#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gd3 s SER 129 N 0.00 -0.10 -0.00 3.54 1.04 -0.33 -4.89 113.70 112.96 3gd3 s SER 129 Ca 0.00 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.14 3gd3 s SER 129 Cb 0.00 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 3gd3 s SER 129 CO 0.00 -0.65 -0.11 -2.28 0.98 0.00 0.00 173.24 171.18 3gd3 s HIS 130 N -2.73 1.01 -0.05 5.02 2.46 -1.26 -0.74 115.29 118.99 3gd3 s HIS 130 Ca 0.15 -0.22 -0.05 0.00 0.47 0.00 0.00 55.06 55.42 3gd3 s HIS 130 Cb 0.01 -0.64 0.01 0.00 -0.13 0.00 0.00 32.58 31.83 3gd3 s HIS 130 CO 0.00 -0.01 0.14 0.54 -2.47 0.00 0.00 174.74 172.94 3gd3 s VAL 131 N -0.37 0.00 -0.07 0.89 0.11 -0.85 -4.93 120.40 115.18 3gd3 s VAL 131 Ca 0.03 -0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.84 3gd3 s VAL 131 Cb -0.05 -0.20 -0.20 0.00 -1.53 0.00 0.00 36.38 34.40 3gd3 s VAL 131 CO -0.00 -0.00 0.93 -0.65 -3.33 0.00 0.00 175.10 172.05 3gd3 h PRO 132 N 5.93 -0.06 -4.63 1.54 0.11 -1.83 -3.29 132.00 129.76 3gd3 h PRO 132 Ca -0.25 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.16 3gd3 h PRO 132 Cb 1.20 0.01 -0.25 0.00 0.11 0.00 0.00 31.00 32.07 3gd3 h PRO 132 CO 0.42 0.55 -0.54 -0.06 -0.21 0.00 0.00 178.00 178.17 3gd3 s PHE 133 N -3.22 3.23 -0.06 0.65 0.40 -1.07 -1.57 117.98 116.34 3gd3 s PHE 133 Ca -0.15 -1.01 0.06 0.00 -0.60 0.00 0.00 56.93 55.22 3gd3 s PHE 133 Cb -0.00 -2.39 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 3gd3 s PHE 133 CO 0.59 -0.64 -0.24 -1.17 0.70 0.00 0.00 175.22 174.46 3gd3 s LEU 134 N 1.53 2.05 -0.03 -0.37 2.96 -1.08 -0.14 118.68 123.59 3gd3 s LEU 134 Ca 0.02 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 3gd3 s LEU 134 Cb -0.19 -1.33 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 3gd3 s LEU 134 CO 0.06 0.23 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.42 3gd3 s LEU 135 N -0.09 1.89 -0.21 -0.68 1.43 -0.56 -2.15 118.68 118.31 3gd3 s LEU 135 Ca -0.05 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 3gd3 s LEU 135 Cb -0.14 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 3gd3 s LEU 135 CO 0.04 0.13 0.07 -0.63 0.23 0.00 0.00 176.35 176.18 3gd3 s ILE 136 N 0.03 4.63 0.00 -0.59 1.01 0.15 -2.08 121.20 124.34 3gd3 s ILE 136 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3gd3 s ILE 136 Cb -0.09 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.26 3gd3 s ILE 136 CO 0.01 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3gd3 n GLY 137 N 4.07 -1.30 2.36 6.18 0.00 -0.80 -0.82 105.19 114.88 3gd3 n GLY 137 Ca -0.16 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 3gd3 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 138 N 1.05 5.88 0.00 -0.02 0.00 -1.23 -4.50 105.19 106.37 3gd3 n GLY 138 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 46.02 43.68 3gd3 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 139 N -0.88 1.88 0.36 -0.02 0.00 -1.26 -4.16 105.19 101.11 3gd3 n GLY 139 Ca 0.62 -1.90 0.01 0.00 0.00 0.00 0.00 46.02 44.74 3gd3 n GLY 139 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gd3 h THR 140 N 0.00 1.19 0.01 2.61 2.02 -1.94 -2.02 112.91 114.77 3gd3 h THR 140 Ca 0.00 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 3gd3 h THR 140 Cb 0.00 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.44 3gd3 h THR 140 CO 0.00 0.20 -0.33 0.00 0.37 0.00 0.00 175.52 175.75 3gd3 h ALA 141 N 1.50 0.03 -0.09 6.16 0.00 -1.90 -2.82 119.26 122.14 3gd3 h ALA 141 Ca 0.30 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3gd3 h ALA 141 Cb -0.09 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3gd3 h ALA 141 CO -0.07 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.29 3gd3 h ALA 142 N 0.25 0.05 -0.78 0.00 0.00 -1.77 -1.25 119.26 115.75 3gd3 h ALA 142 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gd3 h ALA 142 Cb 1.10 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3gd3 h ALA 142 CO 0.07 -0.50 0.46 0.35 0.00 0.00 0.00 179.25 179.63 3gd3 h PHE 143 N -0.02 1.03 -0.62 0.00 3.57 -1.48 0.10 116.94 119.52 3gd3 h PHE 143 Ca 0.05 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3gd3 h PHE 143 Cb 0.10 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 3gd3 h PHE 143 CO -0.16 0.69 0.12 0.00 -2.23 0.00 0.00 178.31 176.73 3gd3 h ALA 144 N 1.43 0.82 -0.46 2.41 0.00 -1.19 -1.40 119.26 120.87 3gd3 h ALA 144 Ca 0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3gd3 h ALA 144 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3gd3 h ALA 144 CO -0.05 0.56 0.12 0.00 0.00 0.00 0.00 179.25 179.88 3gd3 h ALA 145 N 1.03 0.61 -0.97 0.00 0.00 -0.92 -1.27 119.26 117.74 3gd3 h ALA 145 Ca 0.19 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.05 3gd3 h ALA 145 Cb 0.41 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3gd3 h ALA 145 CO 0.01 0.29 0.58 0.00 0.00 0.00 0.00 179.25 180.13 3gd3 h ALA 146 N 0.98 1.51 -0.04 0.00 0.00 -0.41 0.48 119.26 121.78 3gd3 h ALA 146 Ca 0.15 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3gd3 h ALA 146 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gd3 h ALA 146 CO 0.00 0.07 -0.65 -0.09 0.00 0.00 0.00 179.25 178.58 3gd3 h ARG 147 N 0.84 0.15 -0.26 0.00 2.43 -1.07 -3.20 114.38 113.27 3gd3 h ARG 147 Ca 0.51 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.46 3gd3 h ARG 147 Cb 0.65 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3gd3 h ARG 147 CO -0.32 0.75 -0.27 1.03 -1.51 0.00 0.00 179.97 179.65 3gd3 h SER 148 N 0.11 0.68 0.44 -3.80 0.87 0.11 -2.37 113.55 109.58 3gd3 h SER 148 Ca -0.01 -0.48 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 3gd3 h SER 148 Cb 1.17 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 3gd3 h SER 148 CO 0.10 1.02 -0.21 0.40 -0.53 0.00 0.00 176.83 177.60 3gd3 h ILE 149 N 0.35 0.42 -0.75 2.23 2.04 -0.94 -2.75 117.51 118.11 3gd3 h ILE 149 Ca 0.04 -0.52 0.12 0.00 1.00 0.00 0.00 64.86 65.50 3gd3 h ILE 149 Cb 0.83 0.61 -0.12 0.00 -0.74 0.00 0.00 36.82 37.40 3gd3 h ILE 149 CO 0.07 0.07 -0.28 0.54 0.00 0.00 0.00 178.15 178.55 3gd3 n ARG 150 N -5.21 -0.16 -0.23 2.37 5.12 -1.21 0.52 116.66 117.86 3gd3 n ARG 150 Ca -0.10 1.15 0.03 0.00 -1.93 0.00 0.00 57.85 57.00 3gd3 n ARG 150 Cb 0.30 -1.71 0.15 0.00 -1.16 0.00 0.00 32.46 30.03 3gd3 n ARG 150 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gd3 h ALA 151 N 1.10 0.85 0.03 7.54 0.00 -1.26 -3.07 119.26 124.44 3gd3 h ALA 151 Ca 0.27 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 55.17 3gd3 h ALA 151 Cb 0.46 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3gd3 h ALA 151 CO -0.75 -0.31 -0.83 0.00 0.00 0.00 0.00 179.25 177.37 3gd3 h ARG 152 N 0.28 0.05 -3.49 0.00 3.08 -0.57 -3.41 114.38 110.33 3gd3 h ARG 152 Ca 0.37 -0.09 -0.72 0.00 0.07 0.00 0.00 59.98 59.60 3gd3 h ARG 152 Cb 0.58 0.03 -0.33 0.00 0.08 0.00 0.00 29.97 30.33 3gd3 h ARG 152 CO -0.45 1.04 -0.12 0.34 -1.07 0.00 0.00 179.97 179.72 3gd3 s ASP 153 N -6.66 5.94 -0.28 7.04 -1.08 0.18 -5.05 116.67 116.76 3gd3 s ASP 153 Ca -0.23 -3.28 -0.29 0.00 -0.52 0.00 0.00 52.55 48.23 3gd3 s ASP 153 Cb 0.02 -1.96 0.01 0.00 -1.46 0.00 0.00 42.92 39.54 3gd3 s ASP 153 CO 0.67 -0.31 1.13 -2.16 0.52 0.00 0.00 175.17 175.02 3gd3 s PRO 154 N -0.70 4.10 0.00 4.34 0.05 -1.16 -1.32 135.00 140.31 3gd3 s PRO 154 Ca 0.23 1.24 0.00 0.00 0.05 0.00 0.00 61.00 62.51 3gd3 s PRO 154 Cb -0.12 -3.75 0.00 0.00 0.05 0.00 0.00 34.50 30.68 3gd3 s PRO 154 CO -0.08 -0.86 0.00 0.41 0.05 0.00 0.00 177.00 176.51 3gd3 n GLY 155 N 3.81 1.07 3.75 0.56 0.00 -1.24 -4.97 105.19 108.18 3gd3 n GLY 155 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3gd3 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gd3 s ALA 156 N -2.00 3.41 -0.46 4.61 0.00 -0.43 -3.37 121.76 123.51 3gd3 s ALA 156 Ca 0.00 0.89 -0.21 0.00 0.00 0.00 0.00 51.96 52.64 3gd3 s ALA 156 Cb 0.00 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.81 3gd3 s ALA 156 CO 0.00 -0.19 0.69 1.03 0.00 0.00 0.00 175.76 177.28 3gd3 s ARG 157 N -1.16 3.27 -0.14 0.00 0.52 -1.26 -2.37 118.95 117.81 3gd3 s ARG 157 Ca 0.46 -0.42 -0.03 0.00 -0.52 0.00 0.00 55.73 55.22 3gd3 s ARG 157 Cb -0.32 -3.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.14 3gd3 s ARG 157 CO 0.40 -1.11 -0.04 0.08 0.02 0.00 0.00 175.30 174.65 3gd3 s VAL 158 N 2.95 3.88 -0.13 3.52 1.01 -0.18 -2.60 120.40 128.86 3gd3 s VAL 158 Ca 0.23 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3gd3 s VAL 158 Cb -0.15 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.58 3gd3 s VAL 158 CO 0.18 0.52 -0.13 -0.22 0.00 0.00 0.00 175.10 175.45 3gd3 s LEU 159 N 0.10 1.61 -0.17 3.92 2.96 0.80 -0.29 118.68 127.62 3gd3 s LEU 159 Ca -0.01 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 3gd3 s LEU 159 Cb -0.14 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 3gd3 s LEU 159 CO 0.03 -0.04 0.18 -0.63 -1.32 0.00 0.00 176.35 174.57 3gd3 s ILE 160 N 1.36 5.39 -0.16 6.68 1.01 -0.16 -1.49 121.20 133.83 3gd3 s ILE 160 Ca 0.01 0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.90 3gd3 s ILE 160 Cb -0.13 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3gd3 s ILE 160 CO -0.07 0.47 0.08 -0.69 0.00 0.00 0.00 174.94 174.73 3gd3 s VAL 161 N 0.06 4.99 -0.04 2.92 1.01 -0.88 0.92 120.40 129.38 3gd3 s VAL 161 Ca 0.12 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3gd3 s VAL 161 Cb -0.12 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3gd3 s VAL 161 CO 0.01 0.51 -0.02 -0.55 0.00 0.00 0.00 175.10 175.06 3gd3 s SER 162 N -0.11 0.67 0.15 3.32 0.15 -0.78 -1.90 113.70 115.20 3gd3 s SER 162 Ca 0.08 -0.06 -0.25 0.00 0.70 0.00 0.00 55.95 56.41 3gd3 s SER 162 Cb -0.12 -0.31 0.01 0.00 -1.71 0.00 0.00 66.02 63.89 3gd3 s SER 162 CO 0.01 -0.09 1.60 -0.33 1.20 0.00 0.00 173.24 175.63 3gd3 h GLU 163 N 7.29 -0.33 -6.83 5.44 5.08 -1.69 -0.30 114.58 123.24 3gd3 h GLU 163 Ca -0.39 0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.42 3gd3 h GLU 163 Cb 1.14 0.08 0.14 0.00 0.50 0.00 0.00 28.75 30.61 3gd3 h GLU 163 CO 0.46 -0.22 0.32 -0.25 -1.00 0.00 0.00 179.01 178.32 3gd3 n ASP 164 N -5.41 1.73 -0.40 1.42 9.92 -1.26 -3.64 116.55 118.90 3gd3 n ASP 164 Ca -0.01 0.97 0.06 0.00 -0.53 0.00 0.00 54.79 55.28 3gd3 n ASP 164 Cb 0.33 -1.45 0.23 0.00 -0.64 0.00 0.00 41.12 39.60 3gd3 n ASP 164 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 3gd3 n PRO 165 N -0.48 1.51 -4.03 -0.24 -0.04 -1.26 -2.84 135.00 127.62 3gd3 n PRO 165 Ca 0.10 -0.78 -0.28 0.00 -0.04 0.00 0.00 63.50 62.50 3gd3 n PRO 165 Cb 0.43 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 3gd3 n PRO 165 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gd3 s GLU 166 N -1.76 3.03 0.17 0.54 0.41 -1.26 -4.89 118.70 114.94 3gd3 s GLU 166 Ca 0.21 -0.72 -0.27 0.00 -0.41 0.00 0.00 54.97 53.79 3gd3 s GLU 166 Cb 0.11 -2.77 -0.08 0.00 -1.78 0.00 0.00 34.13 29.62 3gd3 s GLU 166 CO 0.16 0.53 0.84 -0.51 -0.49 0.00 0.00 175.26 175.79 3gd3 s LEU 167 N -2.79 4.58 -0.27 1.80 1.43 -1.26 -4.91 118.68 117.26 3gd3 s LEU 167 Ca 0.31 1.72 -0.42 0.00 -1.03 0.00 0.00 54.13 54.71 3gd3 s LEU 167 Cb -0.11 -3.41 -0.19 0.00 0.03 0.00 0.00 46.19 42.51 3gd3 s LEU 167 CO 0.24 0.14 1.32 -2.65 0.23 0.00 0.00 176.35 175.63 3gd3 n PRO 168 N 1.84 0.00 -4.18 1.29 -0.02 -1.26 -4.71 135.00 127.96 3gd3 n PRO 168 Ca -0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.32 3gd3 n PRO 168 Cb 0.48 -1.45 -0.10 0.00 -0.02 0.00 0.00 33.50 32.42 3gd3 n PRO 168 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3gd3 s TYR 169 N 1.62 1.00 0.71 6.00 -0.85 -1.26 -0.74 117.35 123.82 3gd3 s TYR 169 Ca 0.95 -0.78 -0.11 0.00 -0.52 0.00 0.00 57.07 56.61 3gd3 s TYR 169 Cb -1.35 -0.55 0.02 0.00 0.38 0.00 0.00 41.96 40.46 3gd3 s TYR 169 CO 0.68 -0.06 1.07 0.00 -1.52 0.00 0.00 175.55 175.72 3gd3 s MET 170 N -3.37 2.79 -0.16 -3.49 0.00 -1.05 -4.53 119.30 109.49 3gd3 s MET 170 Ca 0.10 0.94 0.08 0.00 0.00 0.00 0.00 55.69 56.80 3gd3 s MET 170 Cb 0.01 -1.97 -0.15 0.00 0.00 0.00 0.00 34.83 32.72 3gd3 s MET 170 CO -0.02 -1.20 -0.04 0.54 0.00 0.00 0.00 175.02 174.29 3gd3 n ARG 171 N -3.20 1.16 -0.34 3.16 1.74 -1.26 -4.74 116.66 113.18 3gd3 n ARG 171 Ca 0.08 0.04 0.22 0.00 -0.77 0.00 0.00 57.85 57.42 3gd3 n ARG 171 Cb 0.54 -1.36 0.48 0.00 -1.02 0.00 0.00 32.46 31.10 3gd3 n ARG 171 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3gd3 h PRO 172 N 0.00 0.42 -0.11 5.56 0.11 -1.98 -1.03 132.00 134.96 3gd3 h PRO 172 Ca -0.39 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.73 3gd3 h PRO 172 Cb 1.75 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.77 3gd3 h PRO 172 CO -0.02 0.27 0.09 -1.35 -0.21 0.00 0.00 178.00 176.79 3gd3 h PRO 173 N 0.43 0.00 -0.18 1.05 0.11 -1.95 -2.94 132.00 128.51 3gd3 h PRO 173 Ca 0.64 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.73 3gd3 h PRO 173 Cb 1.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.60 3gd3 h PRO 173 CO -0.38 0.00 0.02 -0.07 -0.21 0.00 0.00 178.00 177.36 3gd3 h LEU 174 N 0.00 0.23 -2.94 2.35 3.38 -1.51 -0.97 115.31 115.85 3gd3 h LEU 174 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gd3 h LEU 174 Cb 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3gd3 h LEU 174 CO -0.00 0.26 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 3gd3 n SER 175 N -4.41 4.23 0.00 -0.43 3.41 -1.11 -4.81 113.62 110.50 3gd3 n SER 175 Ca -0.00 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 3gd3 n SER 175 Cb 0.16 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3gd3 n SER 175 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gd3 n LYS 176 N 1.29 0.00 0.23 4.33 5.02 -0.43 -4.23 118.16 124.37 3gd3 n LYS 176 Ca 0.24 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.71 3gd3 n LYS 176 Cb 0.73 0.00 0.84 0.00 -0.02 0.00 0.00 35.03 36.58 3gd3 n LYS 176 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gd3 h GLU 177 N 0.00 0.00 0.00 1.97 3.07 -1.80 0.35 114.58 118.17 3gd3 h GLU 177 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gd3 h GLU 177 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3gd3 h GLU 177 CO 0.00 0.00 -0.02 -0.07 -1.40 0.00 0.00 179.01 177.52 3gd3 h LEU 178 N 0.00 0.00 0.00 1.33 3.38 -1.70 -2.26 115.31 116.06 3gd3 h LEU 178 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gd3 h LEU 178 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3gd3 h LEU 178 CO -0.00 0.02 -0.24 0.79 0.09 0.00 0.00 178.44 179.10 3gd3 n TRP 179 N -3.13 0.27 -0.03 1.13 7.02 0.12 -4.25 117.44 118.57 3gd3 n TRP 179 Ca 0.00 0.08 0.10 0.00 -1.02 0.00 0.00 57.50 56.65 3gd3 n TRP 179 Cb 0.28 -0.54 0.22 0.00 -2.42 0.00 0.00 31.31 28.85 3gd3 n TRP 179 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3gd3 n PHE 180 N -1.74 0.60 -3.48 -5.99 3.01 -0.85 -4.93 117.46 104.08 3gd3 n PHE 180 Ca 0.06 -0.38 -0.36 0.00 1.01 0.00 0.00 57.45 57.78 3gd3 n PHE 180 Cb 0.37 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.78 3gd3 n PHE 180 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3gd3 s SER 181 N -1.15 6.75 -0.19 4.37 0.15 -1.25 -4.99 113.70 117.40 3gd3 s SER 181 Ca 0.35 0.94 0.16 0.00 0.70 0.00 0.00 55.95 58.11 3gd3 s SER 181 Cb 0.20 -2.24 0.78 0.00 -1.71 0.00 0.00 66.02 63.05 3gd3 s SER 181 CO 0.26 0.19 1.70 0.47 1.20 0.00 0.00 173.24 177.06 3gd3 n ASP 182 N 1.09 5.35 -4.37 5.45 8.00 -1.26 -4.87 116.55 125.93 3gd3 n ASP 182 Ca -0.08 -2.73 -0.35 0.00 0.71 0.00 0.00 54.79 52.33 3gd3 n ASP 182 Cb 0.52 -0.64 -0.13 0.00 -0.02 0.00 0.00 41.12 40.84 3gd3 n ASP 182 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gd3 s ASP 183 N -0.85 4.61 0.14 -2.24 2.15 -1.26 -5.01 116.67 114.21 3gd3 s ASP 183 Ca 0.53 -0.31 -0.11 0.00 0.43 0.00 0.00 52.55 53.10 3gd3 s ASP 183 Cb 0.38 -1.80 -0.03 0.00 -0.30 0.00 0.00 42.92 41.17 3gd3 s ASP 183 CO 0.20 -0.01 1.49 1.55 -0.17 0.00 0.00 175.17 178.23 3gd3 h PRO 184 N 8.02 0.94 0.00 4.34 0.13 -2.03 -2.87 132.00 140.53 3gd3 h PRO 184 Ca -0.39 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 3gd3 h PRO 184 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3gd3 h PRO 184 CO 0.60 1.13 0.00 0.09 -0.23 0.00 0.00 178.00 179.59 3gd3 n ASN 185 N -4.09 0.00 0.12 1.44 3.02 -1.26 -0.15 115.26 114.34 3gd3 n ASN 185 Ca -0.02 -0.18 0.11 0.00 -0.03 0.00 0.00 54.58 54.46 3gd3 n ASN 185 Cb 0.52 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.72 3gd3 n ASN 185 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3gd3 h VAL 186 N 0.00 0.04 0.00 2.41 2.07 -1.85 -0.94 116.25 117.98 3gd3 h VAL 186 Ca 0.00 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 3gd3 h VAL 186 Cb 0.00 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3gd3 h VAL 186 CO 0.00 0.02 -0.21 0.00 0.02 0.00 0.00 177.57 177.41 3gd3 h THR 187 N 0.00 0.84 0.00 2.57 1.03 -0.72 -2.32 112.91 114.31 3gd3 h THR 187 Ca -0.01 -0.80 0.00 0.00 -0.01 0.00 0.00 66.41 65.60 3gd3 h THR 187 Cb 1.03 1.47 0.00 0.00 -1.07 0.00 0.00 68.15 69.59 3gd3 h THR 187 CO 0.00 0.20 0.00 0.29 -0.01 0.00 0.00 175.52 176.00 3gd3 n LYS 188 N -3.85 0.00 0.28 0.00 5.02 -1.14 -4.51 118.16 113.96 3gd3 n LYS 188 Ca -0.02 0.38 0.15 0.00 -2.02 0.00 0.00 58.31 56.80 3gd3 n LYS 188 Cb 0.30 -0.88 0.83 0.00 -0.02 0.00 0.00 35.03 35.27 3gd3 n LYS 188 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3gd3 h THR 189 N 0.00 0.43 -0.46 -0.18 1.35 -1.28 -3.46 112.91 109.31 3gd3 h THR 189 Ca 0.00 -0.35 -0.20 0.00 -0.55 0.00 0.00 66.41 65.31 3gd3 h THR 189 Cb 0.00 1.24 -0.08 0.00 -1.73 0.00 0.00 68.15 67.59 3gd3 h THR 189 CO 0.00 0.07 -0.18 0.18 -0.25 0.00 0.00 175.52 175.34 3gd3 n LEU 190 N -3.55 -0.19 -4.53 3.87 4.32 -0.87 -4.85 117.00 111.19 3gd3 n LEU 190 Ca -0.02 0.24 -0.42 0.00 -0.02 0.00 0.00 56.01 55.80 3gd3 n LEU 190 Cb 0.19 -2.64 -0.03 0.00 -1.62 0.00 0.00 43.42 39.32 3gd3 n LEU 190 CO 0.28 -1.03 1.16 -1.10 -1.22 0.00 0.00 177.39 175.48 3gd3 s GLN 191 N -2.80 3.30 0.44 3.23 -1.52 -1.26 -2.27 119.66 118.77 3gd3 s GLN 191 Ca 0.00 -0.65 -0.01 0.00 -1.95 0.00 0.00 55.36 52.74 3gd3 s GLN 191 Cb 0.00 -4.52 -0.02 0.00 -0.22 0.00 0.00 33.01 28.25 3gd3 s GLN 191 CO 0.00 -2.08 0.68 -0.59 -0.25 0.00 0.00 175.29 173.05 3gd3 s PHE 192 N 5.07 3.38 -0.13 0.91 -0.71 0.24 -4.68 117.98 122.05 3gd3 s PHE 192 Ca 0.35 0.43 -0.06 0.00 -1.04 0.00 0.00 56.93 56.61 3gd3 s PHE 192 Cb -0.07 -2.23 -0.04 0.00 -1.21 0.00 0.00 43.02 39.47 3gd3 s PHE 192 CO 0.07 -0.25 0.08 1.03 -1.34 0.00 0.00 175.22 174.81 3gd3 s ARG 193 N -4.57 3.52 0.98 1.99 1.81 -1.26 0.65 118.95 122.07 3gd3 s ARG 193 Ca 0.46 -0.27 -0.16 0.00 -1.72 0.00 0.00 55.73 54.04 3gd3 s ARG 193 Cb -0.10 -3.11 0.22 0.00 -0.45 0.00 0.00 34.95 31.52 3gd3 s ARG 193 CO 0.40 0.58 1.34 -0.65 -0.68 0.00 0.00 175.30 176.29 3gd3 s GLN 194 N -0.50 0.42 0.18 3.54 -0.21 -1.06 -4.78 119.66 117.24 3gd3 s GLN 194 Ca 0.11 -0.55 0.23 0.00 0.02 0.00 0.00 55.36 55.17 3gd3 s GLN 194 Cb -0.12 -1.84 0.90 0.00 1.00 0.00 0.00 33.01 32.94 3gd3 s GLN 194 CO 0.02 -2.54 1.69 0.91 -2.12 0.00 0.00 175.29 173.25 3gd3 n TRP 195 N -3.82 0.62 1.04 0.91 7.02 -1.26 -1.09 117.44 120.86 3gd3 n TRP 195 Ca 0.17 0.23 0.11 0.00 -1.02 0.00 0.00 57.50 56.99 3gd3 n TRP 195 Cb 0.59 -0.87 0.05 0.00 -2.42 0.00 0.00 31.31 28.66 3gd3 n TRP 195 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 3gd3 n ASN 196 N -2.05 1.47 0.00 -0.99 6.94 -1.26 -4.92 115.26 114.45 3gd3 n ASN 196 Ca 0.03 -1.18 0.00 0.00 -0.02 0.00 0.00 54.58 53.42 3gd3 n ASN 196 Cb 0.26 0.53 0.00 0.00 -2.36 0.00 0.00 39.78 38.21 3gd3 n ASN 196 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gd3 n GLY 197 N 1.43 0.61 3.71 4.83 0.00 -0.25 -5.04 105.19 110.48 3gd3 n GLY 197 Ca 0.08 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3gd3 n GLY 197 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gd3 s LYS 198 N -0.77 4.35 0.77 1.61 2.20 -1.26 -4.72 119.74 121.92 3gd3 s LYS 198 Ca 0.00 0.65 -0.17 0.00 -0.36 0.00 0.00 55.97 56.09 3gd3 s LYS 198 Cb 0.00 -3.47 -0.12 0.00 -1.51 0.00 0.00 37.83 32.73 3gd3 s LYS 198 CO 0.00 0.03 -0.22 -1.91 -0.36 0.00 0.00 175.35 172.89 3gd3 n GLU 199 N 4.04 0.04 -3.64 4.03 4.07 -1.26 -2.58 120.64 125.34 3gd3 n GLU 199 Ca -0.04 0.03 -0.06 0.00 -0.06 0.00 0.00 57.16 57.03 3gd3 n GLU 199 Cb 0.51 -1.23 -0.07 0.00 -0.06 0.00 0.00 31.44 30.60 3gd3 n GLU 199 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 3gd3 s ARG 200 N -1.92 0.60 0.42 5.31 3.52 0.21 -4.83 118.95 122.25 3gd3 s ARG 200 Ca 0.52 1.03 -0.26 0.00 -0.13 0.00 0.00 55.73 56.89 3gd3 s ARG 200 Cb -0.33 0.12 -0.09 0.00 -1.56 0.00 0.00 34.95 33.10 3gd3 s ARG 200 CO 0.71 -0.13 1.32 0.45 -0.81 0.00 0.00 175.30 176.85 3gd3 s SER 201 N 1.50 6.21 0.10 -2.12 0.15 -1.26 -0.59 113.70 117.69 3gd3 s SER 201 Ca -0.09 2.70 -0.14 0.00 0.70 0.00 0.00 55.95 59.11 3gd3 s SER 201 Cb -0.05 -2.64 -0.09 0.00 -1.71 0.00 0.00 66.02 61.53 3gd3 s SER 201 CO -0.18 -0.92 1.40 -0.29 1.20 0.00 0.00 173.24 174.45 3gd3 h ILE 202 N 2.41 1.30 -3.95 6.45 2.10 -1.78 -3.46 117.51 120.57 3gd3 h ILE 202 Ca -0.50 -1.56 -0.53 0.00 1.08 0.00 0.00 64.86 63.35 3gd3 h ILE 202 Cb 1.25 1.65 0.09 0.00 -1.09 0.00 0.00 36.82 38.72 3gd3 h ILE 202 CO 0.62 0.50 0.63 -0.31 -1.08 0.00 0.00 178.15 178.51 3gd3 s TYR 203 N -4.24 2.75 0.26 2.19 2.02 -1.26 -2.52 117.35 116.55 3gd3 s TYR 203 Ca -0.12 1.38 -0.02 0.00 -0.37 0.00 0.00 57.07 57.93 3gd3 s TYR 203 Cb 0.09 -3.73 0.42 0.00 -0.40 0.00 0.00 41.96 38.34 3gd3 s TYR 203 CO 0.84 -2.27 1.87 0.74 -1.57 0.00 0.00 175.55 175.16 3gd3 h PHE 204 N 2.63 1.16 -3.80 2.71 0.04 -1.22 -3.44 116.94 115.02 3gd3 h PHE 204 Ca -0.50 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.20 3gd3 h PHE 204 Cb 1.25 -0.38 -0.15 0.00 2.20 0.00 0.00 35.95 38.87 3gd3 h PHE 204 CO 0.53 0.57 -0.43 -0.65 -0.60 0.00 0.00 178.31 177.72 3gd3 s GLN 205 N -6.03 0.75 0.98 1.51 -1.52 -1.26 -5.09 119.66 108.99 3gd3 s GLN 205 Ca -0.12 -0.89 -0.13 0.00 -1.95 0.00 0.00 55.36 52.27 3gd3 s GLN 205 Cb 0.20 0.30 0.08 0.00 -0.22 0.00 0.00 33.01 33.37 3gd3 s GLN 205 CO 0.81 -0.22 0.55 -2.30 -0.25 0.00 0.00 175.29 173.88 3gd3 n PRO 206 N 0.24 -0.64 0.14 2.91 -0.02 -1.26 -4.91 135.00 131.47 3gd3 n PRO 206 Ca -0.16 -0.14 0.01 0.00 -2.02 0.00 0.00 63.50 61.19 3gd3 n PRO 206 Cb 0.61 -1.96 0.14 0.00 -0.02 0.00 0.00 33.50 32.26 3gd3 n PRO 206 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gd3 h PRO 207 N -1.77 0.00 0.00 0.52 0.11 -1.99 -3.06 132.00 125.82 3gd3 h PRO 207 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gd3 h PRO 207 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3gd3 h PRO 207 CO 0.37 0.56 -0.00 0.66 -0.21 0.00 0.00 178.00 179.38 3gd3 h SER 208 N 0.00 0.00 -0.52 -2.05 4.64 -2.03 0.31 113.55 113.89 3gd3 h SER 208 Ca -0.01 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3gd3 h SER 208 Cb 1.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 3gd3 h SER 208 CO 0.07 0.00 0.35 0.15 -0.87 0.00 0.00 176.83 176.54 3gd3 h PHE 209 N 0.00 0.37 -4.46 4.77 3.57 -1.89 -3.43 116.94 115.87 3gd3 h PHE 209 Ca -0.00 0.01 -0.48 0.00 3.53 0.00 0.00 57.97 61.03 3gd3 h PHE 209 Cb 0.23 -0.12 0.10 0.00 2.79 0.00 0.00 35.95 38.94 3gd3 h PHE 209 CO 0.00 0.19 0.38 0.71 -2.23 0.00 0.00 178.31 177.36 3gd3 s TYR 210 N -5.34 2.95 0.16 0.41 2.02 0.10 -4.74 117.35 112.90 3gd3 s TYR 210 Ca -0.07 0.91 0.10 0.00 -0.37 0.00 0.00 57.07 57.64 3gd3 s TYR 210 Cb 0.19 -3.31 -0.04 0.00 -0.40 0.00 0.00 41.96 38.40 3gd3 s TYR 210 CO 0.74 -1.73 -0.23 0.14 -1.57 0.00 0.00 175.55 172.90 3gd3 s VAL 211 N -3.40 2.15 0.94 0.71 -7.23 0.21 -4.97 120.40 108.81 3gd3 s VAL 211 Ca 0.61 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.78 3gd3 s VAL 211 Cb -0.12 -1.97 0.16 0.00 0.56 0.00 0.00 36.38 35.01 3gd3 s VAL 211 CO 0.51 -0.10 1.09 -0.94 -0.31 0.00 0.00 175.10 175.35 3gd3 s SER 212 N -2.43 2.95 0.24 4.85 1.04 -1.26 -3.85 113.70 115.24 3gd3 s SER 212 Ca 0.16 1.62 0.13 0.00 0.48 0.00 0.00 55.95 58.35 3gd3 s SER 212 Cb -0.08 -2.27 0.02 0.00 0.10 0.00 0.00 66.02 63.79 3gd3 s SER 212 CO 0.08 -2.99 1.42 0.00 0.98 0.00 0.00 173.24 172.73 3gd3 h ALA 213 N -1.79 0.60 0.14 5.32 0.00 -1.93 -3.09 119.26 118.51 3gd3 h ALA 213 Ca -0.50 -0.58 -0.28 0.00 0.00 0.00 0.00 54.91 53.54 3gd3 h ALA 213 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gd3 h ALA 213 CO 0.51 0.80 -1.41 0.37 0.00 0.00 0.00 179.25 179.53 3gd3 h GLN 214 N 0.00 0.29 0.00 0.00 5.75 -1.99 -3.33 115.11 115.83 3gd3 h GLN 214 Ca -0.01 -0.50 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3gd3 h GLN 214 Cb 1.47 0.18 -0.00 0.00 1.07 0.00 0.00 27.48 30.20 3gd3 h GLN 214 CO 0.08 1.24 -0.00 -0.44 -2.65 0.00 0.00 178.83 177.06 3gd3 h ASP 215 N -0.22 0.00 0.00 -0.69 3.32 -1.96 -3.36 116.42 113.51 3gd3 h ASP 215 Ca -0.29 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.79 3gd3 h ASP 215 Cb 1.82 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.32 3gd3 h ASP 215 CO 0.10 0.00 -0.46 0.25 -1.72 0.00 0.00 179.24 177.41 3gd3 h LEU 216 N 0.00 -1.42 -2.13 1.55 5.85 -1.65 -2.16 115.31 115.34 3gd3 h LEU 216 Ca -0.00 0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3gd3 h LEU 216 Cb 0.16 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3gd3 h LEU 216 CO 0.00 -0.49 0.20 1.55 -0.34 0.00 0.00 178.44 179.36 3gd3 h PRO 217 N -0.62 0.00 -0.07 5.25 0.13 -1.84 -1.27 132.00 133.59 3gd3 h PRO 217 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3gd3 h PRO 217 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3gd3 h PRO 217 CO -0.33 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.53 3gd3 n ASN 218 N -4.10 1.61 0.11 1.44 3.02 -0.85 -4.13 115.26 112.37 3gd3 n ASN 218 Ca 0.03 -1.58 -0.01 0.00 -0.03 0.00 0.00 54.58 52.99 3gd3 n ASN 218 Cb 0.34 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 3gd3 n ASN 218 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gd3 h ILE 219 N 2.39 1.13 -6.20 2.41 2.10 -0.88 -3.48 117.51 114.98 3gd3 h ILE 219 Ca 0.00 -2.61 -0.37 0.00 1.08 0.00 0.00 64.86 62.96 3gd3 h ILE 219 Cb 0.51 2.55 0.00 0.00 -1.09 0.00 0.00 36.82 38.80 3gd3 h ILE 219 CO 0.00 0.64 -0.90 -0.62 -1.08 0.00 0.00 178.15 176.19 3gd3 n GLU 220 N -3.26 -1.29 0.00 2.19 1.02 -1.26 -4.27 120.64 113.78 3gd3 n GLU 220 Ca 0.01 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 3gd3 n GLU 220 Cb 0.81 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 3gd3 n GLU 220 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gd3 n ASN 221 N -1.47 0.00 -1.27 1.62 3.02 -1.26 -5.13 115.26 110.77 3gd3 n ASN 221 Ca -0.21 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.50 3gd3 n ASN 221 Cb 0.55 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 3gd3 n ASN 221 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gd3 n GLY 222 N 0.00 -2.19 0.00 7.41 0.00 -1.22 -3.64 105.19 105.56 3gd3 n GLY 222 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3gd3 n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 223 N -3.96 -1.55 3.27 -0.02 0.00 -1.00 -4.84 105.19 97.09 3gd3 n GLY 223 Ca -0.01 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 3gd3 n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gd3 s VAL 224 N -2.66 3.00 0.13 1.61 1.01 -1.26 -1.01 120.40 121.22 3gd3 s VAL 224 Ca 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3gd3 s VAL 224 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3gd3 s VAL 224 CO 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 175.10 175.52 3gd3 s ALA 225 N 1.28 3.12 -0.21 5.51 0.00 0.60 -0.62 121.76 131.45 3gd3 s ALA 225 Ca 0.03 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 3gd3 s ALA 225 Cb -0.14 -0.98 0.06 0.00 0.00 0.00 0.00 23.12 22.06 3gd3 s ALA 225 CO -0.04 0.59 0.01 0.54 0.00 0.00 0.00 175.76 176.85 3gd3 s VAL 226 N -1.45 0.82 -1.18 0.00 0.11 -1.25 -0.99 120.40 116.45 3gd3 s VAL 226 Ca 0.25 -0.77 -0.10 0.00 -2.93 0.00 0.00 61.98 58.43 3gd3 s VAL 226 Cb -0.10 -1.27 0.23 0.00 -1.53 0.00 0.00 36.38 33.71 3gd3 s VAL 226 CO 0.17 -0.19 1.45 -0.11 -3.33 0.00 0.00 175.10 173.09 3gd3 n LEU 227 N 4.94 5.86 -4.78 2.54 0.00 0.26 -4.75 117.00 121.07 3gd3 n LEU 227 Ca -0.10 -4.81 -0.37 0.00 0.00 0.00 0.00 56.01 50.74 3gd3 n LEU 227 Cb 0.46 -1.48 -0.03 0.00 0.00 0.00 0.00 43.42 42.37 3gd3 n LEU 227 CO 0.14 1.23 0.76 0.42 0.00 0.00 0.00 177.39 179.95 3gd3 s THR 228 N -0.36 3.53 0.00 1.96 -4.23 -1.26 -1.86 115.64 113.42 3gd3 s THR 228 Ca 0.36 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 3gd3 s THR 228 Cb -0.01 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3gd3 s THR 228 CO 0.00 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3gd3 n GLY 229 N 0.35 0.71 3.54 3.99 0.00 -0.15 -4.92 105.19 108.71 3gd3 n GLY 229 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 3gd3 n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gd3 s LYS 230 N -0.42 1.81 -0.09 1.61 -0.14 -1.03 -4.96 119.74 116.53 3gd3 s LYS 230 Ca 0.00 -1.95 -0.04 0.00 -1.36 0.00 0.00 55.97 52.63 3gd3 s LYS 230 Cb 0.00 -1.62 0.04 0.00 -1.68 0.00 0.00 37.83 34.57 3gd3 s LYS 230 CO 0.00 0.10 0.19 0.21 -0.76 0.00 0.00 175.35 175.08 3gd3 s LYS 231 N -3.64 0.12 0.04 1.68 2.20 -1.26 -1.96 119.74 116.92 3gd3 s LYS 231 Ca 0.33 0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 3gd3 s LYS 231 Cb 0.04 -0.16 -0.06 0.00 -1.51 0.00 0.00 37.83 36.14 3gd3 s LYS 231 CO 0.16 -0.19 1.32 0.08 -0.36 0.00 0.00 175.35 176.36 3gd3 s VAL 232 N 1.45 3.77 0.00 4.02 1.01 -1.26 0.16 120.40 129.54 3gd3 s VAL 232 Ca -0.07 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.13 3gd3 s VAL 232 Cb -0.11 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3gd3 s VAL 232 CO -0.07 0.05 0.09 1.33 0.00 0.00 0.00 175.10 176.50 3gd3 n VAL 233 N 4.29 0.00 -3.63 2.92 0.24 -0.26 -4.90 118.33 117.00 3gd3 n VAL 233 Ca 0.11 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.34 61.97 3gd3 n VAL 233 Cb 0.44 1.09 -0.10 0.00 -1.47 0.00 0.00 33.84 33.80 3gd3 n VAL 233 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3gd3 s HIS 234 N -0.50 -0.70 -0.03 6.34 2.46 -1.19 -4.97 115.29 116.70 3gd3 s HIS 234 Ca 0.00 1.33 -0.03 0.00 0.47 0.00 0.00 55.06 56.83 3gd3 s HIS 234 Cb 0.00 0.19 -0.04 0.00 -0.13 0.00 0.00 32.58 32.60 3gd3 s HIS 234 CO 0.00 -0.47 0.14 -1.17 -2.47 0.00 0.00 174.74 170.78 3gd3 s LEU 235 N 2.56 4.23 -0.32 8.88 2.96 -1.26 -0.53 118.68 135.20 3gd3 s LEU 235 Ca 0.00 0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 3gd3 s LEU 235 Cb -0.12 -2.42 0.11 0.00 0.50 0.00 0.00 46.19 44.25 3gd3 s LEU 235 CO -0.12 0.29 0.14 -0.62 -1.32 0.00 0.00 176.35 174.72 3gd3 s ASP 236 N -1.72 3.60 0.09 3.68 3.68 -0.76 -3.09 116.67 122.15 3gd3 s ASP 236 Ca 0.24 -1.62 -0.18 0.00 2.13 0.00 0.00 52.55 53.12 3gd3 s ASP 236 Cb -0.12 -0.55 -0.08 0.00 -1.45 0.00 0.00 42.92 40.71 3gd3 s ASP 236 CO 0.15 -0.40 1.50 0.58 0.13 0.00 0.00 175.17 177.13 3gd3 h VAL 237 N 6.14 1.27 -0.40 1.11 2.07 -1.86 0.45 116.25 125.03 3gd3 h VAL 237 Ca -0.13 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.28 3gd3 h VAL 237 Cb 1.00 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3gd3 h VAL 237 CO 0.42 0.32 -0.17 0.03 0.02 0.00 0.00 177.57 178.19 3gd3 h ARG 238 N 0.25 0.82 0.00 1.57 3.08 -1.96 -3.15 114.38 115.00 3gd3 h ARG 238 Ca 0.07 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3gd3 h ARG 238 Cb 0.48 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3gd3 h ARG 238 CO 0.02 0.98 0.00 0.41 -1.07 0.00 0.00 179.97 180.31 3gd3 n GLY 239 N -0.09 -1.13 4.26 0.04 0.00 -1.09 -4.94 105.19 102.23 3gd3 n GLY 239 Ca -0.01 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3gd3 n GLY 239 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gd3 n ASN 240 N -1.14 -3.14 -3.77 1.61 3.02 0.15 -4.94 115.26 107.04 3gd3 n ASN 240 Ca 0.19 -1.04 -0.13 0.00 -0.03 0.00 0.00 54.58 53.57 3gd3 n ASN 240 Cb 0.17 -2.63 -0.09 0.00 -0.61 0.00 0.00 39.78 36.62 3gd3 n ASN 240 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gd3 s MET 241 N -6.97 0.60 0.68 3.52 0.23 -1.11 -0.93 119.30 115.32 3gd3 s MET 241 Ca 0.75 -0.11 0.02 0.00 -1.03 0.00 0.00 55.69 55.32 3gd3 s MET 241 Cb -0.41 0.27 0.12 0.00 -1.53 0.00 0.00 34.83 33.27 3gd3 s MET 241 CO 0.94 -0.15 0.94 0.14 -2.03 0.00 0.00 175.02 174.86 3gd3 s VAL 242 N -1.09 2.15 -0.08 5.16 -7.23 -0.92 -1.82 120.40 116.56 3gd3 s VAL 242 Ca -0.12 -0.70 -0.01 0.00 -1.81 0.00 0.00 61.98 59.35 3gd3 s VAL 242 Cb -0.05 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.47 3gd3 s VAL 242 CO 0.03 0.00 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.27 3gd3 s LYS 243 N -5.02 0.81 0.64 4.82 1.02 0.31 -3.40 119.74 118.92 3gd3 s LYS 243 Ca 0.65 0.02 -0.13 0.00 0.02 0.00 0.00 55.97 56.53 3gd3 s LYS 243 Cb -0.05 -1.08 -0.02 0.00 -0.52 0.00 0.00 37.83 36.16 3gd3 s LYS 243 CO 0.43 -0.28 1.05 -0.51 -0.92 0.00 0.00 175.35 175.13 3gd3 s LEU 244 N 1.83 3.31 0.41 3.17 1.43 -0.50 -1.10 118.68 127.24 3gd3 s LEU 244 Ca 0.04 1.69 0.15 0.00 -1.03 0.00 0.00 54.13 54.98 3gd3 s LEU 244 Cb -0.12 -4.51 1.02 0.00 0.03 0.00 0.00 46.19 42.61 3gd3 s LEU 244 CO -0.05 -1.27 1.87 -0.55 0.23 0.00 0.00 176.35 176.57 3gd3 h ASN 245 N -0.15 0.45 0.00 2.29 7.08 -0.61 0.21 115.58 124.85 3gd3 h ASN 245 Ca -0.45 0.04 0.00 0.00 -3.08 0.00 0.00 56.30 52.81 3gd3 h ASN 245 Cb 1.21 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 37.40 3gd3 h ASN 245 CO 0.57 0.21 0.00 -0.90 -2.08 0.00 0.00 177.43 175.23 3gd3 n ASP 246 N -4.52 0.00 0.00 6.14 5.68 -1.26 -4.90 116.55 117.69 3gd3 n ASP 246 Ca 0.18 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.31 3gd3 n ASP 246 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 3gd3 n ASP 246 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gd3 n GLY 247 N 0.79 2.85 3.72 6.12 0.00 0.74 -5.05 105.19 114.36 3gd3 n GLY 247 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3gd3 n GLY 247 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gd3 s SER 248 N -1.26 4.14 0.04 1.61 1.04 -1.26 -4.72 113.70 113.30 3gd3 s SER 248 Ca 0.00 2.39 0.09 0.00 0.48 0.00 0.00 55.95 58.91 3gd3 s SER 248 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 3gd3 s SER 248 CO 0.00 -2.30 -0.26 -1.10 0.98 0.00 0.00 173.24 170.56 3gd3 s GLN 249 N -3.88 1.80 -0.10 4.02 -0.21 -1.26 -1.40 119.66 118.62 3gd3 s GLN 249 Ca 0.75 -1.09 -0.01 0.00 0.02 0.00 0.00 55.36 55.03 3gd3 s GLN 249 Cb -0.30 -1.96 0.03 0.00 1.00 0.00 0.00 33.01 31.78 3gd3 s GLN 249 CO 0.45 0.51 -0.02 0.42 -2.12 0.00 0.00 175.29 174.53 3gd3 s ILE 250 N -0.79 0.61 0.05 1.08 1.01 -1.22 -1.18 121.20 120.76 3gd3 s ILE 250 Ca 0.11 -0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.39 3gd3 s ILE 250 Cb -0.10 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 3gd3 s ILE 250 CO 0.02 0.24 0.88 0.42 0.00 0.00 0.00 174.94 176.51 3gd3 s THR 251 N 1.87 4.71 0.18 2.92 -4.23 0.08 -2.17 115.64 118.99 3gd3 s THR 251 Ca 0.04 1.88 0.10 0.00 -1.18 0.00 0.00 61.69 62.53 3gd3 s THR 251 Cb -0.13 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.43 3gd3 s THR 251 CO -0.06 0.29 -0.16 0.72 -0.54 0.00 0.00 174.62 174.86 3gd3 s PHE 252 N 0.30 2.50 -0.17 3.99 -0.12 -0.11 -2.00 117.98 122.37 3gd3 s PHE 252 Ca 0.45 -0.28 0.07 0.00 -0.05 0.00 0.00 56.93 57.12 3gd3 s PHE 252 Cb -0.21 -1.24 -0.23 0.00 -0.63 0.00 0.00 43.02 40.71 3gd3 s PHE 252 CO 0.26 0.49 0.17 0.39 -0.05 0.00 0.00 175.22 176.48 3gd3 n GLU 253 N 0.23 0.68 -3.71 1.99 1.02 -1.07 -4.76 120.64 115.03 3gd3 n GLU 253 Ca -0.12 0.15 -0.16 0.00 -0.02 0.00 0.00 57.16 57.02 3gd3 n GLU 253 Cb 0.55 -1.62 -0.15 0.00 -0.02 0.00 0.00 31.44 30.20 3gd3 n GLU 253 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gd3 s LYS 254 N -2.53 0.03 0.10 3.49 -0.14 -0.61 -4.85 119.74 115.23 3gd3 s LYS 254 Ca -0.18 0.43 0.08 0.00 -1.36 0.00 0.00 55.97 54.94 3gd3 s LYS 254 Cb 0.07 -0.26 -0.03 0.00 -1.68 0.00 0.00 37.83 35.93 3gd3 s LYS 254 CO 0.75 -0.24 -0.22 0.00 -0.76 0.00 0.00 175.35 174.88 3gd3 s LEU 256 N -1.84 1.78 -0.44 0.00 2.96 -0.91 -1.59 118.68 118.64 3gd3 s LEU 256 Ca 0.08 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 3gd3 s LEU 256 Cb -0.10 -0.56 0.12 0.00 0.50 0.00 0.00 46.19 46.14 3gd3 s LEU 256 CO 0.04 0.06 0.23 -0.63 -1.32 0.00 0.00 176.35 174.74 3gd3 s ILE 257 N 0.22 3.30 -0.62 6.68 1.01 0.02 0.31 121.20 132.12 3gd3 s ILE 257 Ca -0.04 -2.20 0.06 0.00 0.00 0.00 0.00 60.65 58.47 3gd3 s ILE 257 Cb -0.09 -3.26 0.28 0.00 0.01 0.00 0.00 42.46 39.40 3gd3 s ILE 257 CO 0.01 -0.72 0.81 0.00 0.00 0.00 0.00 174.94 175.04 3gd3 n ALA 258 N 4.42 4.24 1.48 9.38 0.00 0.00 -2.46 120.51 137.58 3gd3 n ALA 258 Ca -0.01 -4.75 0.14 0.00 0.00 0.00 0.00 53.44 48.83 3gd3 n ALA 258 Cb 0.41 -0.85 0.53 0.00 0.00 0.00 0.00 19.45 19.53 3gd3 n ALA 258 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gd3 n THR 259 N 0.52 0.00 0.00 0.00 -2.24 -1.23 -4.29 114.28 107.04 3gd3 n THR 259 Ca 0.30 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3gd3 n THR 259 Cb 0.41 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3gd3 n THR 259 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gd3 n GLY 260 N 1.20 3.19 3.42 3.38 0.00 -1.26 -4.67 105.19 110.44 3gd3 n GLY 260 Ca 0.18 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 3gd3 n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gd3 s GLY 261 N 0.00 -0.57 -0.20 -0.02 0.00 -1.26 -1.79 107.32 103.48 3gd3 s GLY 261 Ca 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 44.72 45.07 3gd3 s GLY 261 CO 0.00 0.11 0.06 -1.59 0.00 0.00 0.00 173.10 171.67 3gd3 s THR 262 N -3.76 4.57 0.51 0.90 2.01 0.35 -4.89 115.64 115.33 3gd3 s THR 262 Ca 0.01 -0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.68 3gd3 s THR 262 Cb -0.01 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 3gd3 s THR 262 CO -0.13 0.43 1.34 -2.65 -0.69 0.00 0.00 174.62 172.92 3gd3 n PRO 263 N 3.92 1.80 -2.02 4.92 -0.02 -1.26 -0.85 135.00 141.49 3gd3 n PRO 263 Ca -0.16 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 3gd3 n PRO 263 Cb 0.52 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3gd3 n PRO 263 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gd3 s ARG 264 N -2.68 4.27 0.71 -0.52 0.52 -0.33 -4.75 118.95 116.17 3gd3 s ARG 264 Ca 0.68 2.30 -0.07 0.00 -0.52 0.00 0.00 55.73 58.12 3gd3 s ARG 264 Cb -0.44 -3.10 0.15 0.00 0.52 0.00 0.00 34.95 32.09 3gd3 s ARG 264 CO 0.52 -0.39 0.97 -1.13 0.02 0.00 0.00 175.30 175.29 3gd3 n SER 265 N 2.00 0.64 -4.01 0.23 3.41 -1.26 -4.64 113.62 109.99 3gd3 n SER 265 Ca 0.05 -1.69 -0.31 0.00 -0.26 0.00 0.00 58.87 56.66 3gd3 n SER 265 Cb 0.40 -0.69 -0.15 0.00 -0.26 0.00 0.00 64.21 63.51 3gd3 n SER 265 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gd3 s LEU 266 N 0.00 3.42 0.51 1.04 2.96 -1.26 -5.01 118.68 120.34 3gd3 s LEU 266 Ca 0.59 -1.50 0.45 0.00 -0.22 0.00 0.00 54.13 53.45 3gd3 s LEU 266 Cb -0.02 -1.43 1.62 0.00 0.50 0.00 0.00 46.19 46.85 3gd3 s LEU 266 CO 0.40 -0.25 1.50 -1.54 -1.32 0.00 0.00 176.35 175.14 3gd3 n SER 267 N 4.48 0.05 0.04 3.68 3.41 -1.26 0.27 113.62 124.28 3gd3 n SER 267 Ca -0.09 1.04 0.03 0.00 -0.26 0.00 0.00 58.87 59.59 3gd3 n SER 267 Cb 0.43 -0.52 0.39 0.00 -0.26 0.00 0.00 64.21 64.25 3gd3 n SER 267 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gd3 h ALA 268 N 1.09 1.58 0.00 7.33 0.00 -1.94 -1.30 119.26 126.02 3gd3 h ALA 268 Ca 0.89 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.69 3gd3 h ALA 268 Cb 3.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 21.09 3gd3 h ALA 268 CO -0.11 0.32 0.00 0.82 0.00 0.00 0.00 179.25 180.28 3gd3 h ILE 269 N 0.45 0.00 0.20 0.00 2.04 0.34 -3.26 117.51 117.27 3gd3 h ILE 269 Ca 0.11 -0.61 -0.33 0.00 1.00 0.00 0.00 64.86 65.02 3gd3 h ILE 269 Cb 0.15 1.61 0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3gd3 h ILE 269 CO -0.01 0.00 -1.57 0.44 0.00 0.00 0.00 178.15 177.01 3gd3 h ASP 270 N 0.00 0.66 0.36 1.72 3.32 -1.16 -3.28 116.42 118.05 3gd3 h ASP 270 Ca 0.00 -0.83 -0.05 0.00 0.02 0.00 0.00 57.03 56.17 3gd3 h ASP 270 Cb 0.80 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3gd3 h ASP 270 CO 0.00 1.67 -0.23 0.03 -1.72 0.00 0.00 179.24 178.99 3gd3 h ARG 271 N 0.12 0.00 -7.23 3.56 3.08 -1.50 -3.45 114.38 108.95 3gd3 h ARG 271 Ca -0.28 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.34 3gd3 h ARG 271 Cb 2.11 0.00 0.19 0.00 0.08 0.00 0.00 29.97 32.35 3gd3 h ARG 271 CO 0.22 0.23 0.06 0.00 -1.07 0.00 0.00 179.97 179.41 3gd3 s ALA 272 N -4.26 -0.01 1.05 0.04 0.00 -1.23 -5.03 121.76 112.31 3gd3 s ALA 272 Ca -0.03 -0.44 -0.15 0.00 0.00 0.00 0.00 51.96 51.33 3gd3 s ALA 272 Cb 0.14 -3.10 0.21 0.00 0.00 0.00 0.00 23.12 20.37 3gd3 s ALA 272 CO 0.67 -3.67 1.14 0.20 0.00 0.00 0.00 175.76 174.10 3gd3 s GLY 273 N -3.09 1.60 0.47 0.00 0.00 -1.26 -4.87 107.32 100.18 3gd3 s GLY 273 Ca 0.68 -0.74 0.27 0.00 0.00 0.00 0.00 44.72 44.92 3gd3 s GLY 273 CO 0.60 -0.02 1.85 0.00 0.00 0.00 0.00 173.10 175.54 3gd3 h ALA 274 N -2.02 1.01 -0.11 3.20 0.00 -1.96 -2.11 119.26 117.28 3gd3 h ALA 274 Ca -0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3gd3 h ALA 274 Cb 1.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gd3 h ALA 274 CO 0.47 0.18 0.02 1.49 0.00 0.00 0.00 179.25 181.42 3gd3 h GLU 275 N 0.00 0.17 -0.20 0.00 4.57 -1.99 -0.19 114.58 116.94 3gd3 h GLU 275 Ca -0.00 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.02 3gd3 h GLU 275 Cb 0.70 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 3gd3 h GLU 275 CO 0.02 0.36 -0.32 -0.24 -1.18 0.00 0.00 179.01 177.65 3gd3 h VAL 276 N -0.05 1.33 -0.99 0.32 3.04 -1.93 -2.97 116.25 115.00 3gd3 h VAL 276 Ca 0.03 -1.54 0.18 0.00 -1.01 0.00 0.00 66.70 64.37 3gd3 h VAL 276 Cb 0.27 1.85 -0.10 0.00 -2.01 0.00 0.00 31.29 31.30 3gd3 h VAL 276 CO 0.00 0.47 0.62 0.11 -1.01 0.00 0.00 177.57 177.76 3gd3 h LYS 277 N 0.23 0.74 -0.32 4.17 1.57 -1.35 -1.63 116.57 119.97 3gd3 h LYS 277 Ca 0.02 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3gd3 h LYS 277 Cb 0.90 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3gd3 h LYS 277 CO 0.07 0.49 0.02 0.66 -0.57 0.00 0.00 179.45 180.12 3gd3 h SER 278 N 0.76 0.53 0.00 0.86 4.64 -0.98 -2.85 113.55 116.51 3gd3 h SER 278 Ca 0.55 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3gd3 h SER 278 Cb 0.87 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3gd3 h SER 278 CO -0.34 0.69 0.00 0.54 -0.87 0.00 0.00 176.83 176.85 3gd3 n ARG 279 N -4.57 0.79 -3.90 4.77 1.74 -0.62 -4.66 116.66 110.20 3gd3 n ARG 279 Ca -0.02 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.85 3gd3 n ARG 279 Cb 0.24 -1.28 -0.17 0.00 -1.02 0.00 0.00 32.46 30.23 3gd3 n ARG 279 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gd3 s THR 280 N -0.54 0.33 0.26 0.55 2.01 -1.08 -2.51 115.64 114.66 3gd3 s THR 280 Ca 0.00 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.16 3gd3 s THR 280 Cb 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 3gd3 s THR 280 CO 0.00 0.22 0.04 0.42 -0.69 0.00 0.00 174.62 174.61 3gd3 s THR 281 N 1.50 3.70 -0.53 -0.82 -4.23 -0.68 -4.97 115.64 109.61 3gd3 s THR 281 Ca -0.03 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 3gd3 s THR 281 Cb -0.13 -2.98 0.14 0.00 1.34 0.00 0.00 72.50 70.87 3gd3 s THR 281 CO -0.03 -0.36 0.29 -0.76 -0.54 0.00 0.00 174.62 173.22 3gd3 s LEU 282 N -3.68 4.03 0.11 4.79 1.43 -1.26 -2.20 118.68 121.90 3gd3 s LEU 282 Ca 0.32 -3.05 -0.31 0.00 -1.03 0.00 0.00 54.13 50.06 3gd3 s LEU 282 Cb -0.07 -1.51 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 3gd3 s LEU 282 CO 0.21 -0.22 1.82 0.12 0.23 0.00 0.00 176.35 178.51 3gd3 s PHE 283 N -0.32 2.08 0.00 0.29 5.36 -1.26 -4.70 117.98 119.44 3gd3 s PHE 283 Ca 0.18 -0.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.13 3gd3 s PHE 283 Cb -0.23 -4.16 0.00 0.00 -0.34 0.00 0.00 43.02 38.30 3gd3 s PHE 283 CO -0.02 -4.81 0.00 -2.13 -1.46 0.00 0.00 175.22 166.80 3gd3 n ARG 284 N 5.88 0.00 -0.12 10.12 0.63 -1.26 -4.96 116.66 126.96 3gd3 n ARG 284 Ca 0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 3gd3 n ARG 284 Cb 0.39 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.30 3gd3 n ARG 284 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3gd3 n LYS 285 N -1.52 0.54 -0.02 -0.14 5.02 -1.26 -4.96 118.16 115.82 3gd3 n LYS 285 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3gd3 n LYS 285 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 3gd3 n LYS 285 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gd3 n ILE 286 N -1.26 1.69 -0.34 -0.18 5.41 -1.26 -3.11 119.36 120.31 3gd3 n ILE 286 Ca 0.00 -0.70 0.20 0.00 1.00 0.00 0.00 62.75 63.24 3gd3 n ILE 286 Cb 0.00 -1.45 0.43 0.00 -0.71 0.00 0.00 39.64 37.91 3gd3 n ILE 286 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3gd3 h GLY 287 N 2.02 1.76 1.37 7.39 0.00 -2.00 -0.91 103.07 112.71 3gd3 h GLY 287 Ca -0.40 -0.28 -0.31 0.00 0.00 0.00 0.00 47.33 46.34 3gd3 h GLY 287 CO 0.07 -0.24 -1.42 -0.55 0.00 0.00 0.00 176.54 174.40 3gd3 h ASP 288 N 0.51 0.65 -0.00 0.19 3.45 -1.95 -2.35 116.42 116.92 3gd3 h ASP 288 Ca 0.65 -0.72 0.00 0.00 0.43 0.00 0.00 57.03 57.38 3gd3 h ASP 288 Cb 1.35 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.91 3gd3 h ASP 288 CO -0.45 1.57 0.00 0.15 -1.57 0.00 0.00 179.24 178.95 3gd3 h PHE 289 N 0.11 0.00 -0.39 4.55 3.04 -1.25 -2.12 116.94 120.88 3gd3 h PHE 289 Ca -0.22 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.71 3gd3 h PHE 289 Cb 2.09 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.58 3gd3 h PHE 289 CO 0.10 0.02 0.15 0.00 -2.02 0.00 0.00 178.31 176.55 3gd3 h ARG 290 N -0.01 0.59 -0.02 1.11 3.08 -1.29 -1.95 114.38 115.90 3gd3 h ARG 290 Ca 0.00 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3gd3 h ARG 290 Cb 0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3gd3 h ARG 290 CO -0.00 0.57 -0.14 0.00 -1.07 0.00 0.00 179.97 179.33 3gd3 h ALA 291 N 0.99 -0.15 0.30 0.04 0.00 -1.40 0.61 119.26 119.66 3gd3 h ALA 291 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gd3 h ALA 291 Cb 0.21 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3gd3 h ALA 291 CO -0.01 -0.63 -0.24 1.25 0.00 0.00 0.00 179.25 179.63 3gd3 h LEU 292 N -0.22 -0.62 -1.50 0.00 5.85 -1.33 -1.06 115.31 116.43 3gd3 h LEU 292 Ca 0.06 0.04 0.36 0.00 0.84 0.00 0.00 57.88 59.18 3gd3 h LEU 292 Cb 0.30 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 3gd3 h LEU 292 CO -0.15 -0.34 0.81 -0.08 -0.34 0.00 0.00 178.44 178.34 3gd3 h GLU 293 N -0.52 0.18 0.65 1.25 4.22 -1.28 0.64 114.58 119.72 3gd3 h GLU 293 Ca -0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.36 3gd3 h GLU 293 Cb 0.43 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.65 3gd3 h GLU 293 CO 0.01 0.12 -0.31 -0.22 -2.18 0.00 0.00 179.01 176.43 3gd3 h LYS 294 N 0.19 -0.84 -0.90 1.92 3.64 -0.54 -3.14 116.57 116.90 3gd3 h LYS 294 Ca 0.70 0.06 0.17 0.00 -1.27 0.00 0.00 60.65 60.31 3gd3 h LYS 294 Cb 2.18 0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 34.09 3gd3 h LYS 294 CO -0.30 -0.52 0.49 0.82 -2.27 0.00 0.00 179.45 177.67 3gd3 h ILE 295 N -1.06 0.70 0.00 2.00 2.04 0.15 -0.53 117.51 120.81 3gd3 h ILE 295 Ca -0.09 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3gd3 h ILE 295 Cb 0.71 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3gd3 h ILE 295 CO 0.15 0.12 0.00 0.77 0.00 0.00 0.00 178.15 179.18 3gd3 h SER 296 N 0.65 0.00 -0.50 1.72 4.64 -1.07 0.57 113.55 119.56 3gd3 h SER 296 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3gd3 h SER 296 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3gd3 h SER 296 CO -0.38 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.12 3gd3 n ARG 297 N -2.81 2.25 0.00 4.77 1.74 -0.21 -4.57 116.66 117.82 3gd3 n ARG 297 Ca -0.02 -1.93 0.00 0.00 -0.77 0.00 0.00 57.85 55.13 3gd3 n ARG 297 Cb 0.08 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 3gd3 n ARG 297 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gd3 n GLU 298 N 1.08 0.00 -2.84 5.56 1.02 0.19 -5.12 120.64 120.53 3gd3 n GLU 298 Ca 0.18 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.11 3gd3 n GLU 298 Cb 0.47 -0.51 0.08 0.00 -0.02 0.00 0.00 31.44 31.45 3gd3 n GLU 298 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3gd3 s VAL 299 N -2.00 2.21 -0.18 2.62 -7.23 -0.61 -5.05 120.40 110.16 3gd3 s VAL 299 Ca 0.00 -0.83 0.20 0.00 -1.81 0.00 0.00 61.98 59.55 3gd3 s VAL 299 Cb 0.00 -2.38 -0.30 0.00 0.56 0.00 0.00 36.38 34.26 3gd3 s VAL 299 CO 0.00 0.00 0.51 1.17 -0.31 0.00 0.00 175.10 176.47 3gd3 n LYS 300 N -2.46 0.59 -3.34 4.82 3.00 -1.26 -4.87 118.16 114.64 3gd3 n LYS 300 Ca 0.15 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.31 58.28 3gd3 n LYS 300 Cb 0.61 -1.48 -0.05 0.00 0.00 0.00 0.00 35.03 34.12 3gd3 n LYS 300 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3gd3 s SER 301 N -4.10 -0.68 -0.24 3.14 0.15 -1.26 -0.75 113.70 109.96 3gd3 s SER 301 Ca -0.05 0.76 -0.07 0.00 0.70 0.00 0.00 55.95 57.29 3gd3 s SER 301 Cb 0.13 1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 66.15 3gd3 s SER 301 CO 0.84 -0.26 0.07 -0.63 1.20 0.00 0.00 173.24 174.46 3gd3 s ILE 302 N 2.73 4.35 -0.00 6.45 1.01 -0.70 -0.49 121.20 134.55 3gd3 s ILE 302 Ca 0.12 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 3gd3 s ILE 302 Cb -0.14 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 3gd3 s ILE 302 CO -0.18 0.35 0.34 -0.89 0.00 0.00 0.00 174.94 174.55 3gd3 s THR 303 N 1.51 5.17 -0.13 2.92 2.01 0.97 -2.50 115.64 125.60 3gd3 s THR 303 Ca 0.06 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.59 3gd3 s THR 303 Cb -0.15 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.76 3gd3 s THR 303 CO 0.04 0.48 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.60 3gd3 s VAL 304 N -1.18 1.66 -0.24 3.82 1.01 -0.03 -1.41 120.40 124.04 3gd3 s VAL 304 Ca 0.25 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3gd3 s VAL 304 Cb -0.15 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3gd3 s VAL 304 CO 0.13 0.47 0.15 -0.63 0.00 0.00 0.00 175.10 175.23 3gd3 s ILE 305 N 1.18 5.32 0.00 2.22 1.01 -0.70 -1.54 121.20 128.68 3gd3 s ILE 305 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.80 3gd3 s ILE 305 Cb -0.14 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3gd3 s ILE 305 CO -0.06 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3gd3 n GLY 306 N 4.25 4.08 1.27 6.18 0.00 -0.96 0.18 105.19 120.18 3gd3 n GLY 306 Ca -0.15 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 44.95 3gd3 n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 307 N 0.00 2.21 3.41 -0.02 0.00 -1.26 -4.50 105.19 105.02 3gd3 n GLY 307 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 3gd3 n GLY 307 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gd3 s GLY 308 N -1.00 1.48 0.06 -0.02 0.00 -1.26 -0.38 107.32 106.21 3gd3 s GLY 308 Ca 0.46 -0.88 -0.21 0.00 0.00 0.00 0.00 44.72 44.09 3gd3 s GLY 308 CO 0.31 0.09 1.50 0.74 0.00 0.00 0.00 173.10 175.74 3gd3 h PHE 309 N -3.14 0.31 0.01 1.90 -1.00 -1.94 -0.93 116.94 112.15 3gd3 h PHE 309 Ca -0.44 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.30 3gd3 h PHE 309 Cb 1.32 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.79 3gd3 h PHE 309 CO -2.95 0.49 -0.06 1.25 -1.61 0.00 0.00 178.31 175.43 3gd3 h LEU 310 N 0.04 -0.17 -0.58 1.54 5.85 -1.93 0.45 115.31 120.51 3gd3 h LEU 310 Ca 0.05 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.92 3gd3 h LEU 310 Cb 0.36 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.35 3gd3 h LEU 310 CO 0.01 -0.06 -0.08 0.61 -0.34 0.00 0.00 178.44 178.58 3gd3 n GLY 311 N -1.05 -0.89 0.17 3.75 0.00 -1.22 0.33 105.19 106.28 3gd3 n GLY 311 Ca -0.01 0.60 -0.22 0.00 0.00 0.00 0.00 46.02 46.39 3gd3 n GLY 311 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3gd3 h SER 312 N 0.00 0.87 0.00 1.61 0.02 -0.20 -0.62 113.55 115.24 3gd3 h SER 312 Ca 0.31 -0.81 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3gd3 h SER 312 Cb 0.54 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3gd3 h SER 312 CO -0.57 1.59 -0.00 -0.33 -1.14 0.00 0.00 176.83 176.38 3gd3 h GLU 313 N 0.26 -0.00 -0.29 3.45 5.08 0.29 -0.63 114.58 122.74 3gd3 h GLU 313 Ca -0.18 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3gd3 h GLU 313 Cb 1.86 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.03 3gd3 h GLU 313 CO 0.23 0.03 -0.42 -0.07 -1.00 0.00 0.00 179.01 177.78 3gd3 h LEU 314 N -0.04 -1.37 -1.06 1.33 3.38 -0.08 0.93 115.31 118.39 3gd3 h LEU 314 Ca -0.00 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3gd3 h LEU 314 Cb 0.04 0.58 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3gd3 h LEU 314 CO 0.00 -0.39 0.63 0.00 0.09 0.00 0.00 178.44 178.77 3gd3 h ALA 315 N 0.30 1.43 -0.39 1.53 0.00 -0.55 0.35 119.26 121.93 3gd3 h ALA 315 Ca 0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3gd3 h ALA 315 Cb 0.60 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gd3 h ALA 315 CO -0.50 0.43 -0.22 0.00 0.00 0.00 0.00 179.25 178.97 3gd3 h ALA 317 N 0.80 0.88 -0.45 0.00 0.00 0.19 -0.22 119.26 120.46 3gd3 h ALA 317 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3gd3 h ALA 317 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3gd3 h ALA 317 CO 0.06 0.08 -0.27 -0.07 0.00 0.00 0.00 179.25 179.06 3gd3 h LEU 318 N 0.72 1.01 -0.72 0.00 3.38 -0.39 -3.20 115.31 116.11 3gd3 h LEU 318 Ca 0.29 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.93 3gd3 h LEU 318 Cb 0.13 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 3gd3 h LEU 318 CO -0.16 1.21 0.36 1.23 0.09 0.00 0.00 178.44 181.17 3gd3 h GLY 319 N 0.82 1.08 1.02 0.83 0.00 0.95 -0.29 103.07 107.48 3gd3 h GLY 319 Ca 0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 3gd3 h GLY 319 CO 0.08 0.05 -0.42 3.21 0.00 0.00 0.00 176.54 179.46 3gd3 h ARG 320 N 0.60 -1.14 -1.16 4.80 2.47 -1.16 -2.48 114.38 116.33 3gd3 h ARG 320 Ca 0.36 0.08 0.33 0.00 -1.26 0.00 0.00 59.98 59.48 3gd3 h ARG 320 Cb 0.38 0.26 -0.06 0.00 -1.65 0.00 0.00 29.97 28.90 3gd3 h ARG 320 CO -0.27 -0.76 0.81 0.87 0.56 0.00 0.00 179.97 181.18 3gd3 h LYS 321 N -1.18 0.09 -0.29 0.04 1.79 -1.42 0.31 116.57 115.91 3gd3 h LYS 321 Ca -0.12 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 3gd3 h LYS 321 Cb 0.91 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 3gd3 h LYS 321 CO 0.20 0.06 0.07 1.03 -1.08 0.00 0.00 179.45 179.73 3gd3 h SER 322 N 0.09 0.43 0.00 0.86 0.87 -0.74 -1.61 113.55 113.46 3gd3 h SER 322 Ca 0.58 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3gd3 h SER 322 Cb 2.10 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.95 3gd3 h SER 322 CO -0.08 0.54 0.01 0.00 -0.53 0.00 0.00 176.83 176.77 3gd3 n GLN 323 N -4.69 0.00 0.00 2.24 6.02 0.11 -0.21 117.38 120.85 3gd3 n GLN 323 Ca -0.02 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3gd3 n GLN 323 Cb 0.18 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.93 3gd3 n GLN 323 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gd3 n ALA 324 N -0.95 1.88 -0.02 -1.58 0.00 -0.77 -4.81 120.51 114.26 3gd3 n ALA 324 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3gd3 n ALA 324 Cb 0.01 0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.61 3gd3 n ALA 324 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gd3 n SER 325 N -1.84 2.55 0.00 0.00 3.41 -0.68 -5.01 113.62 112.05 3gd3 n SER 325 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3gd3 n SER 325 Cb 0.44 1.20 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 3gd3 n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gd3 n GLY 326 N 2.08 0.56 3.37 5.00 0.00 0.71 -5.06 105.19 111.86 3gd3 n GLY 326 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3gd3 n GLY 326 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3gd3 n ILE 327 N -2.00 1.27 -3.30 -0.61 3.06 -1.25 -4.95 119.36 111.58 3gd3 n ILE 327 Ca 0.00 -0.50 -0.38 0.00 -2.50 0.00 0.00 62.75 59.37 3gd3 n ILE 327 Cb 0.00 -0.39 -0.06 0.00 0.54 0.00 0.00 39.64 39.73 3gd3 n ILE 327 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 3gd3 s GLU 328 N -1.65 4.34 -0.27 9.51 2.12 0.07 -4.73 118.70 128.10 3gd3 s GLU 328 Ca 0.63 0.47 0.02 0.00 0.36 0.00 0.00 54.97 56.45 3gd3 s GLU 328 Cb -0.46 -3.44 0.05 0.00 0.26 0.00 0.00 34.13 30.55 3gd3 s GLU 328 CO 0.60 0.15 -0.08 0.08 -0.54 0.00 0.00 175.26 175.46 3gd3 s VAL 329 N 0.64 2.39 -0.11 3.70 1.01 -1.26 -1.72 120.40 125.06 3gd3 s VAL 329 Ca 0.27 -1.53 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 3gd3 s VAL 329 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3gd3 s VAL 329 CO 0.11 -0.02 0.04 -0.63 0.00 0.00 0.00 175.10 174.59 3gd3 s ILE 330 N 1.15 4.62 -0.11 2.22 1.01 -1.04 -1.59 121.20 127.46 3gd3 s ILE 330 Ca -0.07 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.47 3gd3 s ILE 330 Cb -0.20 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.30 3gd3 s ILE 330 CO -0.04 0.58 -0.15 -1.58 0.00 0.00 0.00 174.94 173.75 3gd3 s GLN 331 N -0.64 2.19 0.05 2.79 0.74 -0.73 -0.85 119.66 123.22 3gd3 s GLN 331 Ca 0.11 -0.55 0.04 0.00 0.05 0.00 0.00 55.36 55.01 3gd3 s GLN 331 Cb -0.12 -1.87 -0.03 0.00 1.10 0.00 0.00 33.01 32.10 3gd3 s GLN 331 CO 0.02 -0.06 -0.12 -0.48 -0.55 0.00 0.00 175.29 174.10 3gd3 s LEU 332 N 0.99 2.24 -0.18 3.68 0.05 -0.59 0.41 118.68 125.28 3gd3 s LEU 332 Ca -0.07 -0.54 -0.29 0.00 0.05 0.00 0.00 54.13 53.28 3gd3 s LEU 332 Cb -0.15 -0.43 0.13 0.00 -2.05 0.00 0.00 46.19 43.69 3gd3 s LEU 332 CO -0.02 -0.08 1.02 0.72 -0.55 0.00 0.00 176.35 177.44 3gd3 s PHE 333 N -1.17 -0.37 0.53 3.48 -0.12 -1.07 -2.27 117.98 116.99 3gd3 s PHE 333 Ca -0.03 0.68 0.26 0.00 -0.05 0.00 0.00 56.93 57.79 3gd3 s PHE 333 Cb -0.09 0.44 1.59 0.00 -0.63 0.00 0.00 43.02 44.32 3gd3 s PHE 333 CO 0.01 -0.32 2.17 -1.35 -0.05 0.00 0.00 175.22 175.69 3gd3 h PRO 334 N 2.78 0.00 -7.13 1.99 0.11 -1.48 -1.53 132.00 126.73 3gd3 h PRO 334 Ca -0.19 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.41 3gd3 h PRO 334 Cb 1.16 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.36 3gd3 h PRO 334 CO 0.28 0.05 0.41 -1.21 -0.21 0.00 0.00 178.00 177.32 3gd3 s GLU 335 N -4.59 3.14 0.13 1.05 8.01 -1.26 -3.65 118.70 121.53 3gd3 s GLU 335 Ca -0.04 1.52 0.14 0.00 0.01 0.00 0.00 54.97 56.60 3gd3 s GLU 335 Cb 0.15 -1.98 0.63 0.00 -4.31 0.00 0.00 34.13 28.62 3gd3 s GLU 335 CO 0.59 -1.00 1.42 1.63 0.01 0.00 0.00 175.26 177.91 3gd3 n LYS 336 N -1.73 0.07 -3.62 1.61 5.02 -1.26 -2.01 118.16 116.24 3gd3 n LYS 336 Ca 0.11 0.45 -0.05 0.00 -2.02 0.00 0.00 58.31 56.80 3gd3 n LYS 336 Cb 0.51 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 3gd3 n LYS 336 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gd3 s GLY 337 N -3.24 -0.36 0.24 0.72 0.00 -1.26 -4.77 107.32 98.66 3gd3 s GLY 337 Ca 0.02 0.72 -0.30 0.00 0.00 0.00 0.00 44.72 45.17 3gd3 s GLY 337 CO 0.20 0.21 1.05 0.70 0.00 0.00 0.00 173.10 175.26 3gd3 n ASN 338 N -0.34 1.22 -4.34 1.64 3.02 -1.26 -1.63 115.26 113.58 3gd3 n ASN 338 Ca -0.07 1.16 -0.35 0.00 -0.03 0.00 0.00 54.58 55.29 3gd3 n ASN 338 Cb 0.61 -1.25 -0.07 0.00 -0.61 0.00 0.00 39.78 38.46 3gd3 n ASN 338 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3gd3 n MET 339 N 1.13 -1.48 0.18 3.52 2.81 0.49 -4.62 117.12 119.16 3gd3 n MET 339 Ca 0.12 0.19 0.05 0.00 -1.81 0.00 0.00 57.70 56.25 3gd3 n MET 339 Cb 0.29 -4.32 0.29 0.00 -0.71 0.00 0.00 33.22 28.78 3gd3 n MET 339 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3gd3 h GLY 340 N -1.43 0.00 1.71 3.03 0.00 -1.56 -0.23 103.07 104.59 3gd3 h GLY 340 Ca -0.63 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3gd3 h GLY 340 CO 0.78 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.60 3gd3 n LYS 341 N -3.49 0.21 0.05 4.80 5.02 -1.26 -4.23 118.16 119.26 3gd3 n LYS 341 Ca 0.00 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3gd3 n LYS 341 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3gd3 n LYS 341 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gd3 n ILE 342 N -1.36 1.10 -2.15 -0.18 5.41 -0.97 -2.26 119.36 118.95 3gd3 n ILE 342 Ca 0.09 0.36 -0.32 0.00 1.00 0.00 0.00 62.75 63.89 3gd3 n ILE 342 Cb 0.20 -1.54 -0.01 0.00 -0.71 0.00 0.00 39.64 37.58 3gd3 n ILE 342 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3gd3 s LEU 343 N -6.92 3.44 0.67 1.39 1.43 -0.14 -2.60 118.68 115.96 3gd3 s LEU 343 Ca 0.00 1.49 -0.15 0.00 -1.03 0.00 0.00 54.13 54.44 3gd3 s LEU 343 Cb 0.00 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.75 3gd3 s LEU 343 CO 0.00 -0.72 1.13 -2.84 0.23 0.00 0.00 176.35 174.15 3gd3 s PRO 344 N -4.60 2.68 0.17 1.29 0.02 -1.26 -4.61 135.00 128.68 3gd3 s PRO 344 Ca 0.57 1.45 -0.27 0.00 0.02 0.00 0.00 61.00 62.77 3gd3 s PRO 344 Cb -0.10 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.51 3gd3 s PRO 344 CO 0.42 -1.36 1.55 0.37 -0.33 0.00 0.00 177.00 177.66 3gd3 h GLN 345 N -0.04 -0.12 -0.23 5.54 -0.00 -1.94 -0.93 115.11 117.39 3gd3 h GLN 345 Ca -0.47 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.26 3gd3 h GLN 345 Cb 1.25 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.75 3gd3 h GLN 345 CO 0.53 -0.08 0.20 0.10 0.00 0.00 0.00 178.83 179.58 3gd3 h TYR 346 N -0.13 0.00 0.00 3.99 -0.00 -1.99 0.35 116.97 119.19 3gd3 h TYR 346 Ca 0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 58.73 58.63 3gd3 h TYR 346 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.20 3gd3 h TYR 346 CO -0.86 0.00 -1.91 -0.11 -0.00 0.00 0.00 178.16 175.28 3gd3 n LEU 347 N -4.13 0.55 -0.15 0.10 7.94 -0.80 -2.87 117.00 117.63 3gd3 n LEU 347 Ca 0.03 0.26 -0.10 0.00 -1.11 0.00 0.00 56.01 55.09 3gd3 n LEU 347 Cb 0.34 0.26 -0.00 0.00 0.53 0.00 0.00 43.42 44.55 3gd3 n LEU 347 CO 0.32 0.38 0.84 -1.28 -1.11 0.00 0.00 177.39 176.53 3gd3 h SER 348 N 0.00 0.72 -0.31 1.96 0.87 -0.34 -1.88 113.55 114.57 3gd3 h SER 348 Ca -0.35 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 59.91 3gd3 h SER 348 Cb 2.00 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.76 3gd3 h SER 348 CO 0.06 0.81 0.09 -1.13 -0.53 0.00 0.00 176.83 176.12 3gd3 h ASN 349 N 0.61 0.46 -0.65 6.23 -0.00 -0.47 -1.28 115.58 120.48 3gd3 h ASN 349 Ca 0.13 -0.22 0.09 0.00 -0.00 0.00 0.00 56.30 56.31 3gd3 h ASN 349 Cb 0.41 -0.12 -0.04 0.00 -0.00 0.00 0.00 38.32 38.57 3gd3 h ASN 349 CO 0.01 0.56 0.43 -0.25 -0.00 0.00 0.00 177.43 178.18 3gd3 h TRP 350 N 0.34 0.53 -0.11 0.67 7.01 -1.49 -1.48 115.95 121.43 3gd3 h TRP 350 Ca 0.10 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 60.96 3gd3 h TRP 350 Cb 0.27 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 3gd3 h TRP 350 CO 0.01 0.26 -0.58 1.15 -2.79 0.00 0.00 178.44 176.49 3gd3 h THR 351 N 0.50 1.36 -0.82 2.65 2.02 -0.43 -2.81 112.91 115.39 3gd3 h THR 351 Ca 0.30 -1.89 0.01 0.00 0.77 0.00 0.00 66.41 65.59 3gd3 h THR 351 Cb 0.49 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 3gd3 h THR 351 CO -0.09 0.57 0.54 -0.03 0.37 0.00 0.00 175.52 176.88 3gd3 h MET 352 N 0.26 1.07 -0.60 6.66 1.85 -0.19 -1.78 114.93 122.21 3gd3 h MET 352 Ca -0.00 -0.06 0.04 0.00 -0.61 0.00 0.00 59.70 59.07 3gd3 h MET 352 Cb 1.09 -0.24 -0.05 0.00 0.43 0.00 0.00 31.60 32.83 3gd3 h MET 352 CO 0.10 0.71 0.34 0.93 -0.40 0.00 0.00 176.91 178.58 3gd3 h GLU 353 N 1.10 0.63 -0.69 0.39 4.39 -1.29 0.92 114.58 120.04 3gd3 h GLU 353 Ca 0.30 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 3gd3 h GLU 353 Cb -0.12 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.35 3gd3 h GLU 353 CO -0.07 0.42 0.15 -0.22 -1.16 0.00 0.00 179.01 178.13 3gd3 h LYS 354 N 0.65 1.12 -0.14 2.33 1.63 -1.27 0.38 116.57 121.27 3gd3 h LYS 354 Ca 0.26 -0.28 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3gd3 h LYS 354 Cb 0.11 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3gd3 h LYS 354 CO -0.14 1.00 0.08 0.28 -3.45 0.00 0.00 179.45 177.21 3gd3 h VAL 355 N 1.06 1.09 -0.00 2.00 2.07 -0.83 -1.88 116.25 119.75 3gd3 h VAL 355 Ca 0.22 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3gd3 h VAL 355 Cb 0.40 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3gd3 h VAL 355 CO 0.01 0.08 -0.13 0.11 0.02 0.00 0.00 177.57 177.65 3gd3 h LYS 356 N 0.13 -0.21 -0.78 1.57 1.57 -0.36 -2.63 116.57 115.87 3gd3 h LYS 356 Ca 0.05 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.94 3gd3 h LYS 356 Cb 0.06 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3gd3 h LYS 356 CO -0.01 -0.14 0.51 0.00 -0.57 0.00 0.00 179.45 179.24 3gd3 h ARG 357 N -0.22 0.69 0.00 3.15 3.08 -0.09 0.74 114.38 121.73 3gd3 h ARG 357 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gd3 h ARG 357 Cb 0.28 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3gd3 h ARG 357 CO -0.13 0.46 0.00 0.39 -1.07 0.00 0.00 179.97 179.61 3gd3 n GLU 358 N -4.50 0.41 -0.63 0.04 -0.58 -0.72 -4.74 120.64 109.92 3gd3 n GLU 358 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3gd3 n GLU 358 Cb 0.32 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3gd3 n GLU 358 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gd3 n GLY 359 N -0.09 1.26 3.05 0.62 0.00 0.10 -3.72 105.19 106.40 3gd3 n GLY 359 Ca 0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3gd3 n GLY 359 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gd3 s VAL 360 N -2.14 1.80 -0.60 1.61 1.01 -0.33 -4.44 120.40 117.29 3gd3 s VAL 360 Ca 0.00 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 3gd3 s VAL 360 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.64 3gd3 s VAL 360 CO 0.00 0.35 1.58 -0.75 0.00 0.00 0.00 175.10 176.28 3gd3 s LYS 361 N 1.36 3.03 -0.15 2.72 2.20 -0.62 -3.95 119.74 124.33 3gd3 s LYS 361 Ca 0.02 0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 56.03 3gd3 s LYS 361 Cb -0.15 -4.24 -0.03 0.00 -1.51 0.00 0.00 37.83 31.91 3gd3 s LYS 361 CO -0.10 -2.28 -0.04 0.08 -0.36 0.00 0.00 175.35 172.66 3gd3 s VAL 362 N 7.19 3.92 -0.43 4.02 1.01 -1.26 -1.78 120.40 133.07 3gd3 s VAL 362 Ca 0.56 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.22 3gd3 s VAL 362 Cb -0.12 -2.71 0.12 0.00 0.00 0.00 0.00 36.38 33.67 3gd3 s VAL 362 CO 0.22 0.50 0.19 -0.04 0.00 0.00 0.00 175.10 175.97 3gd3 s MET 363 N 0.27 1.53 1.11 2.72 1.00 0.17 -4.95 119.30 121.14 3gd3 s MET 363 Ca -0.03 -2.11 -0.18 0.00 0.00 0.00 0.00 55.69 53.38 3gd3 s MET 363 Cb -0.14 -2.88 0.25 0.00 0.00 0.00 0.00 34.83 32.06 3gd3 s MET 363 CO 0.03 -1.07 1.19 -1.25 0.00 0.00 0.00 175.02 173.92 3gd3 s PRO 364 N 0.38 -0.49 -1.36 2.03 0.04 -1.26 -2.59 135.00 131.75 3gd3 s PRO 364 Ca 0.15 -0.19 -0.14 0.00 0.04 0.00 0.00 61.00 60.86 3gd3 s PRO 364 Cb -0.23 -1.69 0.12 0.00 0.04 0.00 0.00 34.50 32.74 3gd3 s PRO 364 CO -0.05 -3.20 0.53 0.09 0.04 0.00 0.00 177.00 174.41 3gd3 n ASN 365 N -4.37 -2.84 -4.61 6.66 4.13 -0.85 -4.80 115.26 108.58 3gd3 n ASN 365 Ca 0.14 -0.63 -0.36 0.00 1.68 0.00 0.00 54.58 55.41 3gd3 n ASN 365 Cb 0.59 -2.38 -0.10 0.00 -1.54 0.00 0.00 39.78 36.35 3gd3 n ASN 365 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gd3 s ALA 366 N -2.97 3.48 -0.18 5.41 0.00 -0.62 -4.90 121.76 121.99 3gd3 s ALA 366 Ca 0.54 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 3gd3 s ALA 366 Cb -0.30 -2.21 0.05 0.00 0.00 0.00 0.00 23.12 20.66 3gd3 s ALA 366 CO 0.66 -0.20 -0.02 0.42 0.00 0.00 0.00 175.76 176.62 3gd3 s ILE 367 N 1.07 0.95 0.38 0.00 1.01 -1.26 -1.19 121.20 122.17 3gd3 s ILE 367 Ca 0.06 -0.65 -0.28 0.00 0.00 0.00 0.00 60.65 59.79 3gd3 s ILE 367 Cb -0.14 -1.24 -0.10 0.00 0.01 0.00 0.00 42.46 40.99 3gd3 s ILE 367 CO 0.04 0.01 1.45 -0.69 0.00 0.00 0.00 174.94 175.75 3gd3 s VAL 368 N 1.68 2.15 -0.14 2.92 1.01 -1.26 0.44 120.40 127.20 3gd3 s VAL 368 Ca -0.00 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 3gd3 s VAL 368 Cb -0.16 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 3gd3 s VAL 368 CO -0.07 0.03 -0.17 1.67 0.00 0.00 0.00 175.10 176.56 3gd3 n GLN 369 N 0.37 0.29 -3.72 2.72 7.27 0.72 -4.63 117.38 120.41 3gd3 n GLN 369 Ca 0.02 0.12 -0.11 0.00 0.07 0.00 0.00 57.00 57.10 3gd3 n GLN 369 Cb 0.40 -1.01 -0.06 0.00 2.41 0.00 0.00 30.24 31.98 3gd3 n GLN 369 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3gd3 s SER 370 N -6.17 -0.14 -0.20 1.69 1.04 -1.19 -4.87 113.70 103.87 3gd3 s SER 370 Ca -0.19 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 55.96 3gd3 s SER 370 Cb 0.07 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.64 3gd3 s SER 370 CO 0.25 -0.70 -0.03 -0.69 0.98 0.00 0.00 173.24 173.04 3gd3 s VAL 371 N -3.09 1.14 0.36 5.02 1.01 -1.26 -1.76 120.40 121.82 3gd3 s VAL 371 Ca -0.01 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3gd3 s VAL 371 Cb 0.01 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3gd3 s VAL 371 CO -0.07 -0.02 0.05 0.61 0.00 0.00 0.00 175.10 175.67 3gd3 n GLY 372 N 4.84 3.59 3.02 4.51 0.00 -0.89 -4.83 105.19 115.43 3gd3 n GLY 372 Ca -0.11 -2.31 -0.31 0.00 0.00 0.00 0.00 46.02 43.29 3gd3 n GLY 372 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gd3 s VAL 373 N -2.22 1.68 0.03 1.61 1.01 -1.26 -1.04 120.40 120.20 3gd3 s VAL 373 Ca 0.04 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3gd3 s VAL 373 Cb -0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3gd3 s VAL 373 CO 0.02 0.33 0.05 -0.94 0.00 0.00 0.00 175.10 174.56 3gd3 s SER 374 N 1.41 0.20 -1.34 3.32 1.04 -0.84 -4.85 113.70 112.64 3gd3 s SER 374 Ca 0.02 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 55.90 3gd3 s SER 374 Cb -0.15 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.18 3gd3 s SER 374 CO -0.10 -0.42 0.34 0.61 0.98 0.00 0.00 173.24 174.65 3gd3 n GLY 375 N 1.10 -0.50 4.22 7.32 0.00 -1.26 -1.48 105.19 114.59 3gd3 n GLY 375 Ca -0.21 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3gd3 n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 376 N -1.15 1.49 4.00 -0.02 0.00 -1.26 -4.95 105.19 103.30 3gd3 n GLY 376 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 3gd3 n GLY 376 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gd3 s ARG 377 N 0.00 2.23 -0.21 1.61 0.52 -0.55 -5.09 118.95 117.46 3gd3 s ARG 377 Ca 0.00 -1.21 -0.15 0.00 -0.52 0.00 0.00 55.73 53.85 3gd3 s ARG 377 Cb 0.00 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 3gd3 s ARG 377 CO 0.00 -0.93 0.36 -0.51 0.02 0.00 0.00 175.30 174.25 3gd3 s LEU 378 N -4.79 4.14 -0.22 2.53 1.43 0.47 -1.98 118.68 120.25 3gd3 s LEU 378 Ca 0.61 0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 54.07 3gd3 s LEU 378 Cb -0.07 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 3gd3 s LEU 378 CO 0.40 -0.07 0.08 -0.22 0.23 0.00 0.00 176.35 176.77 3gd3 s LEU 379 N 1.35 3.66 -0.32 1.79 0.20 -0.21 -0.72 118.68 124.45 3gd3 s LEU 379 Ca 0.17 -0.06 -0.08 0.00 0.69 0.00 0.00 54.13 54.85 3gd3 s LEU 379 Cb -0.15 -1.96 0.01 0.00 -0.43 0.00 0.00 46.19 43.67 3gd3 s LEU 379 CO 0.08 0.06 0.12 -0.63 -0.29 0.00 0.00 176.35 175.68 3gd3 s ILE 380 N 1.08 4.14 -0.06 6.68 1.01 0.98 -2.09 121.20 132.94 3gd3 s ILE 380 Ca 0.05 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 3gd3 s ILE 380 Cb -0.14 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 3gd3 s ILE 380 CO 0.03 -0.01 0.40 -0.54 0.00 0.00 0.00 174.94 174.82 3gd3 s LYS 381 N 1.51 4.07 0.08 2.79 1.02 -0.72 -1.54 119.74 126.94 3gd3 s LYS 381 Ca 0.02 0.35 0.03 0.00 0.02 0.00 0.00 55.97 56.40 3gd3 s LYS 381 Cb -0.18 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 3gd3 s LYS 381 CO 0.04 0.48 0.07 -0.51 -0.92 0.00 0.00 175.35 174.50 3gd3 s LEU 382 N -0.38 3.76 0.60 3.17 1.43 -0.77 -0.20 118.68 126.28 3gd3 s LEU 382 Ca 0.23 -0.02 0.30 0.00 -1.03 0.00 0.00 54.13 53.60 3gd3 s LEU 382 Cb -0.16 -2.43 1.73 0.00 0.03 0.00 0.00 46.19 45.36 3gd3 s LEU 382 CO 0.11 0.18 2.14 0.50 0.23 0.00 0.00 176.35 179.51 3gd3 h LYS 383 N 3.36 0.00 -0.56 1.70 3.11 -0.28 -1.16 116.57 122.75 3gd3 h LYS 383 Ca -0.47 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 3gd3 h LYS 383 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 3gd3 h LYS 383 CO 0.65 0.00 0.00 -0.40 -2.81 0.00 0.00 179.45 176.89 3gd3 n ASP 384 N -3.75 3.37 0.00 4.20 5.68 -1.26 -4.96 116.55 119.83 3gd3 n ASP 384 Ca 0.00 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 3gd3 n ASP 384 Cb 0.26 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 3gd3 n ASP 384 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gd3 n GLY 385 N 1.51 2.58 3.50 6.12 0.00 -0.44 -5.08 105.19 113.38 3gd3 n GLY 385 Ca 0.21 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 3gd3 n GLY 385 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gd3 n ARG 386 N 0.00 0.36 -3.67 1.61 1.74 -1.26 -4.68 116.66 110.76 3gd3 n ARG 386 Ca 0.00 0.16 -0.20 0.00 -0.77 0.00 0.00 57.85 57.04 3gd3 n ARG 386 Cb 0.00 -1.91 -0.18 0.00 -1.02 0.00 0.00 32.46 29.35 3gd3 n ARG 386 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3gd3 s LYS 387 N -2.86 -0.07 -0.19 5.56 -2.85 -1.26 -1.85 119.74 116.22 3gd3 s LYS 387 Ca 0.67 0.38 -0.10 0.00 -1.00 0.00 0.00 55.97 55.92 3gd3 s LYS 387 Cb -0.35 -0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 34.84 3gd3 s LYS 387 CO 0.56 -0.34 0.16 0.08 0.10 0.00 0.00 175.35 175.91 3gd3 s VAL 388 N 2.17 5.40 -0.16 1.79 1.01 -0.59 -4.96 120.40 125.06 3gd3 s VAL 388 Ca 0.05 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 3gd3 s VAL 388 Cb -0.12 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 3gd3 s VAL 388 CO -0.03 0.44 -0.10 -0.70 0.00 0.00 0.00 175.10 174.71 3gd3 s GLU 389 N 0.29 3.39 0.30 2.72 2.12 -1.26 -0.01 118.70 126.24 3gd3 s GLU 389 Ca 0.10 -0.66 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 3gd3 s GLU 389 Cb -0.11 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.51 3gd3 s GLU 389 CO -0.01 0.08 0.47 -0.08 -0.54 0.00 0.00 175.26 175.18 3gd3 s THR 390 N 0.72 0.00 -0.23 -1.70 -1.32 0.11 -5.00 115.64 108.21 3gd3 s THR 390 Ca -0.05 -1.51 0.08 0.00 -1.21 0.00 0.00 61.69 59.01 3gd3 s THR 390 Cb -0.15 -2.47 -0.20 0.00 -1.51 0.00 0.00 72.50 68.17 3gd3 s THR 390 CO 0.02 0.00 -0.09 0.47 -2.21 0.00 0.00 174.62 172.81 3gd3 n ASP 391 N -0.90 1.21 -3.77 8.08 9.92 0.36 -0.40 116.55 131.05 3gd3 n ASP 391 Ca -0.01 -0.07 -0.13 0.00 -0.53 0.00 0.00 54.79 54.05 3gd3 n ASP 391 Cb 0.62 0.12 -0.11 0.00 -0.64 0.00 0.00 41.12 41.12 3gd3 n ASP 391 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 3gd3 s HIS 392 N -2.51 -0.28 -0.16 1.24 2.46 -1.01 -4.73 115.29 110.31 3gd3 s HIS 392 Ca -0.25 0.65 -0.00 0.00 0.47 0.00 0.00 55.06 55.93 3gd3 s HIS 392 Cb 0.08 0.10 -0.01 0.00 -0.13 0.00 0.00 32.58 32.62 3gd3 s HIS 392 CO 0.69 -0.21 -0.13 0.42 -2.47 0.00 0.00 174.74 173.04 3gd3 s ILE 393 N -0.20 2.84 -0.18 0.89 1.01 -1.04 -0.02 121.20 124.50 3gd3 s ILE 393 Ca -0.03 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.90 3gd3 s ILE 393 Cb -0.03 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.24 3gd3 s ILE 393 CO 0.01 0.51 -0.15 -0.69 0.00 0.00 0.00 174.94 174.62 3gd3 s VAL 394 N 0.77 2.60 -0.18 2.92 1.01 -0.50 -1.68 120.40 125.33 3gd3 s VAL 394 Ca -0.05 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3gd3 s VAL 394 Cb -0.15 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 3gd3 s VAL 394 CO 0.01 0.50 -0.06 0.42 0.00 0.00 0.00 175.10 175.97 3gd3 s THR 395 N 1.13 3.42 -0.53 3.92 -4.23 -0.93 -1.72 115.64 116.69 3gd3 s THR 395 Ca 0.01 -0.50 0.06 0.00 -1.18 0.00 0.00 61.69 60.07 3gd3 s THR 395 Cb -0.14 -2.51 0.21 0.00 1.34 0.00 0.00 72.50 71.40 3gd3 s THR 395 CO -0.05 0.47 0.53 0.00 -0.54 0.00 0.00 174.62 175.03 3gd3 n ALA 396 N 4.14 3.20 -2.27 3.99 0.00 0.13 -4.23 120.51 125.48 3gd3 n ALA 396 Ca -0.18 -3.96 -0.12 0.00 0.00 0.00 0.00 53.44 49.19 3gd3 n ALA 396 Cb 0.52 -0.87 0.05 0.00 0.00 0.00 0.00 19.45 19.15 3gd3 n ALA 396 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3gd3 n VAL 397 N 1.72 1.94 0.00 0.00 0.24 -1.26 -4.37 118.33 116.60 3gd3 n VAL 397 Ca 0.25 -3.51 0.00 0.00 -2.04 0.00 0.00 64.34 59.05 3gd3 n VAL 397 Cb 0.44 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 3gd3 n VAL 397 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gd3 n GLY 398 N -0.64 3.13 3.27 7.63 0.00 -1.26 -4.76 105.19 112.56 3gd3 n GLY 398 Ca 0.27 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 3gd3 n GLY 398 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gd3 s LEU 399 N 0.00 2.04 -0.16 0.99 2.96 -1.26 -1.19 118.68 122.07 3gd3 s LEU 399 Ca 0.00 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3gd3 s LEU 399 Cb 0.00 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 3gd3 s LEU 399 CO 0.00 0.28 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.51 3gd3 s GLU 400 N -0.48 3.37 0.09 1.98 2.56 -0.03 -4.82 118.70 121.37 3gd3 s GLU 400 Ca 0.07 -0.67 -0.30 0.00 0.00 0.00 0.00 54.97 54.06 3gd3 s GLU 400 Cb -0.10 -2.75 -0.06 0.00 2.00 0.00 0.00 34.13 33.22 3gd3 s GLU 400 CO -0.00 0.07 1.19 -2.14 -0.56 0.00 0.00 175.26 173.82 3gd3 s PRO 401 N 0.73 4.45 -0.64 4.30 0.02 -1.26 -0.50 135.00 142.10 3gd3 s PRO 401 Ca -0.05 1.78 -0.27 0.00 0.02 0.00 0.00 61.00 62.49 3gd3 s PRO 401 Cb -0.15 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 3gd3 s PRO 401 CO 0.02 -0.21 1.77 -0.80 -0.33 0.00 0.00 177.00 177.45 3gd3 s ASN 402 N 0.85 5.41 -0.14 2.53 0.02 -0.74 -4.79 114.94 118.08 3gd3 s ASN 402 Ca 0.57 0.19 0.17 0.00 -1.02 0.00 0.00 52.86 52.77 3gd3 s ASN 402 Cb -0.30 -2.53 0.30 0.00 0.02 0.00 0.00 41.25 38.74 3gd3 s ASN 402 CO 0.31 -2.29 1.16 1.33 0.02 0.00 0.00 177.10 177.62 3gd3 n VAL 403 N 7.08 1.84 0.26 1.60 0.24 -1.26 -4.72 118.33 123.37 3gd3 n VAL 403 Ca 0.18 -2.34 0.16 0.00 -2.04 0.00 0.00 64.34 60.30 3gd3 n VAL 403 Cb 0.52 -0.19 0.89 0.00 -1.47 0.00 0.00 33.84 33.59 3gd3 n VAL 403 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3gd3 h GLU 404 N 0.22 0.00 0.00 7.34 5.08 -2.00 -1.33 114.58 123.89 3gd3 h GLU 404 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gd3 h GLU 404 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3gd3 h GLU 404 CO 0.00 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.94 3gd3 h LEU 405 N 0.00 0.00 -1.19 1.33 3.38 -1.92 -3.31 115.31 113.59 3gd3 h LEU 405 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3gd3 h LEU 405 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3gd3 h LEU 405 CO -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.31 3gd3 h ALA 406 N 2.04 1.04 -0.05 1.53 0.00 -1.58 -3.12 119.26 119.12 3gd3 h ALA 406 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3gd3 h ALA 406 Cb 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3gd3 h ALA 406 CO 0.00 0.27 -0.26 -0.22 0.00 0.00 0.00 179.25 179.04 3gd3 h LYS 407 N 0.00 0.27 -0.09 0.00 3.64 -1.74 -0.78 116.57 117.87 3gd3 h LYS 407 Ca -0.00 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 3gd3 h LYS 407 Cb 0.71 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3gd3 h LYS 407 CO 0.03 0.87 -0.07 1.79 -2.27 0.00 0.00 179.45 179.79 3gd3 h THR 408 N -0.27 1.36 -0.08 1.00 1.35 -1.80 -3.34 112.91 111.13 3gd3 h THR 408 Ca -0.02 -1.20 -0.16 0.00 -0.55 0.00 0.00 66.41 64.49 3gd3 h THR 408 Cb 0.92 1.97 0.01 0.00 -1.73 0.00 0.00 68.15 69.31 3gd3 h THR 408 CO 0.05 0.34 -0.56 1.23 -0.25 0.00 0.00 175.52 176.33 3gd3 h GLY 409 N -0.21 0.58 -0.48 5.82 0.00 -1.48 -3.46 103.07 103.85 3gd3 h GLY 409 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.49 3gd3 h GLY 409 CO 0.02 0.76 0.00 0.61 0.00 0.00 0.00 176.54 177.93 3gd3 n GLY 410 N 0.78 0.56 3.90 4.60 0.00 -0.31 -4.53 105.19 110.20 3gd3 n GLY 410 Ca -0.08 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3gd3 n GLY 410 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gd3 s LEU 411 N -0.48 4.15 0.15 0.99 1.43 -1.16 -5.07 118.68 118.69 3gd3 s LEU 411 Ca 0.00 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 3gd3 s LEU 411 Cb 0.00 -2.72 -0.07 0.00 0.03 0.00 0.00 46.19 43.43 3gd3 s LEU 411 CO 0.00 0.01 1.20 -0.70 0.23 0.00 0.00 176.35 177.09 3gd3 s GLU 412 N -3.48 4.48 0.28 1.70 2.12 -1.26 -4.86 118.70 117.68 3gd3 s GLU 412 Ca 0.33 1.85 0.07 0.00 0.36 0.00 0.00 54.97 57.59 3gd3 s GLU 412 Cb -0.10 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 3gd3 s GLU 412 CO 0.27 -0.13 0.22 0.42 -0.54 0.00 0.00 175.26 175.50 3gd3 s ILE 413 N 0.24 4.06 -0.32 -3.70 1.01 -1.26 0.50 121.20 121.73 3gd3 s ILE 413 Ca 0.54 -1.42 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 3gd3 s ILE 413 Cb -0.32 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3gd3 s ILE 413 CO 0.34 -0.29 0.15 -0.62 0.00 0.00 0.00 174.94 174.53 3gd3 s ASP 414 N -3.89 5.54 0.32 3.58 -1.08 0.89 -4.71 116.67 117.32 3gd3 s ASP 414 Ca 0.36 -0.62 0.26 0.00 -0.52 0.00 0.00 52.55 52.02 3gd3 s ASP 414 Cb -0.07 -1.99 0.96 0.00 -1.46 0.00 0.00 42.92 40.36 3gd3 s ASP 414 CO 0.25 -0.23 1.77 0.77 0.52 0.00 0.00 175.17 178.26 3gd3 h SER 415 N 8.35 0.00 0.00 -0.34 4.64 -1.92 1.40 113.55 125.69 3gd3 h SER 415 Ca -0.31 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.97 3gd3 h SER 415 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3gd3 h SER 415 CO 0.62 0.00 -0.32 0.44 -0.87 0.00 0.00 176.83 176.70 3gd3 h ASP 416 N 0.00 0.00 0.00 4.97 3.45 -1.98 -3.41 116.42 119.44 3gd3 h ASP 416 Ca 0.00 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.09 3gd3 h ASP 416 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 3gd3 h ASP 416 CO 0.00 0.87 -1.46 0.49 -1.57 0.00 0.00 179.24 177.57 3gd3 n PHE 417 N -4.64 0.00 0.00 4.55 3.72 -1.22 -5.10 117.46 114.77 3gd3 n PHE 417 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3gd3 n PHE 417 Cb 0.31 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3gd3 n PHE 417 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gd3 n GLY 418 N 1.41 -2.61 0.00 1.37 0.00 0.48 -4.88 105.19 100.96 3gd3 n GLY 418 Ca -0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3gd3 n GLY 418 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 419 N -1.61 -0.92 3.69 -0.02 0.00 -1.26 -4.38 105.19 100.69 3gd3 n GLY 419 Ca 0.00 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 3gd3 n GLY 419 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gd3 s PHE 420 N -2.23 2.44 -0.40 1.61 0.40 -0.34 -0.08 117.98 119.38 3gd3 s PHE 420 Ca 0.00 0.26 -0.29 0.00 -0.60 0.00 0.00 56.93 56.31 3gd3 s PHE 420 Cb 0.00 -4.02 0.00 0.00 0.51 0.00 0.00 43.02 39.51 3gd3 s PHE 420 CO 0.00 -4.10 1.48 1.03 0.70 0.00 0.00 175.22 174.33 3gd3 s ARG 421 N 2.44 3.52 0.41 0.44 0.52 0.18 -0.86 118.95 125.60 3gd3 s ARG 421 Ca 0.75 1.01 0.07 0.00 -0.52 0.00 0.00 55.73 57.05 3gd3 s ARG 421 Cb -0.42 -4.06 -0.05 0.00 0.52 0.00 0.00 34.95 30.94 3gd3 s ARG 421 CO 0.33 -1.63 0.21 0.14 0.02 0.00 0.00 175.30 174.37 3gd3 s VAL 422 N 5.72 2.40 0.00 3.52 -7.23 0.08 -4.60 120.40 120.30 3gd3 s VAL 422 Ca 0.64 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 3gd3 s VAL 422 Cb -0.15 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.79 3gd3 s VAL 422 CO 0.33 -0.01 0.00 -0.46 -0.31 0.00 0.00 175.10 174.65 3gd3 n ASN 423 N -1.28 0.00 0.28 4.85 2.04 -0.28 -3.65 115.26 117.21 3gd3 n ASN 423 Ca -0.00 -0.91 0.15 0.00 -0.44 0.00 0.00 54.58 53.37 3gd3 n ASN 423 Cb 0.64 0.00 0.80 0.00 -2.53 0.00 0.00 39.78 38.69 3gd3 n ASN 423 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3gd3 h ALA 424 N -0.76 1.25 -0.27 -2.53 0.00 -1.91 0.70 119.26 115.74 3gd3 h ALA 424 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3gd3 h ALA 424 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3gd3 h ALA 424 CO 0.00 0.10 0.09 0.39 0.00 0.00 0.00 179.25 179.83 3gd3 n GLU 425 N -3.54 2.10 -4.15 0.00 1.02 -1.26 -1.70 120.64 113.12 3gd3 n GLU 425 Ca -0.02 -1.15 -0.40 0.00 -0.02 0.00 0.00 57.16 55.58 3gd3 n GLU 425 Cb 0.21 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 3gd3 n GLU 425 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gd3 n LEU 426 N 0.11 -0.69 -4.00 -4.62 4.77 0.24 -4.94 117.00 107.88 3gd3 n LEU 426 Ca 0.14 -1.27 -0.22 0.00 -0.03 0.00 0.00 56.01 54.63 3gd3 n LEU 426 Cb 0.72 -1.67 -0.16 0.00 -2.33 0.00 0.00 43.42 39.98 3gd3 n LEU 426 CO 0.16 0.66 -0.45 -1.58 -1.33 0.00 0.00 177.39 174.85 3gd3 s GLN 427 N -7.33 1.26 -0.19 3.23 0.74 -1.25 -3.10 119.66 113.03 3gd3 s GLN 427 Ca 0.29 -0.32 -0.15 0.00 0.05 0.00 0.00 55.36 55.23 3gd3 s GLN 427 Cb -0.16 -1.12 -0.08 0.00 1.10 0.00 0.00 33.01 32.76 3gd3 s GLN 427 CO 0.97 0.05 -0.24 0.00 -0.55 0.00 0.00 175.29 175.52 3gd3 n ALA 428 N 3.63 0.81 -2.53 1.58 0.00 -0.64 -1.13 120.51 122.23 3gd3 n ALA 428 Ca -0.22 -0.72 -0.10 0.00 0.00 0.00 0.00 53.44 52.40 3gd3 n ALA 428 Cb 0.52 -0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 3gd3 n ALA 428 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gd3 s ARG 429 N -2.60 1.11 -0.01 0.00 0.52 -1.17 -4.94 118.95 111.87 3gd3 s ARG 429 Ca -0.27 -1.29 -0.39 0.00 -0.52 0.00 0.00 55.73 53.26 3gd3 s ARG 429 Cb 0.06 0.33 -0.18 0.00 0.52 0.00 0.00 34.95 35.68 3gd3 s ARG 429 CO 0.40 -0.38 1.29 0.43 0.02 0.00 0.00 175.30 177.06 3gd3 n SER 430 N -0.19 1.09 -2.51 0.23 7.64 -1.26 -0.31 113.62 118.31 3gd3 n SER 430 Ca -0.06 1.13 -0.20 0.00 1.01 0.00 0.00 58.87 60.75 3gd3 n SER 430 Cb 0.63 -1.07 0.01 0.00 -1.01 0.00 0.00 64.21 62.77 3gd3 n SER 430 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gd3 n ASN 431 N 2.48 -5.79 -3.51 6.43 3.02 -1.26 -4.99 115.26 111.63 3gd3 n ASN 431 Ca 0.20 -0.12 -0.12 0.00 -0.03 0.00 0.00 54.58 54.52 3gd3 n ASN 431 Cb 0.13 -4.74 -0.10 0.00 -0.61 0.00 0.00 39.78 34.46 3gd3 n ASN 431 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gd3 s ILE 432 N -3.06 -0.51 0.17 2.41 -1.09 0.58 -2.67 121.20 117.03 3gd3 s ILE 432 Ca 0.11 0.05 0.11 0.00 -2.23 0.00 0.00 60.65 58.69 3gd3 s ILE 432 Cb -0.05 -0.67 -0.04 0.00 -1.58 0.00 0.00 42.46 40.12 3gd3 s ILE 432 CO 0.14 -0.04 -0.23 0.26 -1.23 0.00 0.00 174.94 173.84 3gd3 s TRP 433 N 2.49 2.36 0.09 3.97 0.51 -0.62 -1.63 118.94 126.11 3gd3 s TRP 433 Ca 0.06 -0.34 0.08 0.00 -2.12 0.00 0.00 56.10 53.79 3gd3 s TRP 433 Cb -0.14 -1.20 -0.03 0.00 -0.81 0.00 0.00 33.47 31.28 3gd3 s TRP 433 CO -0.13 0.45 -0.22 0.08 -0.51 0.00 0.00 176.95 176.63 3gd3 s VAL 434 N -1.48 1.80 0.06 4.03 1.01 -1.18 -0.80 120.40 123.84 3gd3 s VAL 434 Ca 0.19 -1.48 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 3gd3 s VAL 434 Cb -0.09 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.72 3gd3 s VAL 434 CO 0.10 0.04 0.41 0.00 0.00 0.00 0.00 175.10 175.65 3gd3 s ALA 435 N -1.04 -0.99 0.00 5.51 0.00 -1.03 -4.74 121.76 119.46 3gd3 s ALA 435 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3gd3 s ALA 435 Cb -0.10 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.45 3gd3 s ALA 435 CO 0.04 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.71 3gd3 n GLY 436 N 0.34 0.70 0.13 0.00 0.00 -1.26 -4.24 105.19 100.86 3gd3 n GLY 436 Ca -0.18 -1.38 0.12 0.00 0.00 0.00 0.00 46.02 44.59 3gd3 n GLY 436 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gd3 n ASP 437 N 1.46 0.71 -1.12 1.61 10.43 -1.26 -2.65 116.55 125.72 3gd3 n ASP 437 Ca 0.00 0.65 0.12 0.00 2.57 0.00 0.00 54.79 58.13 3gd3 n ASP 437 Cb 0.00 -0.81 0.24 0.00 1.84 0.00 0.00 41.12 42.39 3gd3 n ASP 437 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gd3 n ALA 438 N -1.78 2.43 -3.19 2.24 0.00 -1.26 -4.82 120.51 114.13 3gd3 n ALA 438 Ca 0.03 -0.98 -0.46 0.00 0.00 0.00 0.00 53.44 52.03 3gd3 n ALA 438 Cb 0.27 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3gd3 n ALA 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gd3 s ALA 439 N -1.48 3.73 -0.92 0.00 0.00 -1.09 -1.19 121.76 120.82 3gd3 s ALA 439 Ca 0.39 -2.88 -0.24 0.00 0.00 0.00 0.00 51.96 49.23 3gd3 s ALA 439 Cb 0.23 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.78 3gd3 s ALA 439 CO 0.31 -2.43 1.35 0.00 0.00 0.00 0.00 175.76 175.00 3gd3 s PHE 441 N 4.91 3.21 0.26 0.00 -0.71 -0.48 -0.74 117.98 124.43 3gd3 s PHE 441 Ca 0.41 -0.05 -0.21 0.00 -1.04 0.00 0.00 56.93 56.03 3gd3 s PHE 441 Cb -0.03 -1.48 -0.09 0.00 -1.21 0.00 0.00 43.02 40.21 3gd3 s PHE 441 CO -0.02 0.51 0.79 -0.47 -1.34 0.00 0.00 175.22 174.68 3gd3 s TYR 442 N -1.98 3.64 -0.26 3.49 5.04 -1.24 -0.40 117.35 125.64 3gd3 s TYR 442 Ca 0.33 1.49 -0.03 0.00 -2.44 0.00 0.00 57.07 56.41 3gd3 s TYR 442 Cb -0.09 -2.70 0.09 0.00 0.35 0.00 0.00 41.96 39.61 3gd3 s TYR 442 CO 0.26 0.29 0.10 0.34 -1.34 0.00 0.00 175.55 175.20 3gd3 s ASP 443 N -1.68 3.36 0.00 4.32 2.15 -0.53 -4.31 116.67 119.98 3gd3 s ASP 443 Ca 0.46 -1.19 0.00 0.00 0.43 0.00 0.00 52.55 52.25 3gd3 s ASP 443 Cb -0.17 -0.47 0.00 0.00 -0.30 0.00 0.00 42.92 41.99 3gd3 s ASP 443 CO 0.21 -0.40 0.97 -0.38 -0.17 0.00 0.00 175.17 175.40 3gd3 n ILE 444 N 5.15 0.00 -0.43 4.11 5.41 -1.26 0.42 119.36 132.76 3gd3 n ILE 444 Ca -0.06 1.46 -0.05 0.00 1.00 0.00 0.00 62.75 65.10 3gd3 n ILE 444 Cb 0.44 -1.95 -0.07 0.00 -0.71 0.00 0.00 39.64 37.35 3gd3 n ILE 444 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3gd3 n LYS 445 N -2.95 0.86 0.00 0.38 4.76 -1.26 -3.04 118.16 116.91 3gd3 n LYS 445 Ca 0.00 -0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 3gd3 n LYS 445 Cb 0.00 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 3gd3 n LYS 445 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3gd3 n LEU 446 N 2.67 0.00 0.00 -0.35 0.00 -0.72 -5.09 117.00 113.51 3gd3 n LEU 446 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.18 3gd3 n LEU 446 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.82 3gd3 n LEU 446 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.17 3gd3 n GLY 447 N 0.00 -2.52 3.73 -3.96 0.00 1.42 -4.97 105.19 98.89 3gd3 n GLY 447 Ca 0.00 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 3gd3 n GLY 447 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gd3 n ARG 448 N -0.07 2.71 -4.12 1.61 0.63 -1.26 -1.46 116.66 114.70 3gd3 n ARG 448 Ca 0.00 0.97 -0.13 0.00 -0.92 0.00 0.00 57.85 57.77 3gd3 n ARG 448 Cb 0.00 -2.78 -0.07 0.00 0.45 0.00 0.00 32.46 30.06 3gd3 n ARG 448 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3gd3 s ARG 449 N 0.16 1.54 -0.24 -0.14 0.52 0.46 -4.90 118.95 116.35 3gd3 s ARG 449 Ca 0.69 -1.59 -0.07 0.00 -0.52 0.00 0.00 55.73 54.23 3gd3 s ARG 449 Cb -0.50 0.38 0.11 0.00 0.52 0.00 0.00 34.95 35.46 3gd3 s ARG 449 CO 0.42 -0.59 0.49 0.50 0.02 0.00 0.00 175.30 176.14 3gd3 s ARG 450 N -3.76 0.41 0.31 3.54 3.52 -1.26 -1.38 118.95 120.33 3gd3 s ARG 450 Ca 0.32 1.11 0.10 0.00 -0.13 0.00 0.00 55.73 57.14 3gd3 s ARG 450 Cb 0.02 0.44 -0.05 0.00 -1.56 0.00 0.00 34.95 33.80 3gd3 s ARG 450 CO 0.15 -0.29 -0.06 0.14 -0.81 0.00 0.00 175.30 174.42 3gd3 s VAL 451 N 2.71 2.65 -0.43 7.11 -7.23 -1.26 -5.06 120.40 118.88 3gd3 s VAL 451 Ca -0.00 -2.11 0.08 0.00 -1.81 0.00 0.00 61.98 58.14 3gd3 s VAL 451 Cb -0.12 -2.66 0.41 0.00 0.56 0.00 0.00 36.38 34.57 3gd3 s VAL 451 CO -0.15 -0.28 1.02 -0.62 -0.31 0.00 0.00 175.10 174.76 3gd3 n GLU 452 N -0.83 2.71 -3.74 4.82 1.02 -1.26 -4.35 120.64 119.00 3gd3 n GLU 452 Ca -0.05 -4.20 -0.24 0.00 -0.02 0.00 0.00 57.16 52.65 3gd3 n GLU 452 Cb 0.61 -1.98 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 3gd3 n GLU 452 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3gd3 s HIS 453 N -3.36 3.48 -0.04 -0.32 3.76 -1.26 -5.00 115.29 112.54 3gd3 s HIS 453 Ca 0.43 0.19 -0.24 0.00 -0.15 0.00 0.00 55.06 55.29 3gd3 s HIS 453 Cb 0.39 -1.74 -0.23 0.00 1.11 0.00 0.00 32.58 32.11 3gd3 s HIS 453 CO -0.12 0.35 1.05 1.25 -0.85 0.00 0.00 174.74 176.42 3gd3 h HIS 454 N 1.41 0.29 -0.50 1.40 2.76 -1.98 -1.73 115.15 116.80 3gd3 h HIS 454 Ca -0.50 -0.15 0.10 0.00 -2.20 0.00 0.00 60.37 57.62 3gd3 h HIS 454 Cb 1.21 -0.04 -0.10 0.00 1.55 0.00 0.00 27.41 30.04 3gd3 h HIS 454 CO 0.50 0.95 -0.23 0.22 -1.30 0.00 0.00 177.93 178.08 3gd3 h ASP 455 N -0.44 -0.78 -0.49 3.26 3.58 -1.95 0.16 116.42 119.76 3gd3 h ASP 455 Ca -0.03 0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.65 3gd3 h ASP 455 Cb 1.02 0.42 -0.05 0.00 1.72 0.00 0.00 39.33 42.45 3gd3 h ASP 455 CO 0.06 -0.25 0.23 -0.74 -2.88 0.00 0.00 179.24 175.66 3gd3 h HIS 456 N -0.11 0.42 -0.70 0.28 2.76 -1.81 -0.31 115.15 115.67 3gd3 h HIS 456 Ca 0.23 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 3gd3 h HIS 456 Cb 0.47 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 3gd3 h HIS 456 CO -0.50 0.19 0.36 0.00 -1.30 0.00 0.00 177.93 176.68 3gd3 h ALA 457 N 1.28 0.90 0.58 5.26 0.00 -0.33 0.20 119.26 127.15 3gd3 h ALA 457 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gd3 h ALA 457 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gd3 h ALA 457 CO -0.17 0.44 -0.47 0.28 0.00 0.00 0.00 179.25 179.33 3gd3 h VAL 458 N 0.97 0.00 0.55 0.00 2.07 -0.22 -2.12 116.25 117.50 3gd3 h VAL 458 Ca 0.24 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.74 3gd3 h VAL 458 Cb 0.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3gd3 h VAL 458 CO -0.03 0.00 -0.30 0.58 0.02 0.00 0.00 177.57 177.83 3gd3 h VAL 459 N -1.03 0.00 -0.94 2.57 2.07 -0.82 -1.77 116.25 116.33 3gd3 h VAL 459 Ca -0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.62 3gd3 h VAL 459 Cb 0.86 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 3gd3 h VAL 459 CO 0.00 0.00 0.54 0.77 0.02 0.00 0.00 177.57 178.90 3gd3 h SER 460 N -0.79 0.68 0.31 0.57 4.64 -0.69 -0.07 113.55 118.19 3gd3 h SER 460 Ca -0.07 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3gd3 h SER 460 Cb 0.62 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 3gd3 h SER 460 CO 0.09 0.26 -0.47 1.23 -0.87 0.00 0.00 176.83 177.07 3gd3 h GLY 461 N 0.71 -1.20 0.00 -0.77 0.00 -1.26 1.66 103.07 102.21 3gd3 h GLY 461 Ca 0.53 0.60 0.00 0.00 0.00 0.00 0.00 47.33 48.46 3gd3 h GLY 461 CO -0.38 -0.33 0.00 -2.13 0.00 0.00 0.00 176.54 173.70 3gd3 n ARG 462 N -5.20 0.00 -0.20 4.80 0.63 -0.30 -0.21 116.66 116.18 3gd3 n ARG 462 Ca -0.10 0.66 0.11 0.00 -0.92 0.00 0.00 57.85 57.60 3gd3 n ARG 462 Cb 0.40 -1.20 0.20 0.00 0.45 0.00 0.00 32.46 32.32 3gd3 n ARG 462 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3gd3 n LEU 463 N -1.73 -0.02 -0.17 6.15 7.94 -0.20 0.11 117.00 129.09 3gd3 n LEU 463 Ca 0.00 1.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.97 3gd3 n LEU 463 Cb 0.00 -0.38 0.37 0.00 0.53 0.00 0.00 43.42 43.94 3gd3 n LEU 463 CO 0.00 -1.03 1.21 0.00 -1.11 0.00 0.00 177.39 176.46 3gd3 h ALA 464 N 1.18 1.75 0.00 1.96 0.00 0.58 -0.35 119.26 124.37 3gd3 h ALA 464 Ca 0.38 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 3gd3 h ALA 464 Cb 0.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3gd3 h ALA 464 CO -0.54 0.13 -0.90 0.78 0.00 0.00 0.00 179.25 178.72 3gd3 h GLY 465 N 0.70 0.00 0.48 0.00 0.00 0.26 -3.00 103.07 101.51 3gd3 h GLY 465 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 3gd3 h GLY 465 CO -0.10 0.00 -0.08 -2.09 0.00 0.00 0.00 176.54 174.27 3gd3 h GLU 466 N 0.00 0.10 -0.58 4.80 4.81 -0.31 -3.01 114.58 120.40 3gd3 h GLU 466 Ca -0.06 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3gd3 h GLU 466 Cb 1.31 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 3gd3 h GLU 466 CO 0.03 0.69 0.22 -0.91 -0.73 0.00 0.00 179.01 178.31 3gd3 h ASN 467 N -0.46 0.77 -0.71 1.04 -0.26 -1.21 -2.94 115.58 111.81 3gd3 h ASN 467 Ca -0.00 -0.10 0.06 0.00 -0.56 0.00 0.00 56.30 55.69 3gd3 h ASN 467 Cb 0.69 -0.20 -0.06 0.00 -1.06 0.00 0.00 38.32 37.70 3gd3 h ASN 467 CO 0.02 0.70 0.41 0.24 -1.06 0.00 0.00 177.43 177.74 3gd3 h MET 468 N 0.83 0.73 -3.12 0.81 2.86 -1.44 -2.48 114.93 113.12 3gd3 h MET 468 Ca 0.20 -0.04 -0.74 0.00 -2.06 0.00 0.00 59.70 57.06 3gd3 h MET 468 Cb 0.18 -0.16 -0.11 0.00 0.06 0.00 0.00 31.60 31.57 3gd3 h MET 468 CO -0.02 0.48 2.50 0.25 1.06 0.00 0.00 176.91 181.19 3gd3 n THR 469 N -4.75 4.64 -4.16 2.22 -2.24 -1.12 -4.83 114.28 104.03 3gd3 n THR 469 Ca 0.09 -4.04 -0.29 0.00 -2.27 0.00 0.00 64.05 57.54 3gd3 n THR 469 Cb 0.17 -2.29 -0.09 0.00 -2.10 0.00 0.00 70.33 66.02 3gd3 n THR 469 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gd3 n GLY 470 N 2.55 -0.14 0.41 3.38 0.00 -0.94 -4.85 105.19 105.61 3gd3 n GLY 470 Ca 0.55 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.80 3gd3 n GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gd3 n ALA 471 N -4.19 3.13 -3.63 4.61 0.00 -1.14 -4.99 120.51 114.29 3gd3 n ALA 471 Ca -0.26 -0.56 -0.26 0.00 0.00 0.00 0.00 53.44 52.36 3gd3 n ALA 471 Cb 0.61 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 3gd3 n ALA 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gd3 n ALA 472 N 0.01 -1.04 -2.87 0.00 0.00 -1.26 -4.86 120.51 110.49 3gd3 n ALA 472 Ca 0.07 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 3gd3 n ALA 472 Cb 0.36 -1.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 3gd3 n ALA 472 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3gd3 s LYS 473 N -5.97 3.36 1.22 0.00 2.20 -1.26 -5.03 119.74 114.26 3gd3 s LYS 473 Ca 0.51 -0.29 -0.15 0.00 -0.36 0.00 0.00 55.97 55.69 3gd3 s LYS 473 Cb -0.30 -3.08 0.29 0.00 -1.51 0.00 0.00 37.83 33.23 3gd3 s LYS 473 CO 0.63 0.71 0.83 -2.30 -0.36 0.00 0.00 175.35 174.86 3gd3 n PRO 474 N 1.38 -2.80 -3.78 4.03 -0.02 -1.26 -4.25 135.00 128.30 3gd3 n PRO 474 Ca -0.15 -0.80 -0.36 0.00 -2.02 0.00 0.00 63.50 60.17 3gd3 n PRO 474 Cb 0.53 -2.04 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 3gd3 n PRO 474 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3gd3 s TYR 475 N -2.32 3.09 0.00 6.00 5.04 -0.69 -4.87 117.35 123.61 3gd3 s TYR 475 Ca 0.66 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 3gd3 s TYR 475 Cb -0.22 -2.22 0.00 0.00 0.35 0.00 0.00 41.96 39.87 3gd3 s TYR 475 CO 0.64 -0.32 0.00 0.91 -1.34 0.00 0.00 175.55 175.44 3gd3 n TRP 476 N 4.82 0.00 -1.54 4.97 7.02 -1.26 -4.79 117.44 126.66 3gd3 n TRP 476 Ca -0.16 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.94 3gd3 n TRP 476 Cb 0.51 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.45 3gd3 n TRP 476 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 3gd3 n HIS 477 N -1.13 0.18 -3.65 -5.99 -0.00 -1.26 -4.98 115.22 98.38 3gd3 n HIS 477 Ca 0.00 0.43 -0.39 0.00 0.46 0.00 0.00 57.72 58.22 3gd3 n HIS 477 Cb 0.00 -2.06 -0.10 0.00 -0.12 0.00 0.00 29.99 27.71 3gd3 n HIS 477 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 3gd3 s GLN 478 N -2.55 2.33 0.43 1.57 -0.21 -1.26 -5.08 119.66 114.89 3gd3 s GLN 478 Ca 0.73 -1.71 -0.26 0.00 0.02 0.00 0.00 55.36 54.15 3gd3 s GLN 478 Cb -0.42 -3.75 -0.08 0.00 1.00 0.00 0.00 33.01 29.76 3gd3 s GLN 478 CO 0.50 -1.09 1.38 0.45 -2.12 0.00 0.00 175.29 174.41 3gd3 s SER 479 N 2.22 6.05 0.01 5.90 0.15 -1.26 -4.98 113.70 121.79 3gd3 s SER 479 Ca 0.06 2.82 0.07 0.00 0.70 0.00 0.00 55.95 59.60 3gd3 s SER 479 Cb -0.24 -2.65 -0.02 0.00 -1.71 0.00 0.00 66.02 61.40 3gd3 s SER 479 CO -0.01 -1.05 -0.22 0.00 1.20 0.00 0.00 173.24 173.16 3gd3 s MET 480 N -2.37 1.65 0.15 5.44 0.23 -1.26 -4.33 119.30 118.81 3gd3 s MET 480 Ca 0.59 -0.89 0.05 0.00 -1.03 0.00 0.00 55.69 54.42 3gd3 s MET 480 Cb -0.42 -1.68 -0.04 0.00 -1.53 0.00 0.00 34.83 31.16 3gd3 s MET 480 CO 0.54 0.45 0.08 0.12 -2.03 0.00 0.00 175.02 174.17 3gd3 s PHE 481 N -0.65 3.05 0.01 3.16 5.36 -0.33 -4.27 117.98 124.30 3gd3 s PHE 481 Ca 0.09 -0.04 -0.16 0.00 -0.96 0.00 0.00 56.93 55.86 3gd3 s PHE 481 Cb -0.09 -1.49 0.03 0.00 -0.34 0.00 0.00 43.02 41.13 3gd3 s PHE 481 CO 0.00 0.51 0.35 1.67 -1.46 0.00 0.00 175.22 176.30 3gd3 s TRP 482 N -1.65 -0.20 0.00 10.12 -2.14 -1.26 -1.48 118.94 122.33 3gd3 s TRP 482 Ca 0.29 0.24 0.01 0.00 2.66 0.00 0.00 56.10 59.31 3gd3 s TRP 482 Cb -0.10 0.13 -0.00 0.00 -3.10 0.00 0.00 33.47 30.40 3gd3 s TRP 482 CO 0.21 -0.46 -0.04 0.45 -2.66 0.00 0.00 176.95 174.46 3gd3 s SER 483 N -1.59 0.45 -0.13 -2.66 0.15 0.38 -5.00 113.70 105.29 3gd3 s SER 483 Ca -0.10 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 3gd3 s SER 483 Cb -0.03 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 3gd3 s SER 483 CO 0.02 0.02 -0.11 -1.81 1.20 0.00 0.00 173.24 172.56 3gd3 s ASP 484 N -0.20 4.16 -0.45 5.45 1.01 -1.26 -0.54 116.67 124.84 3gd3 s ASP 484 Ca 0.00 -0.28 -0.08 0.00 0.71 0.00 0.00 52.55 52.91 3gd3 s ASP 484 Cb -0.02 -1.60 0.12 0.00 1.01 0.00 0.00 42.92 42.42 3gd3 s ASP 484 CO -0.00 0.18 0.31 -0.76 0.21 0.00 0.00 175.17 175.10 3gd3 s LEU 485 N 0.28 5.56 0.29 1.23 1.43 -0.83 -4.78 118.68 121.86 3gd3 s LEU 485 Ca -0.08 -1.92 0.00 0.00 -1.03 0.00 0.00 54.13 51.09 3gd3 s LEU 485 Cb -0.15 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3gd3 s LEU 485 CO 0.05 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.59 3gd3 n GLY 486 N 4.83 -1.81 0.00 -3.19 0.00 -1.26 -3.31 105.19 100.45 3gd3 n GLY 486 Ca -0.07 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 44.87 3gd3 n GLY 486 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gd3 n PRO 487 N -3.74 0.58 0.00 1.61 -0.04 -1.26 -3.74 135.00 128.41 3gd3 n PRO 487 Ca 0.01 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.58 3gd3 n PRO 487 Cb 0.56 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 3gd3 n PRO 487 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gd3 n ASP 488 N -1.15 1.29 -3.68 3.54 9.92 -1.26 -2.63 116.55 122.59 3gd3 n ASP 488 Ca 0.16 -1.15 -0.09 0.00 -0.53 0.00 0.00 54.79 53.18 3gd3 n ASP 488 Cb 0.15 0.74 -0.09 0.00 -0.64 0.00 0.00 41.12 41.28 3gd3 n ASP 488 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gd3 s VAL 489 N -2.38 -0.02 -0.04 2.53 1.01 -1.21 -4.82 120.40 115.47 3gd3 s VAL 489 Ca 0.11 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 3gd3 s VAL 489 Cb 0.14 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.79 3gd3 s VAL 489 CO 0.59 0.02 0.14 -0.83 0.00 0.00 0.00 175.10 175.03 3gd3 s GLY 490 N 1.45 -0.06 -0.11 4.51 0.00 -1.26 -1.96 107.32 109.88 3gd3 s GLY 490 Ca -0.09 0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.92 3gd3 s GLY 490 CO -0.15 0.18 -0.22 -0.19 0.00 0.00 0.00 173.10 172.72 3gd3 s TYR 491 N -0.33 2.61 0.11 1.90 1.51 0.30 -0.70 117.35 122.75 3gd3 s TYR 491 Ca -0.04 -1.01 0.04 0.00 -1.01 0.00 0.00 57.07 55.05 3gd3 s TYR 491 Cb -0.03 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 3gd3 s TYR 491 CO 0.01 -0.40 0.08 -1.21 -1.11 0.00 0.00 175.55 172.91 3gd3 s GLU 492 N 0.38 2.81 0.09 -0.62 2.02 0.16 -0.47 118.70 123.07 3gd3 s GLU 492 Ca -0.17 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 53.90 3gd3 s GLU 492 Cb -0.17 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.42 3gd3 s GLU 492 CO 0.08 0.53 0.33 0.00 0.02 0.00 0.00 175.26 176.22 3gd3 s ALA 493 N -1.49 -0.73 -0.19 5.21 0.00 -0.55 0.36 121.76 124.37 3gd3 s ALA 493 Ca 0.29 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 3gd3 s ALA 493 Cb -0.11 0.54 0.12 0.00 0.00 0.00 0.00 23.12 23.66 3gd3 s ALA 493 CO 0.22 -0.55 1.00 -1.50 0.00 0.00 0.00 175.76 174.92 3gd3 s ILE 494 N -3.43 0.00 0.00 0.00 2.07 -0.47 -1.19 121.20 118.18 3gd3 s ILE 494 Ca 0.01 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3gd3 s ILE 494 Cb 0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.61 3gd3 s ILE 494 CO -0.09 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 3gd3 n GLY 495 N 1.19 0.73 3.01 1.50 0.00 -1.26 -1.40 105.19 108.96 3gd3 n GLY 495 Ca -0.11 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 3gd3 n GLY 495 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gd3 s LEU 496 N 0.00 2.70 -0.17 0.99 1.43 -0.67 -4.95 118.68 118.00 3gd3 s LEU 496 Ca 0.00 -1.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.00 3gd3 s LEU 496 Cb 0.00 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.91 3gd3 s LEU 496 CO 0.00 -0.18 -0.19 0.68 0.23 0.00 0.00 176.35 176.89 3gd3 s VAL 497 N 1.30 1.97 -0.10 -1.59 -7.23 -1.26 -3.76 120.40 109.72 3gd3 s VAL 497 Ca -0.05 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.11 3gd3 s VAL 497 Cb -0.18 -1.78 0.03 0.00 0.56 0.00 0.00 36.38 35.01 3gd3 s VAL 497 CO -0.07 0.53 0.33 -0.62 -0.31 0.00 0.00 175.10 174.96 3gd3 s ASP 498 N 1.24 -0.31 0.24 4.85 -1.08 -1.26 -4.83 116.67 115.53 3gd3 s ASP 498 Ca 0.03 0.53 -0.04 0.00 -0.52 0.00 0.00 52.55 52.55 3gd3 s ASP 498 Cb -0.13 0.60 0.28 0.00 -1.46 0.00 0.00 42.92 42.20 3gd3 s ASP 498 CO -0.11 -0.20 1.77 0.77 0.52 0.00 0.00 175.17 177.93 3gd3 h SER 499 N 5.20 0.89 0.53 -0.34 4.64 -1.19 -3.13 113.55 120.16 3gd3 h SER 499 Ca -0.27 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3gd3 h SER 499 Cb 1.18 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3gd3 h SER 499 CO 0.32 0.88 0.00 -1.54 -0.87 0.00 0.00 176.83 175.62 3gd3 n SER 500 N -4.24 0.35 -4.86 4.97 3.41 -1.26 -4.75 113.62 107.23 3gd3 n SER 500 Ca 0.04 0.60 -0.31 0.00 -0.26 0.00 0.00 58.87 58.94 3gd3 n SER 500 Cb 0.25 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 3gd3 n SER 500 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gd3 s LEU 501 N -3.80 3.78 0.33 1.04 1.43 -1.18 -5.02 118.68 115.25 3gd3 s LEU 501 Ca 0.05 1.34 -0.29 0.00 -1.03 0.00 0.00 54.13 54.20 3gd3 s LEU 501 Cb 0.08 -4.24 -0.12 0.00 0.03 0.00 0.00 46.19 41.95 3gd3 s LEU 501 CO 0.30 -0.45 1.40 -2.65 0.23 0.00 0.00 176.35 175.18 3gd3 n PRO 502 N -1.28 2.32 -4.49 1.29 -0.02 -1.26 -4.89 135.00 126.67 3gd3 n PRO 502 Ca 0.04 0.82 -0.21 0.00 -2.02 0.00 0.00 63.50 62.13 3gd3 n PRO 502 Cb 0.54 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 3gd3 n PRO 502 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gd3 s THR 503 N -0.77 0.92 -0.03 3.45 2.01 -1.26 -1.24 115.64 118.70 3gd3 s THR 503 Ca 0.58 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.17 3gd3 s THR 503 Cb -0.55 -0.80 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 3gd3 s THR 503 CO 0.59 0.28 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.97 3gd3 s VAL 504 N 0.09 1.13 -0.05 3.82 1.01 -0.57 -4.98 120.40 120.85 3gd3 s VAL 504 Ca -0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3gd3 s VAL 504 Cb -0.08 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.34 3gd3 s VAL 504 CO 0.01 0.34 0.02 -0.83 0.00 0.00 0.00 175.10 174.63 3gd3 s GLY 505 N 0.09 0.32 -0.07 4.51 0.00 -1.26 0.65 107.32 111.56 3gd3 s GLY 505 Ca -0.03 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.76 3gd3 s GLY 505 CO 0.01 1.00 -0.07 0.14 0.00 0.00 0.00 173.10 174.19 3gd3 s VAL 506 N 1.66 3.72 0.02 1.40 1.01 -0.80 -5.01 120.40 122.40 3gd3 s VAL 506 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3gd3 s VAL 506 Cb -0.13 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3gd3 s VAL 506 CO -0.03 0.60 -0.04 -0.36 0.00 0.00 0.00 175.10 175.27 3gd3 s PHE 507 N -0.81 0.31 0.22 5.22 0.40 -1.26 -2.07 117.98 119.99 3gd3 s PHE 507 Ca 0.12 -0.30 -0.08 0.00 -0.60 0.00 0.00 56.93 56.07 3gd3 s PHE 507 Cb -0.11 -0.20 -0.02 0.00 0.51 0.00 0.00 43.02 43.20 3gd3 s PHE 507 CO 0.01 -0.08 0.32 0.00 0.70 0.00 0.00 175.22 176.17 3gd3 s ALA 508 N -0.82 0.34 0.11 5.36 0.00 -0.13 -4.95 121.76 121.67 3gd3 s ALA 508 Ca -0.07 -1.21 -0.31 0.00 0.00 0.00 0.00 51.96 50.37 3gd3 s ALA 508 Cb -0.06 1.18 -0.08 0.00 0.00 0.00 0.00 23.12 24.17 3gd3 s ALA 508 CO -0.00 -0.73 1.36 0.21 0.00 0.00 0.00 175.76 176.59 3gd3 s LYS 509 N -4.07 4.34 0.41 0.00 2.20 -1.26 -1.87 119.74 119.49 3gd3 s LYS 509 Ca 0.29 2.03 -0.23 0.00 -0.36 0.00 0.00 55.97 57.70 3gd3 s LYS 509 Cb 0.03 -3.26 -0.09 0.00 -1.51 0.00 0.00 37.83 32.99 3gd3 s LYS 509 CO 0.10 -0.40 1.01 0.00 -0.36 0.00 0.00 175.35 175.69 3gd3 s ALA 510 N 1.05 3.05 0.45 3.13 0.00 -1.26 -4.80 121.76 123.37 3gd3 s ALA 510 Ca 0.63 0.59 0.04 0.00 0.00 0.00 0.00 51.96 53.22 3gd3 s ALA 510 Cb -0.36 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3gd3 s ALA 510 CO 0.30 -0.11 0.64 0.95 0.00 0.00 0.00 175.76 177.54 3gd3 s THR 511 N -1.83 3.42 0.56 0.00 -4.23 -1.26 -4.96 115.64 107.35 3gd3 s THR 511 Ca 0.60 -0.76 0.40 0.00 -1.18 0.00 0.00 61.69 60.75 3gd3 s THR 511 Cb -0.18 -3.23 0.59 0.00 1.34 0.00 0.00 72.50 71.03 3gd3 s THR 511 CO 0.22 -0.13 1.66 0.00 -0.54 0.00 0.00 174.62 175.83 3gd3 h ALA 512 N 0.46 3.32 0.00 3.99 0.00 -2.03 0.18 119.26 125.18 3gd3 h ALA 512 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gd3 h ALA 512 Cb 1.27 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3gd3 h ALA 512 CO 0.52 -1.82 0.00 1.96 0.00 0.00 0.00 179.25 179.91 3gd3 h GLN 513 N 0.00 0.00 -4.24 0.00 7.50 -1.99 -3.44 115.11 112.94 3gd3 h GLN 513 Ca 0.67 0.00 -0.75 0.00 0.50 0.00 0.00 58.65 59.07 3gd3 h GLN 513 Cb 2.85 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 30.19 3gd3 h GLN 513 CO -0.01 0.00 1.38 -0.25 -1.50 0.00 0.00 178.83 178.45 3gd3 n ASP 514 N -2.46 5.29 0.00 1.46 10.43 0.64 -4.41 116.55 127.51 3gd3 n ASP 514 Ca 0.05 -3.04 0.00 0.00 2.57 0.00 0.00 54.79 54.38 3gd3 n ASP 514 Cb 0.45 -1.51 0.00 0.00 1.84 0.00 0.00 41.12 41.90 3gd3 n ASP 514 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3gd3 n ASN 515 N 4.67 0.00 0.23 -2.24 6.94 -1.26 -4.84 115.26 118.77 3gd3 n ASN 515 Ca 0.35 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.98 3gd3 n ASN 515 Cb 0.40 0.00 0.54 0.00 -2.36 0.00 0.00 39.78 38.36 3gd3 n ASN 515 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 3gd3 h PRO 516 N 0.00 0.00 -0.27 -0.53 0.13 -1.86 -2.81 132.00 126.66 3gd3 h PRO 516 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 3gd3 h PRO 516 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 3gd3 h PRO 516 CO 0.00 0.14 -0.17 -0.22 -0.23 0.00 0.00 178.00 177.52 3gd3 h LYS 517 N 0.00 -0.14 -0.29 0.86 1.63 -1.86 0.38 116.57 117.14 3gd3 h LYS 517 Ca -0.00 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3gd3 h LYS 517 Cb 0.26 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 3gd3 h LYS 517 CO 0.02 -0.10 0.05 0.77 -3.45 0.00 0.00 179.45 176.74 3gd3 h SER 518 N -0.15 0.47 0.04 4.20 0.02 -1.78 -0.88 113.55 115.47 3gd3 h SER 518 Ca 0.15 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3gd3 h SER 518 Cb 0.37 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3gd3 h SER 518 CO -0.36 0.61 -0.03 0.00 -1.14 0.00 0.00 176.83 175.91 3gd3 h ALA 519 N 0.88 1.83 0.00 3.77 0.00 -1.13 0.13 119.26 124.74 3gd3 h ALA 519 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gd3 h ALA 519 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gd3 h ALA 519 CO 0.01 0.04 -0.00 1.15 0.00 0.00 0.00 179.25 180.44 3gd3 h THR 520 N 0.00 1.72 -0.91 0.00 2.02 -0.06 -2.78 112.91 112.91 3gd3 h THR 520 Ca -0.00 -2.25 0.19 0.00 0.77 0.00 0.00 66.41 65.12 3gd3 h THR 520 Cb 0.05 3.23 -0.07 0.00 -1.74 0.00 0.00 68.15 69.63 3gd3 h THR 520 CO 0.00 0.58 0.59 -0.33 0.37 0.00 0.00 175.52 176.73 3gd3 h GLU 521 N -0.98 0.49 0.00 6.66 5.08 -0.10 0.27 114.58 126.00 3gd3 h GLU 521 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3gd3 h GLU 521 Cb 0.95 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3gd3 h GLU 521 CO 0.00 0.32 0.00 1.04 -1.00 0.00 0.00 179.01 179.37 3gd3 n GLN 522 N -4.55 0.00 -0.35 2.33 6.02 0.37 -4.29 117.38 116.91 3gd3 n GLN 522 Ca 0.19 0.00 0.31 0.00 -0.01 0.00 0.00 57.00 57.49 3gd3 n GLN 522 Cb 0.63 -0.49 0.65 0.00 1.02 0.00 0.00 30.24 32.05 3gd3 n GLN 522 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3gd3 h SER 523 N 0.00 0.20 0.00 1.08 4.64 -1.51 -3.45 113.55 114.51 3gd3 h SER 523 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3gd3 h SER 523 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3gd3 h SER 523 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3gd3 n GLY 524 N -1.63 0.59 3.30 -0.77 0.00 0.95 -4.98 105.19 102.65 3gd3 n GLY 524 Ca 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 3gd3 n GLY 524 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gd3 s THR 525 N -2.35 1.22 -0.35 2.61 -1.32 -1.21 -4.98 115.64 109.26 3gd3 s THR 525 Ca 0.00 -2.07 0.16 0.00 -1.21 0.00 0.00 61.69 58.56 3gd3 s THR 525 Cb 0.00 -2.07 -0.21 0.00 -1.51 0.00 0.00 72.50 68.71 3gd3 s THR 525 CO 0.00 -0.56 0.49 0.61 -2.21 0.00 0.00 174.62 172.95 3gd3 n GLY 526 N -0.31 -0.61 3.45 6.08 0.00 -1.26 -4.31 105.19 108.22 3gd3 n GLY 526 Ca -0.08 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 3gd3 n GLY 526 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gd3 s ILE 527 N -2.82 4.43 0.46 -0.61 -1.09 -1.26 -4.93 121.20 115.39 3gd3 s ILE 527 Ca -0.00 -0.39 0.15 0.00 -2.23 0.00 0.00 60.65 58.18 3gd3 s ILE 527 Cb 0.11 -4.62 0.20 0.00 -1.58 0.00 0.00 42.46 36.57 3gd3 s ILE 527 CO 0.65 -1.33 2.02 -0.09 -1.23 0.00 0.00 174.94 174.96 3gd3 h ARG 528 N 9.45 0.00 0.00 2.79 9.65 -1.99 0.20 114.38 134.48 3gd3 h ARG 528 Ca -0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 3gd3 h ARG 528 Cb 1.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 3gd3 h ARG 528 CO 1.15 0.15 0.00 -1.13 2.80 0.00 0.00 179.97 182.94 3gd3 n SER 529 N -4.33 0.00 -0.07 -3.80 3.41 -1.26 -1.76 113.62 105.81 3gd3 n SER 529 Ca -0.03 0.33 -0.22 0.00 -0.26 0.00 0.00 58.87 58.69 3gd3 n SER 529 Cb 0.22 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 63.68 3gd3 n SER 529 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gd3 n GLU 530 N -1.37 0.65 -0.28 4.33 1.02 0.70 -3.57 120.64 122.11 3gd3 n GLU 530 Ca 0.02 0.39 -0.05 0.00 -0.02 0.00 0.00 57.16 57.50 3gd3 n GLU 530 Cb 0.05 -1.69 0.06 0.00 -0.02 0.00 0.00 31.44 29.84 3gd3 n GLU 530 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3gd3 h SER 531 N -0.51 0.91 0.26 1.62 4.64 -1.43 -2.58 113.55 116.47 3gd3 h SER 531 Ca -0.44 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3gd3 h SER 531 Cb 1.67 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3gd3 h SER 531 CO -0.11 0.70 -0.06 -0.62 -0.87 0.00 0.00 176.83 175.87 3gd3 n GLU 532 N -4.50 0.84 -0.97 4.77 -0.58 -0.72 -4.89 120.64 114.59 3gd3 n GLU 532 Ca 0.07 -0.24 0.10 0.00 -0.42 0.00 0.00 57.16 56.67 3gd3 n GLU 532 Cb 0.05 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.39 3gd3 n GLU 532 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3gd3 n THR 533 N -0.87 0.00 -0.68 2.62 -1.04 -0.97 -4.43 114.28 108.91 3gd3 n THR 533 Ca 0.17 0.22 0.08 0.00 -2.04 0.00 0.00 64.05 62.48 3gd3 n THR 533 Cb 0.24 -0.47 0.29 0.00 -1.82 0.00 0.00 70.33 68.57 3gd3 n THR 533 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3gd3 n GLU 534 N -3.10 3.44 -1.71 -2.82 -0.00 -1.26 -4.85 120.64 110.34 3gd3 n GLU 534 Ca -0.02 -2.73 -0.30 0.00 -0.00 0.00 0.00 57.16 54.11 3gd3 n GLU 534 Cb 0.60 -1.79 0.22 0.00 -0.00 0.00 0.00 31.44 30.47 3gd3 n GLU 534 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3gd3 n SER 535 N 0.44 -0.46 -3.19 -1.84 3.41 -1.26 -4.88 113.62 105.84 3gd3 n SER 535 Ca 0.22 -1.41 -0.11 0.00 -0.26 0.00 0.00 58.87 57.31 3gd3 n SER 535 Cb 0.83 -1.03 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 3gd3 n SER 535 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gd3 s GLU 536 N -5.84 0.83 0.00 4.33 2.12 -1.26 -4.34 118.70 114.54 3gd3 s GLU 536 Ca 0.75 -0.96 0.00 0.00 0.36 0.00 0.00 54.97 55.12 3gd3 s GLU 536 Cb -0.03 -0.48 0.00 0.00 0.26 0.00 0.00 34.13 33.88 3gd3 s GLU 536 CO 0.54 -1.26 0.12 0.00 -0.54 0.00 0.00 175.26 174.12 3gd3 n ALA 537 N 3.76 0.00 0.00 6.30 0.00 -1.13 -4.80 120.51 124.64 3gd3 n ALA 537 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3gd3 n ALA 537 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3gd3 n ALA 537 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gd3 n ASP 558 N -0.33 0.00 -4.82 0.00 10.43 -1.26 -4.85 116.55 115.72 3gd3 n ASP 558 Ca 0.00 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.03 3gd3 n ASP 558 Cb 0.00 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 42.92 3gd3 n ASP 558 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3gd3 s TYR 559 N 0.00 3.20 0.00 1.24 2.02 -1.26 -4.34 117.35 118.21 3gd3 s TYR 559 Ca 0.00 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.25 3gd3 s TYR 559 Cb 0.00 -2.93 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 3gd3 s TYR 559 CO 0.00 -0.55 0.00 0.41 -1.57 0.00 0.00 175.55 173.84 3gd3 n GLY 560 N -0.80 0.31 3.26 0.71 0.00 -0.97 -4.86 105.19 102.85 3gd3 n GLY 560 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 3gd3 n GLY 560 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gd3 s LYS 561 N 0.00 1.00 0.00 1.61 -2.85 -0.78 -4.71 119.74 114.01 3gd3 s LYS 561 Ca 0.00 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 3gd3 s LYS 561 Cb 0.00 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 3gd3 s LYS 561 CO 0.00 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.52 3gd3 n GLY 562 N -0.13 1.11 3.31 0.59 0.00 -0.59 -0.96 105.19 108.52 3gd3 n GLY 562 Ca -0.10 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 3gd3 n GLY 562 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gd3 s VAL 563 N -2.00 2.00 -0.18 1.61 0.11 -0.88 -0.01 120.40 121.05 3gd3 s VAL 563 Ca 0.00 -1.30 0.01 0.00 -2.93 0.00 0.00 61.98 57.76 3gd3 s VAL 563 Cb 0.00 -1.71 0.02 0.00 -1.53 0.00 0.00 36.38 33.16 3gd3 s VAL 563 CO 0.00 0.35 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.30 3gd3 s ILE 564 N -0.78 2.01 0.03 7.04 1.01 0.14 -1.90 121.20 128.74 3gd3 s ILE 564 Ca 0.10 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 3gd3 s ILE 564 Cb -0.10 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.47 3gd3 s ILE 564 CO 0.02 0.49 0.66 -0.36 0.00 0.00 0.00 174.94 175.75 3gd3 s PHE 565 N 1.30 3.72 -0.29 3.97 0.40 0.21 -1.57 117.98 125.72 3gd3 s PHE 565 Ca 0.04 1.33 -0.10 0.00 -0.60 0.00 0.00 56.93 57.60 3gd3 s PHE 565 Cb -0.14 -2.68 -0.02 0.00 0.51 0.00 0.00 43.02 40.69 3gd3 s PHE 565 CO -0.12 0.35 0.15 0.71 0.70 0.00 0.00 175.22 177.01 3gd3 s TYR 566 N -0.27 3.17 0.38 0.36 1.51 -0.00 -1.52 117.35 120.98 3gd3 s TYR 566 Ca 0.34 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 3gd3 s TYR 566 Cb -0.19 -2.34 -0.02 0.00 -0.11 0.00 0.00 41.96 39.30 3gd3 s TYR 566 CO 0.20 -0.34 0.57 -0.51 -1.11 0.00 0.00 175.55 174.35 3gd3 s LEU 567 N 1.66 3.89 -0.27 -1.29 1.43 -0.38 -0.25 118.68 123.48 3gd3 s LEU 567 Ca 0.06 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3gd3 s LEU 567 Cb -0.16 -3.15 0.16 0.00 0.03 0.00 0.00 46.19 43.07 3gd3 s LEU 567 CO 0.07 -0.45 0.48 -0.60 0.23 0.00 0.00 176.35 176.08 3gd3 s ARG 568 N -4.36 0.45 -0.66 1.70 3.52 -0.64 -4.30 118.95 114.66 3gd3 s ARG 568 Ca 0.43 0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 56.75 3gd3 s ARG 568 Cb -0.10 -0.00 -0.02 0.00 -1.56 0.00 0.00 34.95 33.27 3gd3 s ARG 568 CO 0.36 -0.66 0.61 -0.25 -0.81 0.00 0.00 175.30 174.55 3gd3 n ASP 569 N 5.39 -6.40 -0.51 -2.12 10.43 -1.26 -3.17 116.55 118.91 3gd3 n ASP 569 Ca -0.02 -0.19 -0.01 0.00 2.57 0.00 0.00 54.79 57.13 3gd3 n ASP 569 Cb 0.51 -4.41 -0.01 0.00 1.84 0.00 0.00 41.12 39.05 3gd3 n ASP 569 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3gd3 n LYS 570 N -1.96 -1.55 -4.04 -1.24 5.02 -1.26 -4.87 118.16 108.26 3gd3 n LYS 570 Ca -0.02 0.11 -0.31 0.00 -2.02 0.00 0.00 58.31 56.07 3gd3 n LYS 570 Cb 0.53 -3.48 -0.16 0.00 -0.02 0.00 0.00 35.03 31.90 3gd3 n LYS 570 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gd3 s VAL 571 N -0.65 1.82 -0.17 -0.18 1.01 -1.19 -3.25 120.40 117.78 3gd3 s VAL 571 Ca 0.00 -1.02 -0.36 0.00 0.00 0.00 0.00 61.98 60.60 3gd3 s VAL 571 Cb 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 36.38 34.46 3gd3 s VAL 571 CO 0.00 0.29 1.89 0.52 0.00 0.00 0.00 175.10 177.79 3gd3 n VAL 572 N 4.64 0.47 0.20 2.92 0.31 -1.26 -1.61 118.33 124.00 3gd3 n VAL 572 Ca -0.17 -0.12 0.02 0.00 -0.01 0.00 0.00 64.34 64.07 3gd3 n VAL 572 Cb 0.47 -1.70 -0.03 0.00 -0.91 0.00 0.00 33.84 31.67 3gd3 n VAL 572 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3gd3 n VAL 573 N 5.28 0.00 -3.81 2.52 0.24 0.66 -4.66 118.33 118.55 3gd3 n VAL 573 Ca 0.26 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 3gd3 n VAL 573 Cb 0.25 0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 33.51 3gd3 n VAL 573 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gd3 s GLY 574 N -1.51 0.07 -0.17 7.63 0.00 -0.97 -1.68 107.32 110.69 3gd3 s GLY 574 Ca 0.01 -0.47 -0.08 0.00 0.00 0.00 0.00 44.72 44.18 3gd3 s GLY 574 CO 0.19 -0.58 0.40 -0.42 0.00 0.00 0.00 173.10 172.69 3gd3 s ILE 575 N -3.88 -0.22 -0.16 0.90 1.01 -0.49 -0.82 121.20 117.54 3gd3 s ILE 575 Ca 0.09 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 3gd3 s ILE 575 Cb 0.02 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 3gd3 s ILE 575 CO -0.06 0.05 -0.03 -0.69 0.00 0.00 0.00 174.94 174.20 3gd3 s VAL 576 N 1.79 3.91 -0.14 2.92 1.01 -0.61 -1.36 120.40 127.92 3gd3 s VAL 576 Ca -0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 3gd3 s VAL 576 Cb -0.10 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3gd3 s VAL 576 CO -0.12 0.49 -0.03 -0.76 0.00 0.00 0.00 175.10 174.67 3gd3 s LEU 577 N 0.37 3.29 -0.37 3.92 1.43 0.16 0.24 118.68 127.72 3gd3 s LEU 577 Ca -0.04 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.92 3gd3 s LEU 577 Cb -0.14 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.37 3gd3 s LEU 577 CO 0.03 0.21 0.15 0.86 0.23 0.00 0.00 176.35 177.82 3gd3 s TRP 578 N 0.12 3.36 -1.81 0.29 -0.00 0.99 -0.66 118.94 121.22 3gd3 s TRP 578 Ca -0.01 -1.78 0.00 0.00 -0.00 0.00 0.00 56.10 54.31 3gd3 s TRP 578 Cb -0.14 -2.64 0.00 0.00 -0.00 0.00 0.00 33.47 30.69 3gd3 s TRP 578 CO 0.03 -0.83 0.00 0.09 -0.00 0.00 0.00 176.95 176.23 3gd3 n ASN 579 N 4.75 -5.49 -4.35 5.86 3.02 0.12 -1.54 115.26 117.62 3gd3 n ASN 579 Ca -0.10 0.16 -0.37 0.00 -0.03 0.00 0.00 54.58 54.25 3gd3 n ASN 579 Cb 0.43 -4.59 -0.13 0.00 -0.61 0.00 0.00 39.78 34.88 3gd3 n ASN 579 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gd3 s VAL 580 N -2.88 3.99 0.16 2.41 1.01 -1.26 -4.18 120.40 119.65 3gd3 s VAL 580 Ca 0.00 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.44 3gd3 s VAL 580 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3gd3 s VAL 580 CO 0.00 0.11 -0.15 -0.36 0.00 0.00 0.00 175.10 174.71 3gd3 s PHE 581 N 1.51 2.56 -1.48 5.22 0.40 -1.26 -4.65 117.98 120.28 3gd3 s PHE 581 Ca 0.03 -0.25 -0.06 0.00 -0.60 0.00 0.00 56.93 56.05 3gd3 s PHE 581 Cb -0.17 -1.29 0.02 0.00 0.51 0.00 0.00 43.02 42.09 3gd3 s PHE 581 CO 0.02 0.47 0.57 0.09 0.70 0.00 0.00 175.22 177.07 3gd3 n ASN 582 N 0.35 -5.47 -0.36 1.36 3.02 -1.26 -4.84 115.26 108.07 3gd3 n ASN 582 Ca -0.13 -0.31 0.03 0.00 -0.03 0.00 0.00 54.58 54.14 3gd3 n ASN 582 Cb 0.54 -4.44 0.04 0.00 -0.61 0.00 0.00 39.78 35.31 3gd3 n ASN 582 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3gd3 n ARG 583 N -3.95 0.38 -0.14 3.52 5.12 -1.26 -4.87 116.66 115.46 3gd3 n ARG 583 Ca -0.09 -1.40 -0.10 0.00 -1.93 0.00 0.00 57.85 54.33 3gd3 n ARG 583 Cb 0.60 -0.77 0.03 0.00 -1.16 0.00 0.00 32.46 31.16 3gd3 n ARG 583 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 3gd3 h MET 584 N 0.00 0.94 -0.62 5.56 1.85 -1.88 -2.54 114.93 118.24 3gd3 h MET 584 Ca 0.00 -0.38 0.06 0.00 -0.61 0.00 0.00 59.70 58.77 3gd3 h MET 584 Cb 1.27 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 33.22 3gd3 h MET 584 CO 0.00 1.04 0.41 -1.35 -0.40 0.00 0.00 176.91 176.62 3gd3 h PRO 585 N 0.82 0.58 -0.40 0.39 0.11 -1.77 -0.20 132.00 131.53 3gd3 h PRO 585 Ca 0.11 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 3gd3 h PRO 585 Cb 0.75 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 3gd3 h PRO 585 CO 0.06 0.38 -0.16 0.82 -0.21 0.00 0.00 178.00 178.90 3gd3 h ILE 586 N 0.60 1.26 -0.62 4.15 2.04 -1.85 0.47 117.51 123.56 3gd3 h ILE 586 Ca 0.27 -1.23 0.08 0.00 1.00 0.00 0.00 64.86 64.99 3gd3 h ILE 586 Cb 0.30 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 3gd3 h ILE 586 CO -0.08 0.41 0.28 0.00 0.00 0.00 0.00 178.15 178.76 3gd3 h ALA 587 N 1.16 0.82 -0.06 1.87 0.00 -0.79 -2.18 119.26 120.08 3gd3 h ALA 587 Ca 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3gd3 h ALA 587 Cb 0.64 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3gd3 h ALA 587 CO 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 179.25 179.16 3gd3 h ARG 588 N 0.50 0.12 -0.09 0.00 3.08 -0.62 -2.80 114.38 114.57 3gd3 h ARG 588 Ca 0.30 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.33 3gd3 h ARG 588 Cb 0.32 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 3gd3 h ARG 588 CO -0.26 0.47 -0.51 -0.22 -1.07 0.00 0.00 179.97 178.38 3gd3 h LYS 589 N -0.23 -0.57 -0.49 0.04 1.63 -0.82 1.00 116.57 117.12 3gd3 h LYS 589 Ca 0.02 0.04 0.10 0.00 -0.85 0.00 0.00 60.65 59.95 3gd3 h LYS 589 Cb 0.43 0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 32.10 3gd3 h LYS 589 CO 0.01 -0.38 -0.14 0.82 -3.45 0.00 0.00 179.45 176.31 3gd3 h ILE 590 N -0.59 0.48 -0.24 2.00 2.04 -1.40 0.42 117.51 120.22 3gd3 h ILE 590 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3gd3 h ILE 590 Cb 0.68 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3gd3 h ILE 590 CO -0.41 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.24 3gd3 h ILE 591 N -0.02 1.17 -0.80 -0.67 2.04 -1.17 -2.89 117.51 115.17 3gd3 h ILE 591 Ca 0.24 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3gd3 h ILE 591 Cb 0.38 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3gd3 h ILE 591 CO -0.52 0.17 0.43 0.50 0.00 0.00 0.00 178.15 178.74 3gd3 h LYS 592 N 0.24 1.11 0.00 2.37 1.63 0.30 -3.30 116.57 118.91 3gd3 h LYS 592 Ca 0.08 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3gd3 h LYS 592 Cb 0.18 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3gd3 h LYS 592 CO -0.01 0.82 0.00 -0.25 -3.45 0.00 0.00 179.45 176.57 3gd3 n ASP 593 N -4.41 0.00 0.00 4.20 8.00 0.03 -5.02 116.55 119.35 3gd3 n ASP 593 Ca 0.08 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.21 3gd3 n ASP 593 Cb 0.10 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3gd3 n ASP 593 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gd3 n GLY 594 N -0.39 1.12 3.85 0.44 0.00 -1.10 -5.11 105.19 104.00 3gd3 n GLY 594 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3gd3 n GLY 594 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gd3 s GLU 595 N -0.08 3.94 -0.52 1.61 2.02 -1.26 -4.89 118.70 119.51 3gd3 s GLU 595 Ca 0.00 0.43 -0.05 0.00 0.02 0.00 0.00 54.97 55.37 3gd3 s GLU 595 Cb 0.00 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 3gd3 s GLU 595 CO 0.00 0.46 2.96 1.04 0.02 0.00 0.00 175.26 179.74 3gd3 n GLN 596 N 0.68 2.67 -1.30 1.61 6.02 -1.26 -4.52 117.38 121.29 3gd3 n GLN 596 Ca -0.05 -2.13 -0.57 0.00 -0.01 0.00 0.00 57.00 54.25 3gd3 n GLN 596 Cb 0.52 -2.21 -0.10 0.00 1.02 0.00 0.00 30.24 29.47 3gd3 n GLN 596 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3gd3 n HIS 597 N 1.59 1.25 1.70 1.08 8.25 -1.20 -4.81 115.22 123.07 3gd3 n HIS 597 Ca 0.51 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.80 3gd3 n HIS 597 Cb 0.59 -2.03 0.00 0.00 1.12 0.00 0.00 29.99 29.66 3gd3 n HIS 597 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3gd3 n GLU 598 N 5.49 0.88 -3.25 -0.41 1.02 -1.26 -4.50 120.64 118.61 3gd3 n GLU 598 Ca 0.41 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.58 3gd3 n GLU 598 Cb -0.04 -1.04 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 3gd3 n GLU 598 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gd3 s ASP 599 N -1.04 -0.86 0.00 1.62 3.68 -1.26 -5.07 116.67 113.74 3gd3 s ASP 599 Ca 0.00 0.72 0.26 0.00 2.13 0.00 0.00 52.55 55.66 3gd3 s ASP 599 Cb 0.00 1.79 0.72 0.00 -1.45 0.00 0.00 42.92 43.98 3gd3 s ASP 599 CO 0.00 -0.16 1.54 0.18 0.13 0.00 0.00 175.17 176.86 3gd3 n LEU 600 N 5.35 0.83 -0.03 -1.34 4.77 -1.26 -3.99 117.00 121.33 3gd3 n LEU 600 Ca -0.06 -0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 55.66 3gd3 n LEU 600 Cb 0.52 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 3gd3 n LEU 600 CO -0.04 0.16 0.93 0.78 -1.33 0.00 0.00 177.39 177.90 3gd3 h ASN 601 N 0.81 0.17 -0.58 -1.43 4.21 -1.98 -2.98 115.58 113.80 3gd3 h ASN 601 Ca 0.00 -0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.61 3gd3 h ASN 601 Cb 0.50 -0.04 -0.08 0.00 -1.12 0.00 0.00 38.32 37.58 3gd3 h ASN 601 CO 0.00 0.13 0.16 -0.33 -1.29 0.00 0.00 177.43 176.09 3gd3 h GLU 602 N 0.21 0.30 -0.86 0.81 4.39 -1.99 0.18 114.58 117.63 3gd3 h GLU 602 Ca 0.06 -0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.92 3gd3 h GLU 602 Cb -0.02 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 3gd3 h GLU 602 CO -0.02 0.20 0.57 0.28 -1.16 0.00 0.00 179.01 178.87 3gd3 h VAL 603 N 0.31 0.74 0.00 3.13 2.07 -1.74 0.03 116.25 120.78 3gd3 h VAL 603 Ca 0.30 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.54 3gd3 h VAL 603 Cb 0.40 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3gd3 h VAL 603 CO -0.35 0.08 -0.56 0.00 0.02 0.00 0.00 177.57 176.76 3gd3 h ALA 604 N 1.62 0.92 0.00 1.67 0.00 -0.53 -2.77 119.26 120.17 3gd3 h ALA 604 Ca 0.44 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gd3 h ALA 604 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gd3 h ALA 604 CO -0.17 0.71 0.09 1.63 0.00 0.00 0.00 179.25 181.51 3gd3 n LYS 605 N -3.65 0.07 0.00 0.00 5.02 -0.00 -0.44 118.16 119.15 3gd3 n LYS 605 Ca -0.01 0.54 0.14 0.00 -2.02 0.00 0.00 58.31 56.96 3gd3 n LYS 605 Cb 0.61 -1.84 0.53 0.00 -0.02 0.00 0.00 35.03 34.32 3gd3 n LYS 605 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gd3 n LEU 606 N -1.89 0.69 -0.30 -0.35 4.32 -1.04 -3.76 117.00 114.67 3gd3 n LEU 606 Ca -0.01 -0.10 0.09 0.00 -0.02 0.00 0.00 56.01 55.97 3gd3 n LEU 606 Cb 0.11 -0.15 0.17 0.00 -1.62 0.00 0.00 43.42 41.93 3gd3 n LEU 606 CO 0.05 0.13 0.57 0.49 -1.22 0.00 0.00 177.39 177.41 3gd3 n PHE 607 N -0.81 0.18 -3.21 -1.77 3.72 0.41 -4.98 117.46 111.01 3gd3 n PHE 607 Ca 0.14 -1.07 -0.10 0.00 -0.05 0.00 0.00 57.45 56.38 3gd3 n PHE 607 Cb 0.30 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 3gd3 n PHE 607 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3gd3 n ASN 608 N -1.25 -7.05 -3.62 4.37 5.15 -1.25 -4.94 115.26 106.68 3gd3 n ASN 608 Ca 0.18 -0.15 -0.27 0.00 -0.60 0.00 0.00 54.58 53.74 3gd3 n ASN 608 Cb 0.70 -4.30 -0.16 0.00 -0.53 0.00 0.00 39.78 35.49 3gd3 n ASN 608 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gd3 s ILE 609 N -2.81 0.03 0.00 -1.44 -1.09 -1.23 -5.02 121.20 109.63 3gd3 s ILE 609 Ca 0.07 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 3gd3 s ILE 609 Cb -0.02 -0.75 0.00 0.00 -1.58 0.00 0.00 42.46 40.11 3gd3 s ILE 609 CO 0.79 -0.38 0.02 1.41 -1.23 0.00 0.00 174.94 175.56