0.00 178.44 177.89 3bg1 h ASP 408 N 0.12 0.34 0.87 -0.43 3.32 -1.40 -3.17 116.42 116.07 3bg1 h ASP 408 Ca 0.64 -0.26 -0.15 0.00 0.02 0.00 0.00 57.03 57.28 3bg1 h ASP 408 Cb 2.25 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 41.69 3bg1 h ASP 408 CO -0.14 0.52 -0.71 0.11 -1.72 0.00 0.00 179.24 177.30 3bg1 h LYS 409 N 0.15 0.00 -6.34 3.56 1.79 -1.24 -3.45 116.57 111.04 3bg1 h LYS 409 Ca 0.06 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.89 3bg1 h LYS 409 Cb 0.32 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.69 3bg1 h LYS 409 CO 0.00 0.71 -0.87 -0.06 -1.08 0.00 0.00 179.45 178.15 3bg1 s PHE 410 N -3.23 2.07 0.40 -1.35 2.99 -0.95 -5.11 117.98 112.79 3bg1 s PHE 410 Ca 0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 56.93 56.31 3bg1 s PHE 410 Cb 0.11 -1.29 -0.10 0.00 0.00 0.00 0.00 43.02 41.74 3bg1 s PHE 410 CO 0.77 0.03 0.98 -1.54 -0.00 0.00 0.00 175.22 175.46 3bg1 s SER 411 N -0.84 6.93 0.37 1.36 1.04 -1.26 -4.53 113.70 116.77 3bg1 s SER 411 Ca 0.09 1.85 0.07 0.00 0.48 0.00 0.00 55.95 58.44 3bg1 s SER 411 Cb -0.09 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.46 3bg1 s SER 411 CO 0.00 -0.36 0.46 -1.48 0.98 0.00 0.00 173.24 172.85 3bg1 s LEU 412 N -2.76 3.75 -0.02 2.42 0.05 -1.26 -5.03 118.68 115.84 3bg1 s LEU 412 Ca 0.58 -0.37 -0.30 0.00 0.05 0.00 0.00 54.13 54.09 3bg1 s LEU 412 Cb -0.16 -2.56 -0.03 0.00 -2.05 0.00 0.00 46.19 41.38 3bg1 s LEU 412 CO 0.21 -0.55 1.11 -2.16 -0.55 0.00 0.00 176.35 174.41 3bg1 s PRO 413 N -4.20 4.44 0.41 1.48 0.04 -1.26 -5.00 135.00 130.92 3bg1 s PRO 413 Ca 0.48 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.85 3bg1 s PRO 413 Cb -0.08 -3.47 -0.08 0.00 0.04 0.00 0.00 34.50 30.90 3bg1 s PRO 413 CO 0.31 -0.26 1.24 0.71 0.04 0.00 0.00 177.00 179.04 3bg1 s TYR 414 N 1.53 2.89 -0.01 0.56 1.51 -1.26 -2.72 117.35 119.85 3bg1 s TYR 414 Ca 0.54 1.47 0.00 0.00 -1.01 0.00 0.00 57.07 58.08 3bg1 s TYR 414 Cb -0.24 -3.55 0.00 0.00 -0.11 0.00 0.00 41.96 38.06 3bg1 s TYR 414 CO 0.25 -1.80 0.00 -0.25 -1.11 0.00 0.00 175.55 172.64 3bg1 n ASP 415 N 0.00 -4.81 -4.59 2.29 8.00 -1.26 -4.97 116.55 111.21 3bg1 n ASP 415 Ca 0.05 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.14 3bg1 n ASP 415 Cb 0.45 -2.31 -0.08 0.00 -0.02 0.00 0.00 41.12 39.16 3bg1 n ASP 415 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3bg1 s ASP 416 N -2.01 6.39 0.19 -2.24 -1.08 -1.10 -4.80 116.67 112.01 3bg1 s ASP 416 Ca 0.00 0.30 -0.10 0.00 -0.52 0.00 0.00 52.55 52.23 3bg1 s ASP 416 Cb 0.00 -2.28 0.10 0.00 -1.46 0.00 0.00 42.92 39.28 3bg1 s ASP 416 CO 0.00 -0.38 1.73 1.55 0.52 0.00 0.00 175.17 178.59 3bg1 h PRO 417 N 8.21 1.02 -0.14 4.34 0.13 -1.91 -1.43 132.00 142.23 3bg1 h PRO 417 Ca -0.28 -0.20 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 3bg1 h PRO 417 Cb 1.13 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 3bg1 h PRO 417 CO 0.75 0.87 -0.22 -0.84 -0.23 0.00 0.00 178.00 178.32 3bg1 h ILE 418 N 0.96 1.22 0.24 -3.56 3.07 -1.95 -2.05 117.51 115.44 3bg1 h ILE 418 Ca 0.22 -1.03 -0.01 0.00 1.55 0.00 0.00 64.86 65.58 3bg1 h ILE 418 Cb 0.26 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 3bg1 h ILE 418 CO -0.01 0.32 -0.11 1.23 -1.05 0.00 0.00 178.15 178.52 3bg1 h GLY 419 N 0.91 -0.33 -1.00 0.16 0.00 -1.74 -3.06 103.07 98.01 3bg1 h GLY 419 Ca 0.04 0.12 0.14 0.00 0.00 0.00 0.00 47.33 47.63 3bg1 h GLY 419 CO 0.04 -0.12 -0.43 -0.62 0.00 0.00 0.00 176.54 175.40 3bg1 n VAL 420 N -2.90 -0.56 -0.35 4.60 0.31 -0.60 0.38 118.33 119.21 3bg1 n VAL 420 Ca -0.04 2.35 0.34 0.00 -0.01 0.00 0.00 64.34 66.98 3bg1 n VAL 420 Cb 0.13 -3.06 0.70 0.00 -0.91 0.00 0.00 33.84 30.70 3bg1 n VAL 420 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3bg1 h ILE 421 N 0.00 0.39 0.12 2.52 2.04 -1.38 0.10 117.51 121.30 3bg1 h ILE 421 Ca 0.30 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 3bg1 h ILE 421 Cb 0.55 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3bg1 h ILE 421 CO -0.98 0.02 -0.06 -0.26 0.00 0.00 0.00 178.15 176.87 3bg1 h PHE 422 N 0.09 -0.15 -1.01 1.37 -1.00 0.03 -2.13 116.94 114.14 3bg1 h PHE 422 Ca 0.61 -0.00 0.24 0.00 2.81 0.00 0.00 57.97 61.63 3bg1 h PHE 422 Cb 2.23 0.05 -0.12 0.00 3.61 0.00 0.00 35.95 41.72 3bg1 h PHE 422 CO -0.00 0.28 0.61 1.96 -1.61 0.00 0.00 178.31 179.55 3bg1 h GLN 423 N -0.64 0.56 -0.35 1.51 4.20 -0.69 0.95 115.11 120.64 3bg1 h GLN 423 Ca -0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3bg1 h GLN 423 Cb 0.50 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3bg1 h GLN 423 CO 0.03 0.37 0.11 -0.07 -0.67 0.00 0.00 178.83 178.60 3bg1 h LEU 424 N 0.58 0.52 -0.30 1.46 3.38 -1.26 0.11 115.31 119.80 3bg1 h LEU 424 Ca 0.63 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 3bg1 h LEU 424 Cb 1.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3bg1 h LEU 424 CO -0.43 0.58 0.02 0.22 0.09 0.00 0.00 178.44 178.92 3bg1 h TYR 425 N 0.42 0.55 -0.16 1.13 3.20 0.70 -3.24 116.97 119.57 3bg1 h TYR 425 Ca 0.11 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.93 3bg1 h TYR 425 Cb 0.25 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3bg1 h TYR 425 CO 0.01 0.63 -0.03 0.00 -1.64 0.00 0.00 178.16 177.13 3bg1 h ALA 426 N 0.85 0.12 0.00 1.82 0.00 0.85 -3.26 119.26 119.64 3bg1 h ALA 426 Ca 0.09 0.06 -0.65 0.00 0.00 0.00 0.00 54.91 54.41 3bg1 h ALA 426 Cb 0.40 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.31 3bg1 h ALA 426 CO 0.01 -0.47 3.33 0.00 0.00 0.00 0.00 179.25 182.12 3bg1 n ALA 427 N -2.33 6.17 -0.17 0.00 0.00 0.38 -4.49 120.51 120.07 3bg1 n ALA 427 Ca -0.03 -3.46 0.00 0.00 0.00 0.00 0.00 53.44 49.95 3bg1 n ALA 427 Cb 0.10 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.14 3bg1 n ALA 427 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3bg1 n ASN 428 N 4.87 0.00 0.20 0.00 2.85 -1.23 -1.41 115.26 120.55 3bg1 n ASN 428 Ca 0.63 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 55.15 3bg1 n ASN 428 Cb 0.29 0.00 0.42 0.00 1.24 0.00 0.00 39.78 41.73 3bg1 n ASN 428 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3bg1 h GLU 429 N 0.00 0.00 0.00 1.20 5.08 -1.94 -2.75 114.58 116.18 3bg1 h GLU 429 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bg1 h GLU 429 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bg1 h GLU 429 CO 0.00 0.33 0.00 0.09 -1.00 0.00 0.00 179.01 178.43 3bg1 n ASN 430 N -3.88 0.00 0.00 1.42 3.02 -1.08 -4.55 115.26 110.20 3bg1 n ASN 430 Ca -0.01 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 3bg1 n ASN 430 Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 3bg1 n ASN 430 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3bg1 n THR 431 N -0.75 0.00 -0.03 3.41 -1.04 -0.50 -0.07 114.28 115.30 3bg1 n THR 431 Ca 0.11 0.50 0.12 0.00 -2.04 0.00 0.00 64.05 62.75 3bg1 n THR 431 Cb 0.05 -0.69 0.54 0.00 -1.82 0.00 0.00 70.33 68.42 3bg1 n THR 431 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3bg1 h GLU 432 N 0.00 0.29 -0.28 -2.82 4.81 -1.80 -0.43 114.58 114.36 3bg1 h GLU 432 Ca 0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 3bg1 h GLU 432 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3bg1 h GLU 432 CO 0.00 0.20 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.07 3bg1 h LYS 433 N 0.30 0.62 -0.00 1.92 3.64 -0.81 -1.35 116.57 120.89 3bg1 h LYS 433 Ca 0.23 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3bg1 h LYS 433 Cb 0.52 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3bg1 h LYS 433 CO -0.05 0.88 -0.00 1.25 -2.27 0.00 0.00 179.45 179.26 3bg1 h LEU 434 N 0.36 0.00 -0.35 5.20 5.85 0.00 -0.74 115.31 125.63 3bg1 h LEU 434 Ca 0.06 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3bg1 h LEU 434 Cb 0.72 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 3bg1 h LEU 434 CO 0.05 0.33 -0.44 0.22 -0.34 0.00 0.00 178.44 178.26 3bg1 h TYR 435 N -0.33 -1.35 -0.56 1.25 3.20 -1.07 1.52 116.97 119.64 3bg1 h TYR 435 Ca 0.00 0.07 0.11 0.00 3.14 0.00 0.00 58.73 62.05 3bg1 h TYR 435 Cb 0.33 0.64 -0.11 0.00 1.54 0.00 0.00 36.73 39.13 3bg1 h TYR 435 CO 0.04 -0.38 -0.19 0.87 -1.64 0.00 0.00 178.16 176.86 3bg1 h LYS 436 N -0.29 -0.06 -0.66 1.82 1.57 -1.19 0.13 116.57 117.89 3bg1 h LYS 436 Ca 0.06 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.93 3bg1 h LYS 436 Cb 0.46 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 3bg1 h LYS 436 CO -0.49 -0.04 0.32 1.49 -0.57 0.00 0.00 179.45 180.16 3bg1 h GLU 437 N -0.06 0.53 0.04 3.15 4.81 0.12 -2.75 114.58 120.43 3bg1 h GLU 437 Ca 0.26 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3bg1 h GLU 437 Cb 0.46 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3bg1 h GLU 437 CO -0.60 0.35 -0.02 0.28 -0.73 0.00 0.00 179.01 178.29 3bg1 h VAL 438 N 0.55 1.23 -0.01 0.32 2.07 0.42 -3.10 116.25 117.73 3bg1 h VAL 438 Ca 0.32 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3bg1 h VAL 438 Cb 0.34 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3bg1 h VAL 438 CO -0.26 0.23 0.01 -0.09 0.02 0.00 0.00 177.57 177.48 3bg1 h ARG 439 N -0.46 0.00 0.00 1.57 2.43 -0.76 0.00 114.38 117.17 3bg1 h ARG 439 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3bg1 h ARG 439 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3bg1 h ARG 439 CO 0.01 0.00 0.00 0.94 -1.51 0.00 0.00 179.97 179.41 3bg1 n GLN 440 N -3.54 0.03 0.00 0.20 7.27 -1.05 -3.55 117.38 116.74 3bg1 n GLN 440 Ca -0.03 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.25 3bg1 n GLN 440 Cb 0.09 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.19 3bg1 n GLN 440 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3bg1 n ARG 441 N -1.59 4.46 -3.94 3.69 1.74 -0.06 -5.07 116.66 115.88 3bg1 n ARG 441 Ca 0.04 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.98 3bg1 n ARG 441 Cb 0.22 -0.63 -0.15 0.00 -1.02 0.00 0.00 32.46 30.89 3bg1 n ARG 441 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3bg1 s THR 442 N -1.23 0.13 -0.35 0.55 2.01 -0.93 -4.99 115.64 110.82 3bg1 s THR 442 Ca 0.00 -0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.07 3bg1 s THR 442 Cb 0.00 -0.15 0.69 0.00 0.01 0.00 0.00 72.50 73.05 3bg1 s THR 442 CO 0.00 0.06 1.71 0.59 -0.69 0.00 0.00 174.62 176.29 3bg1 n ASN 443 N 3.33 4.65 0.05 3.53 3.02 -1.26 -4.32 115.26 124.25 3bg1 n ASN 443 Ca -0.16 -3.09 -0.07 0.00 -0.03 0.00 0.00 54.58 51.23 3bg1 n ASN 443 Cb 0.57 -0.73 -0.12 0.00 -0.61 0.00 0.00 39.78 38.89 3bg1 n ASN 443 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bg1 h ALA 444 N 2.73 0.39 -2.18 5.41 0.00 -1.94 -3.43 119.26 120.24 3bg1 h ALA 444 Ca 0.23 -0.97 -0.65 0.00 0.00 0.00 0.00 54.91 53.51 3bg1 h ALA 444 Cb 2.19 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.74 3bg1 h ALA 444 CO 0.67 1.28 0.13 -0.51 0.00 0.00 0.00 179.25 180.82 3bg1 s LEU 445 N -6.65 4.51 -0.11 0.00 1.43 -1.26 -4.78 118.68 111.82 3bg1 s LEU 445 Ca 0.00 -0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 52.44 3bg1 s LEU 445 Cb 0.10 -2.72 -0.09 0.00 0.03 0.00 0.00 46.19 43.50 3bg1 s LEU 445 CO 0.82 -0.79 2.04 -0.67 0.23 0.00 0.00 176.35 177.98 3bg1 n ASP 446 N 6.27 3.52 -0.13 2.29 2.03 -1.26 -4.74 116.55 124.53 3bg1 n ASP 446 Ca -0.02 0.69 -0.03 0.00 0.52 0.00 0.00 54.79 55.96 3bg1 n ASP 446 Cb 0.48 -1.46 -0.02 0.00 -0.72 0.00 0.00 41.12 39.39 3bg1 n ASP 446 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3bg1 n VAL 447 N 6.17 -0.21 -0.20 5.18 0.31 -1.26 0.34 118.33 128.67 3bg1 n VAL 447 Ca 0.25 0.78 0.12 0.00 -0.01 0.00 0.00 64.34 65.48 3bg1 n VAL 447 Cb 0.37 -0.98 0.43 0.00 -0.91 0.00 0.00 33.84 32.75 3bg1 n VAL 447 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3bg1 h GLN 448 N 0.00 0.56 0.39 5.55 4.15 -1.96 -0.83 115.11 122.96 3bg1 h GLN 448 Ca 0.07 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 3bg1 h GLN 448 Cb 0.15 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.72 3bg1 h GLN 448 CO -0.31 0.37 -0.19 0.35 -1.93 0.00 0.00 178.83 177.12 3bg1 h PHE 449 N 0.57 -0.48 -0.71 3.99 3.57 0.54 -0.26 116.94 124.16 3bg1 h PHE 449 Ca 0.38 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.95 3bg1 h PHE 449 Cb 0.67 0.16 -0.10 0.00 2.79 0.00 0.00 35.95 39.47 3bg1 h PHE 449 CO -0.00 -0.30 -0.37 0.00 -2.23 0.00 0.00 178.31 175.41 3bg1 h TRP 451 N 0.00 -0.83 -0.32 0.00 7.01 -1.12 -0.63 115.95 120.06 3bg1 h TRP 451 Ca 0.16 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.27 3bg1 h TRP 451 Cb 0.34 0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 3bg1 h TRP 451 CO -0.70 -0.42 0.24 -0.92 -2.79 0.00 0.00 178.44 173.86 3bg1 h TYR 452 N -0.54 0.00 0.22 2.65 3.20 0.22 -0.91 116.97 121.80 3bg1 h TYR 452 Ca 0.03 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3bg1 h TYR 452 Cb 0.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3bg1 h TYR 452 CO -0.27 0.00 -0.10 1.25 -1.64 0.00 0.00 178.16 177.40 3bg1 h LEU 453 N 0.00 -0.25 -0.85 2.82 6.46 0.15 0.61 115.31 124.25 3bg1 h LEU 453 Ca 0.15 0.01 0.19 0.00 -0.12 0.00 0.00 57.88 58.11 3bg1 h LEU 453 Cb 0.63 0.06 -0.16 0.00 -0.73 0.00 0.00 40.66 40.46 3bg1 h LEU 453 CO -0.00 -0.13 -0.12 0.40 -0.62 0.00 0.00 178.44 177.97 3bg1 h ILE 454 N -0.37 0.17 -0.37 4.05 1.08 -0.96 0.24 117.51 121.36 3bg1 h ILE 454 Ca -0.03 -0.01 -0.04 0.00 -0.39 0.00 0.00 64.86 64.39 3bg1 h ILE 454 Cb 0.22 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 3bg1 h ILE 454 CO 0.05 0.00 0.08 1.56 -0.69 0.00 0.00 178.15 179.15 3bg1 h GLN 455 N 0.03 0.59 -0.09 2.37 7.50 -1.15 0.41 115.11 124.76 3bg1 h GLN 455 Ca 0.44 -0.15 -0.13 0.00 0.50 0.00 0.00 58.65 59.32 3bg1 h GLN 455 Cb 0.75 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.20 3bg1 h GLN 455 CO -0.83 0.64 -0.52 1.15 -1.50 0.00 0.00 178.83 177.77 3bg1 h THR 456 N 0.44 1.35 -0.13 -0.54 2.02 0.28 -2.22 112.91 114.12 3bg1 h THR 456 Ca 0.11 -1.78 -0.19 0.00 0.77 0.00 0.00 66.41 65.32 3bg1 h THR 456 Cb 0.32 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3bg1 h THR 456 CO 0.00 0.53 -0.71 -0.07 0.37 0.00 0.00 175.52 175.64 3bg1 h LEU 457 N 0.19 0.66 -0.41 2.58 3.38 -0.39 -3.24 115.31 118.08 3bg1 h LEU 457 Ca 0.01 -0.41 -0.15 0.00 0.09 0.00 0.00 57.88 57.41 3bg1 h LEU 457 Cb 0.98 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3bg1 h LEU 457 CO 0.08 1.17 -0.33 -0.09 0.09 0.00 0.00 178.44 179.36 3bg1 h ARG 458 N 0.39 0.95 -0.82 1.13 2.43 0.00 -2.98 114.38 115.48 3bg1 h ARG 458 Ca -0.03 -0.47 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 3bg1 h ARG 458 Cb 1.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 3bg1 h ARG 458 CO 0.13 1.13 0.07 1.19 -1.51 0.00 0.00 179.97 180.98 3bg1 n PHE 459 N -4.09 1.24 -0.79 2.20 3.01 -0.85 -3.66 117.46 114.52 3bg1 n PHE 459 Ca -0.02 -0.56 0.00 0.00 1.01 0.00 0.00 57.45 57.89 3bg1 n PHE 459 Cb 0.52 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 3bg1 n PHE 459 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3bg1 n ASN 460 N 0.20 0.22 0.00 4.37 3.02 -1.20 -4.81 115.26 117.06 3bg1 n ASN 460 Ca 0.18 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3bg1 n ASN 460 Cb 0.84 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 3bg1 n ASN 460 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg1 n GLY 461 N -0.00 2.43 0.34 7.41 0.00 -1.17 -4.88 105.19 109.31 3bg1 n GLY 461 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3bg1 n GLY 461 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3bg1 h THR 462 N 0.00 0.07 -2.41 2.61 2.02 -1.84 -3.44 112.91 109.91 3bg1 h THR 462 Ca 0.00 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3bg1 h THR 462 Cb 0.00 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 3bg1 h THR 462 CO 0.00 0.00 -0.06 0.54 0.37 0.00 0.00 175.52 176.37 3bg1 n ARG 463 N -5.51 0.07 -3.37 6.66 5.12 -1.21 -5.08 116.66 113.34 3bg1 n ARG 463 Ca 0.19 -0.50 -0.45 0.00 -1.93 0.00 0.00 57.85 55.16 3bg1 n ARG 463 Cb 0.63 0.42 -0.05 0.00 -1.16 0.00 0.00 32.46 32.31 3bg1 n ARG 463 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3bg1 s VAL 464 N -2.27 5.04 -0.14 1.55 -7.23 -1.26 -4.79 120.40 111.29 3bg1 s VAL 464 Ca 0.06 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 3bg1 s VAL 464 Cb 0.00 -4.23 0.02 0.00 0.56 0.00 0.00 36.38 32.73 3bg1 s VAL 464 CO 0.04 -0.88 -0.16 -0.36 -0.31 0.00 0.00 175.10 173.43 3bg1 s PHE 465 N 1.27 2.25 0.14 2.82 0.40 -1.26 -3.69 117.98 119.92 3bg1 s PHE 465 Ca 0.06 -1.22 -0.31 0.00 -0.60 0.00 0.00 56.93 54.86 3bg1 s PHE 465 Cb -0.26 -1.62 -0.09 0.00 0.51 0.00 0.00 43.02 41.56 3bg1 s PHE 465 CO 0.00 -0.64 1.55 0.45 0.70 0.00 0.00 175.22 177.28 3bg1 s SER 466 N 1.29 6.63 0.22 1.36 0.15 -1.26 -4.88 113.70 117.21 3bg1 s SER 466 Ca 0.01 2.54 -0.12 0.00 0.70 0.00 0.00 55.95 59.09 3bg1 s SER 466 Cb -0.14 -2.59 0.30 0.00 -1.71 0.00 0.00 66.02 61.89 3bg1 s SER 466 CO -0.08 -0.81 1.62 0.11 1.20 0.00 0.00 173.24 175.28 3bg1 h LYS 467 N 7.08 0.02 -0.69 5.44 1.57 -1.99 0.12 116.57 128.13 3bg1 h LYS 467 Ca -0.42 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.44 3bg1 h LYS 467 Cb 1.20 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 3bg1 h LYS 467 CO 0.91 0.01 0.34 0.93 -0.57 0.00 0.00 179.45 181.07 3bg1 h GLU 468 N 0.02 0.57 -0.15 3.15 5.08 -2.00 -1.61 114.58 119.65 3bg1 h GLU 468 Ca 0.34 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.49 3bg1 h GLU 468 Cb 0.54 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3bg1 h GLU 468 CO -0.70 0.38 -0.64 1.15 -1.00 0.00 0.00 179.01 178.19 3bg1 h THR 469 N 0.59 1.33 0.28 1.13 2.02 -1.26 -1.78 112.91 115.22 3bg1 h THR 469 Ca 0.33 -1.94 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 3bg1 h THR 469 Cb 0.34 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3bg1 h THR 469 CO -0.26 0.60 -0.13 -1.28 0.37 0.00 0.00 175.52 174.82 3bg1 h SER 470 N 0.40 -0.31 -1.00 4.18 0.87 -0.26 -2.13 113.55 115.30 3bg1 h SER 470 Ca -0.01 0.01 0.23 0.00 -1.23 0.00 0.00 61.79 60.78 3bg1 h SER 470 Cb 1.21 0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 63.16 3bg1 h SER 470 CO 0.12 -0.21 0.63 0.44 -0.53 0.00 0.00 176.83 177.27 3bg1 h ASP 471 N -0.40 0.59 -1.00 6.23 3.32 -1.43 0.41 116.42 124.15 3bg1 h ASP 471 Ca -0.04 0.09 0.19 0.00 0.02 0.00 0.00 57.03 57.29 3bg1 h ASP 471 Cb 0.29 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.72 3bg1 h ASP 471 CO 0.06 0.17 0.61 -0.08 -1.72 0.00 0.00 179.24 178.29 3bg1 h GLU 472 N 0.55 0.70 -0.00 3.56 4.81 -1.05 0.84 114.58 123.98 3bg1 h GLU 472 Ca 0.57 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 3bg1 h GLU 472 Cb 1.20 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3bg1 h GLU 472 CO -0.33 0.46 -0.73 0.00 -0.73 0.00 0.00 179.01 177.68 3bg1 n ALA 473 N -2.35 4.13 0.10 2.92 0.00 0.12 -3.77 120.51 121.66 3bg1 n ALA 473 Ca 0.23 -0.51 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 3bg1 n ALA 473 Cb 0.60 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 3bg1 n ALA 473 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3bg1 h THR 474 N 0.30 1.29 0.35 0.00 2.02 0.14 -3.10 112.91 113.91 3bg1 h THR 474 Ca 0.00 -2.48 -0.00 0.00 0.77 0.00 0.00 66.41 64.70 3bg1 h THR 474 Cb 0.52 2.74 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 3bg1 h THR 474 CO 0.00 0.75 -0.31 -0.26 0.37 0.00 0.00 175.52 176.07 3bg1 h PHE 475 N 0.25 -0.84 -0.51 3.16 0.05 -1.32 -1.16 116.94 116.57 3bg1 h PHE 475 Ca -0.20 0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.64 3bg1 h PHE 475 Cb 1.93 0.32 -0.06 0.00 2.00 0.00 0.00 35.95 40.14 3bg1 h PHE 475 CO 0.12 -0.45 -0.30 0.00 -0.18 0.00 0.00 178.31 177.50 3bg1 n ALA 476 N -2.59 -0.33 0.43 2.45 0.00 -1.22 -0.89 120.51 118.36 3bg1 n ALA 476 Ca -0.10 0.43 -0.18 0.00 0.00 0.00 0.00 53.44 53.59 3bg1 n ALA 476 Cb 0.33 0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 3bg1 n ALA 476 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3bg1 h PHE 477 N 0.00 -1.02 0.00 0.00 3.57 -1.44 -2.70 116.94 115.36 3bg1 h PHE 477 Ca 0.08 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3bg1 h PHE 477 Cb 0.21 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3bg1 h PHE 477 CO -0.72 -0.62 0.32 0.00 -2.23 0.00 0.00 178.31 175.05 3bg1 n ALA 478 N -2.62 0.56 -0.08 2.41 0.00 -0.46 -0.58 120.51 119.74 3bg1 n ALA 478 Ca -0.15 0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 3bg1 n ALA 478 Cb 0.44 -0.69 -0.12 0.00 0.00 0.00 0.00 19.45 19.08 3bg1 n ALA 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bg1 h ALA 479 N 1.09 0.15 -0.81 0.00 0.00 -0.69 -3.15 119.26 115.85 3bg1 h ALA 479 Ca 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 54.91 54.07 3bg1 h ALA 479 Cb 0.64 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3bg1 h ALA 479 CO 0.00 0.43 0.48 1.96 0.00 0.00 0.00 179.25 182.12 3bg1 h GLN 480 N -0.94 0.81 0.00 0.00 1.08 -0.68 0.63 115.11 116.02 3bg1 h GLN 480 Ca -0.21 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 3bg1 h GLN 480 Cb 1.22 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 3bg1 h GLN 480 CO -0.10 0.54 0.00 -0.07 -0.95 0.00 0.00 178.83 178.24 3bg1 h LEU 481 N 0.84 0.00 0.15 1.46 3.38 -1.44 -1.53 115.31 118.16 3bg1 h LEU 481 Ca 0.38 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.01 3bg1 h LEU 481 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3bg1 h LEU 481 CO -0.21 0.00 -1.74 -0.08 0.09 0.00 0.00 178.44 176.50 3bg1 h GLU 482 N 0.00 0.31 -0.26 1.13 4.81 0.26 -2.26 114.58 118.57 3bg1 h GLU 482 Ca 0.00 -0.53 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 3bg1 h GLU 482 Cb 0.15 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3bg1 h GLU 482 CO 0.00 1.20 -0.05 0.74 -0.73 0.00 0.00 179.01 180.17 3bg1 h PHE 483 N 0.09 0.43 0.00 0.92 -1.00 -0.71 -0.64 116.94 116.02 3bg1 h PHE 483 Ca -0.33 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.41 3bg1 h PHE 483 Cb 2.06 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 41.50 3bg1 h PHE 483 CO 0.08 0.47 0.00 0.00 -1.61 0.00 0.00 178.31 177.25 3bg1 n ALA 484 N -2.48 1.98 0.00 2.45 0.00 -0.63 -4.81 120.51 117.02 3bg1 n ALA 484 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3bg1 n ALA 484 Cb 0.25 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3bg1 n ALA 484 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3bg1 n GLN 485 N -1.44 0.00 -1.22 0.00 7.27 -0.25 -4.93 117.38 116.81 3bg1 n GLN 485 Ca 0.06 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.85 3bg1 n GLN 485 Cb 0.22 -1.38 -0.11 0.00 2.41 0.00 0.00 30.24 31.38 3bg1 n GLN 485 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3bg1 n LEU 486 N 0.00 1.55 -0.33 1.69 4.32 -0.85 -4.62 117.00 118.76 3bg1 n LEU 486 Ca 0.00 -2.24 -0.01 0.00 -0.02 0.00 0.00 56.01 53.74 3bg1 n LEU 486 Cb 0.00 -1.27 0.11 0.00 -1.62 0.00 0.00 43.42 40.65 3bg1 n LEU 486 CO 0.00 -2.72 1.23 0.45 -1.22 0.00 0.00 177.39 175.13 3bg1 h HIS 487 N 10.68 1.08 -0.70 -1.77 3.86 -1.91 -2.01 115.15 124.38 3bg1 h HIS 487 Ca 0.14 0.03 0.15 0.00 -1.16 0.00 0.00 60.37 59.53 3bg1 h HIS 487 Cb 0.87 -0.36 -0.12 0.00 1.06 0.00 0.00 27.41 28.86 3bg1 h HIS 487 CO 1.04 0.63 0.04 0.78 0.86 0.00 0.00 177.93 181.27 3bg1 h GLY 488 N 1.12 0.81 0.84 2.45 0.00 -1.93 0.39 103.07 106.75 3bg1 h GLY 488 Ca 0.35 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 3bg1 h GLY 488 CO -0.11 -0.24 -0.00 0.84 0.00 0.00 0.00 176.54 177.03 3bg1 h HIS 489 N 0.14 0.45 0.30 5.60 6.17 -1.75 -2.17 115.15 123.89 3bg1 h HIS 489 Ca 0.38 -0.08 -0.00 0.00 0.71 0.00 0.00 60.37 61.38 3bg1 h HIS 489 Cb 0.64 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 30.42 3bg1 h HIS 489 CO -0.37 0.59 -0.51 1.03 0.71 0.00 0.00 177.93 179.39 3bg1 h SER 490 N 0.18 -1.46 -0.41 3.26 0.87 -0.42 0.31 113.55 115.89 3bg1 h SER 490 Ca 0.07 0.14 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 3bg1 h SER 490 Cb 0.41 0.51 -0.09 0.00 -0.44 0.00 0.00 62.40 62.80 3bg1 h SER 490 CO 0.01 -0.60 -0.18 0.25 -0.53 0.00 0.00 176.83 175.78 3bg1 h LEU 491 N -0.86 -0.63 0.11 2.23 5.85 -0.36 0.46 115.31 122.12 3bg1 h LEU 491 Ca -0.03 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3bg1 h LEU 491 Cb 0.80 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3bg1 h LEU 491 CO -0.17 -0.22 -0.21 0.15 -0.34 0.00 0.00 178.44 177.65 3bg1 h PHE 492 N -0.10 -0.57 -0.16 1.25 3.04 -0.66 -0.73 116.94 119.01 3bg1 h PHE 492 Ca 0.20 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.19 3bg1 h PHE 492 Cb 0.41 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 3bg1 h PHE 492 CO -0.43 -0.31 0.11 0.28 -2.02 0.00 0.00 178.31 175.94 3bg1 h VAL 493 N -0.40 0.96 -0.19 1.41 2.07 0.42 0.36 116.25 120.87 3bg1 h VAL 493 Ca 0.03 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3bg1 h VAL 493 Cb 0.42 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3bg1 h VAL 493 CO -0.12 0.01 0.17 0.28 0.02 0.00 0.00 177.57 177.94 3bg1 h SER 494 N 0.08 0.00 0.84 0.57 0.02 0.14 0.15 113.55 115.35 3bg1 h SER 494 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3bg1 h SER 494 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3bg1 h SER 494 CO -0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.68 3bg1 n PHE 496 N -1.93 0.63 -3.95 0.00 3.01 0.54 -2.80 117.46 112.97 3bg1 n PHE 496 Ca 0.04 -0.83 -0.35 0.00 1.01 0.00 0.00 57.45 57.32 3bg1 n PHE 496 Cb 0.26 -0.42 -0.08 0.00 -0.01 0.00 0.00 39.48 39.23 3bg1 n PHE 496 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3bg1 s LEU 497 N -0.68 4.04 -0.14 4.37 2.96 -1.06 -4.69 118.68 123.47 3bg1 s LEU 497 Ca 0.12 0.23 -0.20 0.00 -0.22 0.00 0.00 54.13 54.06 3bg1 s LEU 497 Cb 0.10 -2.01 -0.25 0.00 0.50 0.00 0.00 46.19 44.53 3bg1 s LEU 497 CO 0.02 0.27 0.51 0.78 -1.32 0.00 0.00 176.35 176.61 3bg1 h ASN 498 N 6.02 0.21 -0.17 3.68 2.35 -1.91 -3.44 115.58 122.32 3bg1 h ASN 498 Ca -0.45 -0.79 -0.02 0.00 -0.55 0.00 0.00 56.30 54.49 3bg1 h ASN 498 Cb 1.18 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 3bg1 h ASN 498 CO 0.66 1.46 0.17 -0.67 -1.65 0.00 0.00 177.43 177.41 3bg1 n ASP 499 N -4.19 1.14 -0.62 5.81 -0.08 -1.26 -4.78 116.55 112.57 3bg1 n ASP 499 Ca -0.24 -1.93 0.48 0.00 -1.51 0.00 0.00 54.79 51.59 3bg1 n ASP 499 Cb 0.76 -1.57 0.76 0.00 2.34 0.00 0.00 41.12 43.41 3bg1 n ASP 499 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3bg1 n ASP 500 N 17.82 0.07 0.13 1.67 8.00 -1.26 0.65 116.55 143.63 3bg1 n ASP 500 Ca 0.42 1.12 -0.13 0.00 0.71 0.00 0.00 54.79 56.91 3bg1 n ASP 500 Cb 0.44 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 3bg1 n ASP 500 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3bg1 h LYS 501 N 0.00 -0.33 -0.31 -1.24 1.63 -1.99 -2.48 116.57 111.85 3bg1 h LYS 501 Ca 0.91 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.77 3bg1 h LYS 501 Cb 3.42 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 35.08 3bg1 h LYS 501 CO -0.17 -0.02 0.09 0.00 -3.45 0.00 0.00 179.45 175.90 3bg1 h ALA 502 N -0.05 0.35 -0.01 5.00 0.00 -0.17 0.33 119.26 124.71 3bg1 h ALA 502 Ca -0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3bg1 h ALA 502 Cb 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3bg1 h ALA 502 CO 0.06 -0.31 -0.13 0.00 0.00 0.00 0.00 179.25 178.86 3bg1 h ALA 503 N 1.21 -0.59 -0.69 0.00 0.00 -1.28 0.37 119.26 118.28 3bg1 h ALA 503 Ca 0.14 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.15 3bg1 h ALA 503 Cb 0.13 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 18.43 3bg1 h ALA 503 CO -0.16 -0.63 -0.33 1.49 0.00 0.00 0.00 179.25 179.61 3bg1 h GLU 504 N -0.16 -0.11 -0.63 0.00 4.81 -1.25 0.47 114.58 117.71 3bg1 h GLU 504 Ca 0.00 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 3bg1 h GLU 504 Cb 0.18 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.46 3bg1 h GLU 504 CO -0.10 -0.07 -0.26 0.22 -0.73 0.00 0.00 179.01 178.07 3bg1 h ASP 505 N -0.12 -0.91 0.30 1.04 3.58 0.62 0.57 116.42 121.51 3bg1 h ASP 505 Ca 0.27 0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.92 3bg1 h ASP 505 Cb 0.56 0.50 0.00 0.00 1.72 0.00 0.00 39.33 42.11 3bg1 h ASP 505 CO -0.75 -0.27 -0.15 0.74 -2.88 0.00 0.00 179.24 175.93 3bg1 h THR 506 N -0.09 0.00 -0.92 2.25 2.02 0.17 -3.02 112.91 113.32 3bg1 h THR 506 Ca 0.28 -0.22 0.14 0.00 0.77 0.00 0.00 66.41 67.37 3bg1 h THR 506 Cb 0.53 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.79 3bg1 h THR 506 CO -0.68 0.00 -0.37 -0.38 0.37 0.00 0.00 175.52 174.45 3bg1 n ILE 507 N -3.71 -0.50 -0.17 3.11 5.41 -0.13 0.82 119.36 124.20 3bg1 n ILE 507 Ca -0.05 2.16 -0.01 0.00 1.00 0.00 0.00 62.75 65.85 3bg1 n ILE 507 Cb 0.16 -2.84 0.08 0.00 -0.71 0.00 0.00 39.64 36.33 3bg1 n ILE 507 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3bg1 h LYS 508 N 0.00 0.17 0.91 0.38 3.64 -0.98 -0.89 116.57 119.79 3bg1 h LYS 508 Ca 0.31 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 3bg1 h LYS 508 Cb 0.54 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3bg1 h LYS 508 CO -0.91 0.11 -0.44 -0.09 -2.27 0.00 0.00 179.45 175.86 3bg1 h ARG 509 N 0.18 -1.18 -0.30 1.90 2.43 0.56 -0.43 114.38 117.53 3bg1 h ARG 509 Ca 0.27 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.58 3bg1 h ARG 509 Cb 0.40 0.27 -0.08 0.00 -0.42 0.00 0.00 29.97 30.14 3bg1 h ARG 509 CO -0.40 -0.78 -0.44 1.25 -1.51 0.00 0.00 179.97 178.08 3bg1 h LEU 510 N -1.29 -1.44 -0.02 3.80 5.85 -0.46 -2.46 115.31 119.29 3bg1 h LEU 510 Ca -0.12 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3bg1 h LEU 510 Cb 0.94 0.61 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 3bg1 h LEU 510 CO 0.21 -0.40 0.01 0.58 -0.34 0.00 0.00 178.44 178.50 3bg1 h VAL 511 N -0.40 1.02 -1.05 1.05 2.07 -1.20 -2.15 116.25 115.59 3bg1 h VAL 511 Ca 0.11 -0.06 0.30 0.00 0.82 0.00 0.00 66.70 67.87 3bg1 h VAL 511 Cb 0.61 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3bg1 h VAL 511 CO -0.51 0.02 0.75 0.24 0.02 0.00 0.00 177.57 178.09 3bg1 h MET 512 N 0.01 0.02 0.04 1.57 2.86 -0.65 -2.53 114.93 116.25 3bg1 h MET 512 Ca 0.01 -0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.30 3bg1 h MET 512 Cb 0.02 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 3bg1 h MET 512 CO -0.00 0.02 -2.08 -2.13 1.06 0.00 0.00 176.91 173.77 3bg1 n ARG 513 N -4.24 0.69 -2.01 1.72 0.63 -0.97 -4.60 116.66 107.88 3bg1 n ARG 513 Ca 0.22 0.20 -0.28 0.00 -0.92 0.00 0.00 57.85 57.08 3bg1 n ARG 513 Cb 1.10 -1.66 0.03 0.00 0.45 0.00 0.00 32.46 32.38 3bg1 n ARG 513 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3bg1 n GLU 514 N -3.18 3.35 0.10 -0.14 -0.58 -0.83 -4.81 120.64 114.54 3bg1 n GLU 514 Ca -0.31 -4.05 -0.13 0.00 -0.42 0.00 0.00 57.16 52.25 3bg1 n GLU 514 Cb 1.06 -2.27 -0.08 0.00 -0.57 0.00 0.00 31.44 29.57 3bg1 n GLU 514 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3bg1 h ILE 515 N 2.07 0.92 -0.81 -3.67 2.04 -1.74 -2.34 117.51 113.98 3bg1 h ILE 515 Ca 0.41 -0.55 0.19 0.00 1.00 0.00 0.00 64.86 65.90 3bg1 h ILE 515 Cb 1.14 1.25 -0.12 0.00 -0.74 0.00 0.00 36.82 38.35 3bg1 h ILE 515 CO 0.98 0.13 0.27 0.74 0.00 0.00 0.00 178.15 180.26 3bg1 h THR 516 N -0.52 0.49 -0.09 -0.27 2.02 -1.90 0.43 112.91 113.07 3bg1 h THR 516 Ca -0.02 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 3bg1 h THR 516 Cb 0.39 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3bg1 h THR 516 CO 0.04 0.06 -0.18 0.25 0.37 0.00 0.00 175.52 176.06 3bg1 h LEU 517 N 0.32 0.14 -1.83 2.58 5.85 -1.91 -2.28 115.31 118.18 3bg1 h LEU 517 Ca 0.48 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.17 3bg1 h LEU 517 Cb 0.86 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3bg1 h LEU 517 CO -0.53 0.33 0.00 0.18 -0.34 0.00 0.00 178.44 178.08 3bg1 n LEU 518 N -4.26 2.71 0.00 2.25 4.77 0.15 -4.69 117.00 117.93 3bg1 n LEU 518 Ca -0.01 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 3bg1 n LEU 518 Cb 0.28 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3bg1 n LEU 518 CO 0.38 0.52 0.00 0.54 -1.33 0.00 0.00 177.39 177.49 3bg1 n ARG 519 N 0.57 3.25 0.00 3.23 5.12 -0.83 -4.72 116.66 123.29 3bg1 n ARG 519 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 3bg1 n ARG 519 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 3bg1 n ARG 519 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bg1 n ALA 520 N -3.00 0.00 -0.04 7.54 0.00 -1.26 -1.99 120.51 121.77 3bg1 n ALA 520 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3bg1 n ALA 520 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3bg1 n ALA 520 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bg1 n SER 521 N -0.94 1.16 0.00 0.00 3.41 -1.26 -3.99 113.62 112.00 3bg1 n SER 521 Ca 0.00 -1.20 0.06 0.00 -0.26 0.00 0.00 58.87 57.47 3bg1 n SER 521 Cb 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.21 3bg1 n SER 521 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3bg1 n THR 522 N -0.10 1.04 0.00 6.66 5.66 -0.84 -4.34 114.28 122.37 3bg1 n THR 522 Ca 0.00 0.26 0.00 0.00 -3.05 0.00 0.00 64.05 61.26 3bg1 n THR 522 Cb 0.06 -1.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.78 3bg1 n THR 522 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3bg1 n ASN 523 N -1.43 0.00 0.00 1.09 3.02 -1.26 -4.96 115.26 111.71 3bg1 n ASN 523 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3bg1 n ASN 523 Cb 0.12 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3bg1 n ASN 523 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3bg1 n ASP 524 N 0.00 0.00 0.00 6.41 -0.08 -1.26 -4.78 116.55 116.85 3bg1 n ASP 524 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3bg1 n ASP 524 Cb 0.00 -0.47 0.00 0.00 2.34 0.00 0.00 41.12 42.99 3bg1 n ASP 524 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bg1 n HIS 525 N -2.00 0.00 -0.07 -0.67 1.44 -1.26 -4.85 115.22 107.81 3bg1 n HIS 525 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 3bg1 n HIS 525 Cb 0.00 0.04 0.09 0.00 0.12 0.00 0.00 29.99 30.24 3bg1 n HIS 525 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3bg1 n ILE 526 N 0.00 -0.09 -0.17 0.61 5.41 -1.26 0.63 119.36 124.49 3bg1 n ILE 526 Ca 0.00 0.43 -0.04 0.00 1.00 0.00 0.00 62.75 64.15 3bg1 n ILE 526 Cb 0.28 -0.66 0.15 0.00 -0.71 0.00 0.00 39.64 38.70 3bg1 n ILE 526 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3bg1 h LEU 527 N 0.00 0.86 -0.52 1.39 3.38 -1.94 -0.58 115.31 117.90 3bg1 h LEU 527 Ca 0.14 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3bg1 h LEU 527 Cb 0.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3bg1 h LEU 527 CO -0.18 0.83 -0.72 0.78 0.09 0.00 0.00 178.44 179.25 3bg1 h ASN 528 N 0.89 0.00 0.08 -0.43 2.35 -0.16 -2.71 115.58 115.59 3bg1 h ASN 528 Ca 0.20 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 3bg1 h ASN 528 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3bg1 h ASN 528 CO -0.00 0.72 -0.32 0.03 -1.65 0.00 0.00 177.43 176.20 3bg1 h ARG 529 N 0.00 0.36 -0.86 0.81 3.08 -1.32 -2.71 114.38 113.74 3bg1 h ARG 529 Ca -0.01 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 3bg1 h ARG 529 Cb 1.30 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.24 3bg1 h ARG 529 CO 0.09 0.65 0.19 1.28 -1.07 0.00 0.00 179.97 181.12 3bg1 n LEU 530 N -4.09 4.67 -4.41 3.04 4.77 -0.28 -4.91 117.00 115.80 3bg1 n LEU 530 Ca -0.01 -2.42 -0.37 0.00 -0.03 0.00 0.00 56.01 53.18 3bg1 n LEU 530 Cb 0.43 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 3bg1 n LEU 530 CO 0.42 0.66 -0.30 1.17 -1.33 0.00 0.00 177.39 178.01 3bg1 n LYS 531 N -0.04 -1.02 -2.39 3.23 3.00 -1.02 -4.65 118.16 115.27 3bg1 n LYS 531 Ca 0.27 0.14 -0.31 0.00 -0.00 0.00 0.00 58.31 58.41 3bg1 n LYS 531 Cb 1.04 -4.23 -0.03 0.00 0.00 0.00 0.00 35.03 31.81 3bg1 n LYS 531 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3bg1 s ILE 532 N -3.77 4.62 0.04 3.15 1.01 -1.04 -3.85 121.20 121.35 3bg1 s ILE 532 Ca 0.44 1.03 -0.30 0.00 0.00 0.00 0.00 60.65 61.82 3bg1 s ILE 532 Cb -0.26 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 3bg1 s ILE 532 CO 1.01 -0.75 1.90 -2.84 0.00 0.00 0.00 174.94 174.27 3bg1 s PRO 533 N -4.25 4.15 0.26 2.79 0.02 -1.26 -4.90 135.00 131.81 3bg1 s PRO 533 Ca 0.57 2.56 -0.06 0.00 0.02 0.00 0.00 61.00 64.09 3bg1 s PRO 533 Cb -0.10 -4.04 0.49 0.00 0.02 0.00 0.00 34.50 30.87 3bg1 s PRO 533 CO 0.36 -0.92 1.61 0.77 -0.33 0.00 0.00 177.00 178.49 3bg1 h SER 534 N 10.10 -0.46 0.61 2.53 0.02 -1.97 -1.74 113.55 122.65 3bg1 h SER 534 Ca -0.48 0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3bg1 h SER 534 Cb 1.23 0.41 0.01 0.00 0.14 0.00 0.00 62.40 64.18 3bg1 h SER 534 CO 0.94 -0.23 -0.29 -0.61 -1.14 0.00 0.00 176.83 175.50 3bg1 h GLN 535 N 0.07 -0.79 -0.88 3.45 5.75 -2.00 -2.66 115.11 118.05 3bg1 h GLN 535 Ca 0.45 0.05 0.24 0.00 -0.15 0.00 0.00 58.65 59.24 3bg1 h GLN 535 Cb 0.81 0.18 -0.14 0.00 1.07 0.00 0.00 27.48 29.39 3bg1 h GLN 535 CO -0.76 -0.52 0.23 1.25 -2.65 0.00 0.00 178.83 176.38 3bg1 h LEU 536 N -0.86 -0.02 0.67 -2.39 5.85 -1.72 0.58 115.31 117.41 3bg1 h LEU 536 Ca -0.08 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3bg1 h LEU 536 Cb 0.64 0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.96 3bg1 h LEU 536 CO 0.14 -0.17 -0.34 0.40 -0.34 0.00 0.00 178.44 178.14 3bg1 h ILE 537 N 0.20 0.00 -0.70 4.05 2.04 -1.39 0.16 117.51 121.87 3bg1 h ILE 537 Ca 0.55 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.55 3bg1 h ILE 537 Cb 1.12 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.10 3bg1 h ILE 537 CO -0.67 0.00 0.22 0.15 0.00 0.00 0.00 178.15 177.86 3bg1 h PHE 538 N -0.92 0.37 0.61 1.37 3.57 -0.80 0.15 116.94 121.29 3bg1 h PHE 538 Ca -0.09 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 3bg1 h PHE 538 Cb 0.71 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3bg1 h PHE 538 CO 0.05 0.01 -0.32 -0.91 -2.23 0.00 0.00 178.31 174.91 3bg1 h ASN 539 N 0.35 -0.78 -0.21 0.41 4.21 0.23 0.62 115.58 120.41 3bg1 h ASN 539 Ca 0.38 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.92 3bg1 h ASN 539 Cb 0.59 0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.99 3bg1 h ASN 539 CO -0.42 -0.52 0.13 0.00 -1.29 0.00 0.00 177.43 175.33 3bg1 h ALA 540 N -1.53 1.80 0.57 -0.83 0.00 -0.74 -0.41 119.26 118.12 3bg1 h ALA 540 Ca -0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3bg1 h ALA 540 Cb 0.66 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3bg1 h ALA 540 CO 0.12 0.17 -0.27 0.37 0.00 0.00 0.00 179.25 179.64 3bg1 h GLN 541 N 0.31 -0.74 -0.84 0.00 5.75 -0.62 -2.63 115.11 116.35 3bg1 h GLN 541 Ca 0.08 0.05 0.21 0.00 -0.15 0.00 0.00 58.65 58.85 3bg1 h GLN 541 Cb 0.00 0.17 -0.14 0.00 1.07 0.00 0.00 27.48 28.58 3bg1 h GLN 541 CO -0.01 -0.49 0.13 0.00 -2.65 0.00 0.00 178.83 175.81 3bg1 h ALA 542 N -1.56 1.08 -0.86 3.38 0.00 -0.46 0.66 119.26 121.51 3bg1 h ALA 542 Ca -0.08 0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3bg1 h ALA 542 Cb 0.58 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 3bg1 h ALA 542 CO 0.13 -0.46 0.50 1.25 0.00 0.00 0.00 179.25 180.67 3bg1 h LEU 543 N 0.16 0.71 0.00 0.00 5.85 -0.90 -1.08 115.31 120.05 3bg1 h LEU 543 Ca 0.50 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 59.16 3bg1 h LEU 543 Cb 0.97 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.93 3bg1 h LEU 543 CO -0.68 0.39 -0.43 0.50 -0.34 0.00 0.00 178.44 177.88 3bg1 h LYS 544 N 0.81 0.29 -0.93 1.25 3.64 -0.52 -0.29 116.57 120.82 3bg1 h LYS 544 Ca 0.42 -0.31 0.25 0.00 -1.27 0.00 0.00 60.65 59.73 3bg1 h LYS 544 Cb 0.41 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.19 3bg1 h LYS 544 CO -0.26 1.02 0.44 -0.44 -2.27 0.00 0.00 179.45 177.93 3bg1 h ASP 545 N -0.31 0.37 -0.44 4.20 3.32 -1.22 1.05 116.42 123.39 3bg1 h ASP 545 Ca -0.05 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3bg1 h ASP 545 Cb 1.17 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 3bg1 h ASP 545 CO 0.09 -0.04 0.25 -0.09 -1.72 0.00 0.00 179.24 177.73 3bg1 h ARG 546 N 0.38 0.60 0.43 3.56 9.65 -1.06 0.36 114.38 128.30 3bg1 h ARG 546 Ca 0.61 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.40 3bg1 h ARG 546 Cb 1.22 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3bg1 h ARG 546 CO -0.56 0.47 -0.21 -0.92 2.80 0.00 0.00 179.97 181.55 3bg1 h TYR 547 N 0.57 -0.54 -0.50 2.20 3.20 0.26 -2.52 116.97 119.65 3bg1 h TYR 547 Ca 0.15 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.07 3bg1 h TYR 547 Cb 0.03 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3bg1 h TYR 547 CO -0.03 -0.26 0.33 0.93 -1.64 0.00 0.00 178.16 177.50 3bg1 h GLU 548 N -0.74 0.44 -0.86 1.82 5.08 0.40 -2.82 114.58 117.91 3bg1 h GLU 548 Ca -0.06 -0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.47 3bg1 h GLU 548 Cb 0.52 -0.10 -0.16 0.00 0.50 0.00 0.00 28.75 29.52 3bg1 h GLU 548 CO 0.10 0.29 -0.06 0.78 -1.00 0.00 0.00 179.01 179.12 3bg1 h GLY 549 N 0.45 0.89 0.93 -3.84 0.00 0.19 -2.40 103.07 99.28 3bg1 h GLY 549 Ca 0.22 0.18 -0.27 0.00 0.00 0.00 0.00 47.33 47.45 3bg1 h GLY 549 CO -0.06 -0.36 -1.21 3.43 0.00 0.00 0.00 176.54 178.34 3bg1 h ASN 550 N 0.05 0.63 -1.48 0.19 2.35 -1.53 -3.28 115.58 112.50 3bg1 h ASN 550 Ca 0.47 -0.93 0.44 0.00 -0.55 0.00 0.00 56.30 55.72 3bg1 h ASN 550 Cb 0.84 -0.21 -0.08 0.00 0.05 0.00 0.00 38.32 38.92 3bg1 h ASN 550 CO -0.81 1.58 1.05 0.22 -1.65 0.00 0.00 177.43 177.81 3bg1 h TYR 551 N -0.12 0.13 -0.00 1.19 3.20 -1.42 -3.53 116.97 116.42 3bg1 h TYR 551 Ca -0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.66 3bg1 h TYR 551 Cb 1.91 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 40.14 3bg1 h TYR 551 CO 0.16 -0.03 0.00 1.28 -1.64 0.00 0.00 178.16 177.93