#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gd3 n SER 129 N 0.00 0.54 -3.63 2.55 3.41 -1.26 -4.53 113.62 110.70 3gd3 n SER 129 Ca 0.00 -0.77 -0.14 0.00 -0.26 0.00 0.00 58.87 57.70 3gd3 n SER 129 Cb 0.00 0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 3gd3 n SER 129 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3gd3 s HIS 130 N -1.46 -0.36 -0.28 7.33 5.65 -1.26 -3.16 115.29 121.75 3gd3 s HIS 130 Ca 0.04 0.41 -0.18 0.00 0.25 0.00 0.00 55.06 55.58 3gd3 s HIS 130 Cb 0.05 0.27 0.10 0.00 -1.18 0.00 0.00 32.58 31.82 3gd3 s HIS 130 CO 0.25 -0.58 0.78 0.54 -0.65 0.00 0.00 174.74 175.07 3gd3 s VAL 131 N -2.22 0.00 0.24 0.89 0.11 -0.75 -4.92 120.40 113.75 3gd3 s VAL 131 Ca -0.07 0.00 0.28 0.00 -2.93 0.00 0.00 61.98 59.26 3gd3 s VAL 131 Cb -0.01 -1.00 0.30 0.00 -1.53 0.00 0.00 36.38 34.13 3gd3 s VAL 131 CO -0.00 0.00 1.96 1.55 -3.33 0.00 0.00 175.10 175.28 3gd3 h PRO 132 N 6.32 0.00 -3.22 1.54 0.13 -1.86 -3.13 132.00 131.78 3gd3 h PRO 132 Ca -0.29 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.24 3gd3 h PRO 132 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 3gd3 h PRO 132 CO 0.15 0.14 -0.76 -0.06 -0.23 0.00 0.00 178.00 177.24 3gd3 s PHE 133 N -3.85 1.72 -0.19 1.56 0.40 -1.18 -0.56 117.98 115.89 3gd3 s PHE 133 Ca -0.01 -2.01 -0.14 0.00 -0.60 0.00 0.00 56.93 54.17 3gd3 s PHE 133 Cb 0.11 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 3gd3 s PHE 133 CO 0.59 -0.83 0.31 -1.17 0.70 0.00 0.00 175.22 174.82 3gd3 s LEU 134 N 1.04 4.19 -0.23 -0.37 2.96 -0.09 -1.30 118.68 124.89 3gd3 s LEU 134 Ca 0.14 0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 3gd3 s LEU 134 Cb -0.21 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 3gd3 s LEU 134 CO -0.12 0.03 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.15 3gd3 s LEU 135 N 0.85 3.00 -0.12 -0.68 1.43 -0.21 -1.13 118.68 121.81 3gd3 s LEU 135 Ca 0.16 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 3gd3 s LEU 135 Cb -0.14 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3gd3 s LEU 135 CO 0.05 -0.04 0.44 -0.63 0.23 0.00 0.00 176.35 176.40 3gd3 s ILE 136 N 1.48 5.21 0.00 -0.59 1.01 0.28 0.16 121.20 128.75 3gd3 s ILE 136 Ca 0.05 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.57 3gd3 s ILE 136 Cb -0.15 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.55 3gd3 s ILE 136 CO -0.03 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3gd3 n GLY 137 N 3.24 -2.07 2.60 6.18 0.00 0.17 -1.23 105.19 114.08 3gd3 n GLY 137 Ca -0.08 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.54 4.66 0.00 -0.02 0.00 -1.24 -4.46 105.19 103.58 3gd3 n GLY 138 Ca 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.29 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 1.17 5.40 0.13 -0.02 0.00 -1.26 -4.38 105.19 106.22 3gd3 n GLY 139 Ca 0.27 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 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 0.96 -0.27 2.61 2.02 -1.91 -2.96 112.91 113.36 3gd3 h THR 140 Ca 0.00 -2.61 -0.07 0.00 0.77 0.00 0.00 66.41 64.49 3gd3 h THR 140 Cb 0.00 2.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 3gd3 h THR 140 CO 0.00 0.82 -0.11 0.00 0.37 0.00 0.00 175.52 176.60 3gd3 h ALA 141 N 0.34 0.38 -0.94 6.16 0.00 -1.90 -3.23 119.26 120.06 3gd3 h ALA 141 Ca -0.31 -0.30 0.14 0.00 0.00 0.00 0.00 54.91 54.43 3gd3 h ALA 141 Cb 2.05 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.60 3gd3 h ALA 141 CO 0.15 0.23 -0.42 0.00 0.00 0.00 0.00 179.25 179.21 3gd3 h ALA 142 N 0.75 0.01 0.14 0.00 0.00 -1.84 -1.79 119.26 116.54 3gd3 h ALA 142 Ca 0.06 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3gd3 h ALA 142 Cb 0.60 1.05 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3gd3 h ALA 142 CO 0.03 -0.69 -0.07 0.35 0.00 0.00 0.00 179.25 178.88 3gd3 h PHE 143 N -0.03 -0.18 -0.74 0.00 3.57 -1.59 -2.87 116.94 115.10 3gd3 h PHE 143 Ca 0.30 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.91 3gd3 h PHE 143 Cb 0.57 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 3gd3 h PHE 143 CO -0.87 0.14 0.35 0.00 -2.23 0.00 0.00 178.31 175.70 3gd3 h ALA 144 N 0.28 1.04 0.36 2.41 0.00 -1.51 -2.13 119.26 119.71 3gd3 h ALA 144 Ca -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gd3 h ALA 144 Cb 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3gd3 h ALA 144 CO 0.03 -0.10 -0.34 0.00 0.00 0.00 0.00 179.25 178.85 3gd3 h ALA 145 N 1.48 -0.74 -0.45 0.00 0.00 -1.32 -2.66 119.26 115.56 3gd3 h ALA 145 Ca 0.38 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.26 3gd3 h ALA 145 Cb 0.48 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 3gd3 h ALA 145 CO -0.32 -0.95 -0.36 0.00 0.00 0.00 0.00 179.25 177.62 3gd3 h ALA 146 N -0.24 -0.23 -0.73 0.00 0.00 -1.18 -2.00 119.26 114.89 3gd3 h ALA 146 Ca -0.03 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3gd3 h ALA 146 Cb 0.64 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 3gd3 h ALA 146 CO -0.05 -0.76 0.48 0.00 0.00 0.00 0.00 179.25 178.92 3gd3 h ARG 147 N -0.25 0.68 -0.08 0.00 2.47 -1.27 0.39 114.38 116.31 3gd3 h ARG 147 Ca 0.18 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.83 3gd3 h ARG 147 Cb 0.56 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3gd3 h ARG 147 CO -0.59 0.45 -0.04 1.03 0.56 0.00 0.00 179.97 181.38 3gd3 h SER 148 N 0.70 0.18 -0.36 7.04 0.87 -1.11 -2.09 113.55 118.78 3gd3 h SER 148 Ca 0.32 -0.42 0.06 0.00 -1.23 0.00 0.00 61.79 60.53 3gd3 h SER 148 Cb 0.35 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.21 3gd3 h SER 148 CO -0.11 0.56 -0.01 0.40 -0.53 0.00 0.00 176.83 177.14 3gd3 h ILE 149 N -0.21 0.73 -0.80 2.23 2.04 -0.61 0.18 117.51 121.07 3gd3 h ILE 149 Ca 0.02 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 65.96 3gd3 h ILE 149 Cb 0.49 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 3gd3 h ILE 149 CO 0.01 0.02 0.42 0.03 0.00 0.00 0.00 178.15 178.63 3gd3 h ARG 150 N 0.09 0.66 -0.30 2.37 2.47 -0.94 -1.92 114.38 116.81 3gd3 h ARG 150 Ca 0.17 -0.04 -0.15 0.00 -1.26 0.00 0.00 59.98 58.71 3gd3 h ARG 150 Cb 0.24 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3gd3 h ARG 150 CO -0.30 0.43 -0.39 0.00 0.56 0.00 0.00 179.97 180.28 3gd3 h ALA 151 N 1.49 0.45 0.11 0.04 0.00 -0.37 -3.32 119.26 117.67 3gd3 h ALA 151 Ca 0.41 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 3gd3 h ALA 151 Cb 0.47 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.20 3gd3 h ALA 151 CO -0.30 0.55 -1.01 -0.09 0.00 0.00 0.00 179.25 178.41 3gd3 h ARG 152 N 0.56 0.49 -4.99 0.00 9.65 -0.31 -3.40 114.38 116.37 3gd3 h ARG 152 Ca 0.04 -0.67 -0.65 0.00 -1.10 0.00 0.00 59.98 57.59 3gd3 h ARG 152 Cb 0.98 0.23 -0.35 0.00 -1.39 0.00 0.00 29.97 29.44 3gd3 h ARG 152 CO 0.09 1.29 -0.86 0.34 2.80 0.00 0.00 179.97 183.64 3gd3 s ASP 153 N -7.17 3.02 0.33 -3.80 -1.08 -0.76 -5.10 116.67 102.10 3gd3 s ASP 153 Ca -0.11 -0.61 0.00 0.00 -0.52 0.00 0.00 52.55 51.31 3gd3 s ASP 153 Cb 0.04 -1.40 0.00 0.00 -1.46 0.00 0.00 42.92 40.09 3gd3 s ASP 153 CO 0.88 0.00 0.00 -2.65 0.52 0.00 0.00 175.17 173.92 3gd3 n PRO 154 N 4.56 0.12 -1.77 4.34 -0.02 -1.25 -4.19 135.00 136.79 3gd3 n PRO 154 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3gd3 n PRO 154 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3gd3 n PRO 154 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gd3 n GLY 155 N 0.73 0.00 3.34 -1.23 0.00 -1.26 -4.82 105.19 101.95 3gd3 n GLY 155 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.36 2.24 -0.33 4.61 0.00 -1.24 -4.67 121.76 120.01 3gd3 s ALA 156 Ca 0.00 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.62 3gd3 s ALA 156 Cb 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3gd3 s ALA 156 CO 0.00 0.53 0.22 1.03 0.00 0.00 0.00 175.76 177.54 3gd3 s ARG 157 N -1.04 3.53 -0.10 0.00 0.52 -1.26 -2.60 118.95 118.00 3gd3 s ARG 157 Ca 0.11 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 3gd3 s ARG 157 Cb -0.10 -3.75 -0.01 0.00 0.52 0.00 0.00 34.95 31.61 3gd3 s ARG 157 CO 0.01 -0.40 -0.20 0.08 0.02 0.00 0.00 175.30 174.81 3gd3 s VAL 158 N 1.71 2.47 -0.26 3.52 1.01 -0.47 -3.09 120.40 125.29 3gd3 s VAL 158 Ca 0.06 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 3gd3 s VAL 158 Cb -0.17 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.31 3gd3 s VAL 158 CO 0.10 0.55 0.02 -0.22 0.00 0.00 0.00 175.10 175.55 3gd3 s LEU 159 N 0.21 2.42 0.06 3.92 2.96 -0.42 -1.61 118.68 126.22 3gd3 s LEU 159 Ca -0.12 -1.33 -0.29 0.00 -0.22 0.00 0.00 54.13 52.17 3gd3 s LEU 159 Cb -0.16 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 3gd3 s LEU 159 CO 0.07 -0.31 0.91 -0.63 -1.32 0.00 0.00 176.35 175.06 3gd3 s ILE 160 N 1.50 4.66 -0.19 6.68 1.01 -0.84 -1.05 121.20 132.97 3gd3 s ILE 160 Ca 0.01 1.95 0.01 0.00 0.00 0.00 0.00 60.65 62.61 3gd3 s ILE 160 Cb -0.18 -4.27 0.02 0.00 0.01 0.00 0.00 42.46 38.05 3gd3 s ILE 160 CO -0.12 0.29 -0.18 -0.69 0.00 0.00 0.00 174.94 174.24 3gd3 s VAL 161 N 0.26 2.19 0.04 2.92 1.01 0.12 -2.17 120.40 124.77 3gd3 s VAL 161 Ca 0.46 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.53 3gd3 s VAL 161 Cb -0.22 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3gd3 s VAL 161 CO 0.27 0.46 -0.24 -0.55 0.00 0.00 0.00 175.10 175.04 3gd3 s SER 162 N 1.28 3.33 -0.03 3.32 0.15 -1.19 0.46 113.70 121.02 3gd3 s SER 162 Ca 0.03 -0.54 -0.22 0.00 0.70 0.00 0.00 55.95 55.93 3gd3 s SER 162 Cb -0.14 -0.38 -0.26 0.00 -1.71 0.00 0.00 66.02 63.53 3gd3 s SER 162 CO -0.11 0.26 1.00 -0.08 1.20 0.00 0.00 173.24 175.51 3gd3 h GLU 163 N 4.78 0.30 -7.08 5.44 4.81 -1.82 -0.95 114.58 120.05 3gd3 h GLU 163 Ca -0.47 -0.38 -0.56 0.00 -0.13 0.00 0.00 59.36 57.82 3gd3 h GLU 163 Cb 1.14 0.12 0.16 0.00 0.63 0.00 0.00 28.75 30.81 3gd3 h GLU 163 CO 0.45 1.11 0.43 -0.25 -0.73 0.00 0.00 179.01 180.01 3gd3 n ASP 164 N -4.27 1.72 -2.19 1.04 9.92 -1.26 -3.01 116.55 118.50 3gd3 n ASP 164 Ca -0.11 0.78 -0.20 0.00 -0.53 0.00 0.00 54.79 54.74 3gd3 n ASP 164 Cb 0.68 -1.53 -0.06 0.00 -0.64 0.00 0.00 41.12 39.57 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 -2.01 2.09 -3.85 -0.24 -0.05 -1.26 -1.24 135.00 128.45 3gd3 n PRO 165 Ca 0.15 -1.71 -0.12 0.00 -0.05 0.00 0.00 63.50 61.77 3gd3 n PRO 165 Cb 0.48 -1.93 -0.13 0.00 -0.05 0.00 0.00 33.50 31.88 3gd3 n PRO 165 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 3gd3 s GLU 166 N -0.99 0.12 0.44 0.54 0.41 -1.26 -4.92 118.70 113.05 3gd3 s GLU 166 Ca 0.51 0.07 -0.23 0.00 -0.41 0.00 0.00 54.97 54.92 3gd3 s GLU 166 Cb 0.31 0.06 -0.08 0.00 -1.78 0.00 0.00 34.13 32.64 3gd3 s GLU 166 CO -0.11 -0.02 1.09 -0.51 -0.49 0.00 0.00 175.26 175.22 3gd3 s LEU 167 N -0.06 4.02 0.04 1.80 1.43 -1.26 -4.93 118.68 119.71 3gd3 s LEU 167 Ca -0.01 2.11 -0.32 0.00 -1.03 0.00 0.00 54.13 54.87 3gd3 s LEU 167 Cb -0.01 -4.29 -0.17 0.00 0.03 0.00 0.00 46.19 41.75 3gd3 s LEU 167 CO 0.00 -0.72 0.83 -2.65 0.23 0.00 0.00 176.35 174.04 3gd3 n PRO 168 N -0.44 0.00 -3.66 1.29 -0.02 -1.26 -4.93 135.00 125.98 3gd3 n PRO 168 Ca 0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.44 3gd3 n PRO 168 Cb 0.50 -1.21 -0.11 0.00 -0.02 0.00 0.00 33.50 32.66 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 -0.18 -0.65 0.36 6.00 -0.85 -1.26 -2.90 117.35 117.88 3gd3 s TYR 169 Ca 0.74 1.30 -0.28 0.00 -0.52 0.00 0.00 57.07 58.31 3gd3 s TYR 169 Cb -1.04 0.17 -0.11 0.00 0.38 0.00 0.00 41.96 41.36 3gd3 s TYR 169 CO 0.49 -0.43 1.50 0.00 -1.52 0.00 0.00 175.55 175.59 3gd3 s MET 170 N 2.49 4.12 -0.01 -3.49 0.23 -0.89 -4.85 119.30 116.91 3gd3 s MET 170 Ca -0.01 2.56 -0.07 0.00 -1.03 0.00 0.00 55.69 57.14 3gd3 s MET 170 Cb -0.12 -2.98 -0.30 0.00 -1.53 0.00 0.00 34.83 29.90 3gd3 s MET 170 CO -0.11 -0.54 0.82 0.00 -2.03 0.00 0.00 175.02 173.15 3gd3 h ARG 171 N 3.40 0.34 -0.79 3.16 3.08 -1.97 -3.39 114.38 118.21 3gd3 h ARG 171 Ca -0.50 -0.58 0.23 0.00 0.07 0.00 0.00 59.98 59.20 3gd3 h ARG 171 Cb 1.23 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 3gd3 h ARG 171 CO 0.67 1.23 0.58 -1.35 -1.07 0.00 0.00 179.97 180.04 3gd3 h PRO 172 N 0.09 0.00 -0.93 0.04 0.11 -2.00 0.11 132.00 129.42 3gd3 h PRO 172 Ca -0.28 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.84 3gd3 h PRO 172 Cb 2.06 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 33.13 3gd3 h PRO 172 CO 0.18 0.00 0.62 -1.35 -0.21 0.00 0.00 178.00 177.24 3gd3 h PRO 173 N 0.00 1.22 -0.07 1.05 0.11 -1.98 -3.27 132.00 129.06 3gd3 h PRO 173 Ca 0.37 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.43 3gd3 h PRO 173 Cb 1.53 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gd3 h PRO 173 CO -0.00 0.81 0.08 -0.07 -0.21 0.00 0.00 178.00 178.60 3gd3 h LEU 174 N 1.25 0.00 -2.67 2.35 3.38 -1.22 -1.50 115.31 116.91 3gd3 h LEU 174 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3gd3 h LEU 174 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3gd3 h LEU 174 CO -0.08 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.91 3gd3 n SER 175 N -3.81 2.43 0.00 -0.43 3.41 -1.24 -4.87 113.62 109.12 3gd3 n SER 175 Ca -0.01 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 3gd3 n SER 175 Cb 0.17 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.19 0.00 0.31 4.33 5.02 -0.58 -4.50 118.16 122.93 3gd3 n LYS 176 Ca 0.07 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.55 3gd3 n LYS 176 Cb 0.33 0.00 1.03 0.00 -0.02 0.00 0.00 35.03 36.37 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 -0.39 1.97 5.08 -1.78 -2.66 114.58 116.80 3gd3 h GLU 177 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3gd3 h GLU 177 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3gd3 h GLU 177 CO 0.00 0.02 0.13 -0.07 -1.00 0.00 0.00 179.01 178.09 3gd3 h LEU 178 N 0.00 0.56 -1.87 1.33 3.38 -1.85 -3.09 115.31 113.77 3gd3 h LEU 178 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3gd3 h LEU 178 Cb 0.13 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3gd3 h LEU 178 CO 0.00 0.61 0.00 -0.50 0.09 0.00 0.00 178.44 178.64 3gd3 h TRP 179 N 0.49 0.00 -0.03 1.13 4.06 -1.76 -3.14 115.95 116.69 3gd3 h TRP 179 Ca 0.13 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.08 3gd3 h TRP 179 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 3gd3 h TRP 179 CO 0.01 0.00 0.00 1.19 -3.56 0.00 0.00 178.44 176.08 3gd3 n PHE 180 N -3.07 0.03 -2.44 0.49 3.01 -1.17 -4.90 117.46 109.41 3gd3 n PHE 180 Ca -0.00 -0.02 -0.25 0.00 1.01 0.00 0.00 57.45 58.19 3gd3 n PHE 180 Cb 0.24 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.75 3gd3 n PHE 180 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gd3 s SER 181 N -1.93 5.26 -0.12 4.37 1.04 -1.19 -5.04 113.70 116.09 3gd3 s SER 181 Ca 0.38 0.41 0.07 0.00 0.48 0.00 0.00 55.95 57.29 3gd3 s SER 181 Cb 0.20 -1.28 -0.12 0.00 0.10 0.00 0.00 66.02 64.92 3gd3 s SER 181 CO 0.33 -1.24 -0.02 0.47 0.98 0.00 0.00 173.24 173.76 3gd3 n ASP 182 N -2.60 2.44 -4.53 7.02 8.00 -1.26 -5.00 116.55 120.61 3gd3 n ASP 182 Ca 0.06 -0.03 -0.60 0.00 0.71 0.00 0.00 54.79 54.94 3gd3 n ASP 182 Cb 0.59 0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 42.01 3gd3 n ASP 182 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gd3 n ASP 183 N -2.61 1.54 0.23 -2.24 9.92 -1.26 -4.85 116.55 117.28 3gd3 n ASP 183 Ca -0.21 0.86 0.10 0.00 -0.53 0.00 0.00 54.79 55.01 3gd3 n ASP 183 Cb 0.84 -1.02 0.50 0.00 -0.64 0.00 0.00 41.12 40.79 3gd3 n ASP 183 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 3gd3 h PRO 184 N 8.15 0.00 0.00 -0.24 0.11 -2.03 -3.00 132.00 134.99 3gd3 h PRO 184 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3gd3 h PRO 184 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3gd3 h PRO 184 CO 1.02 0.21 -0.17 0.09 -0.21 0.00 0.00 178.00 178.94 3gd3 n ASN 185 N -3.43 0.29 -0.25 -2.05 3.02 -1.26 -3.97 115.26 107.61 3gd3 n ASN 185 Ca -0.00 0.30 0.10 0.00 -0.03 0.00 0.00 54.58 54.94 3gd3 n ASN 185 Cb 0.40 -0.30 0.36 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.90 0.00 2.41 2.07 -1.87 0.12 116.25 119.88 3gd3 h VAL 186 Ca 0.00 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3gd3 h VAL 186 Cb 0.55 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3gd3 h VAL 186 CO 0.00 0.13 -0.07 0.00 0.02 0.00 0.00 177.57 177.66 3gd3 h THR 187 N 0.73 1.02 0.03 2.57 1.03 -1.80 1.32 112.91 117.81 3gd3 h THR 187 Ca 0.41 -0.23 -0.00 0.00 -0.01 0.00 0.00 66.41 66.57 3gd3 h THR 187 Cb 0.56 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 3gd3 h THR 187 CO -0.17 0.07 -0.01 0.11 -0.01 0.00 0.00 175.52 175.50 3gd3 h LYS 188 N 0.00 -0.04 0.15 0.00 1.57 -1.03 -3.40 116.57 113.82 3gd3 h LYS 188 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.43 3gd3 h LYS 188 Cb 0.12 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3gd3 h LYS 188 CO 0.01 0.66 -1.87 1.79 -0.57 0.00 0.00 179.45 179.47 3gd3 h THR 189 N -0.83 0.78 -1.33 -0.16 1.35 -1.23 -3.49 112.91 108.00 3gd3 h THR 189 Ca -0.00 -2.44 -0.13 0.00 -0.55 0.00 0.00 66.41 63.29 3gd3 h THR 189 Cb 0.72 2.63 0.01 0.00 -1.73 0.00 0.00 68.15 69.77 3gd3 h THR 189 CO 0.01 0.87 -0.18 0.18 -0.25 0.00 0.00 175.52 176.15 3gd3 n LEU 190 N -3.52 -1.59 -4.44 3.87 4.77 0.45 -4.97 117.00 111.57 3gd3 n LEU 190 Ca -0.28 -0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.22 3gd3 n LEU 190 Cb 1.06 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3gd3 n LEU 190 CO 0.47 0.00 0.42 -1.10 -1.33 0.00 0.00 177.39 175.86 3gd3 s GLN 191 N -4.61 3.12 0.10 3.23 -1.52 -1.26 -3.52 119.66 115.21 3gd3 s GLN 191 Ca 0.05 -0.92 -0.05 0.00 -1.95 0.00 0.00 55.36 52.49 3gd3 s GLN 191 Cb -0.02 -4.14 -0.05 0.00 -0.22 0.00 0.00 33.01 28.58 3gd3 s GLN 191 CO 0.06 -1.36 0.34 -0.59 -0.25 0.00 0.00 175.29 173.49 3gd3 s PHE 192 N 2.87 3.51 0.17 0.91 -0.71 -1.19 -4.90 117.98 118.65 3gd3 s PHE 192 Ca 0.16 0.55 -0.27 0.00 -1.04 0.00 0.00 56.93 56.34 3gd3 s PHE 192 Cb -0.19 -1.99 -0.08 0.00 -1.21 0.00 0.00 43.02 39.54 3gd3 s PHE 192 CO 0.11 0.49 0.83 1.03 -1.34 0.00 0.00 175.22 176.34 3gd3 s ARG 193 N -2.40 4.65 0.61 1.99 0.52 -1.26 -3.16 118.95 119.90 3gd3 s ARG 193 Ca 0.37 1.26 -0.02 0.00 -0.52 0.00 0.00 55.73 56.82 3gd3 s ARG 193 Cb -0.13 -3.28 0.04 0.00 0.52 0.00 0.00 34.95 32.11 3gd3 s ARG 193 CO 0.23 0.52 0.87 -0.65 0.02 0.00 0.00 175.30 176.28 3gd3 s GLN 194 N -1.01 2.42 0.18 3.54 -0.21 -1.00 -4.78 119.66 118.81 3gd3 s GLN 194 Ca 0.38 -0.56 -0.13 0.00 0.02 0.00 0.00 55.36 55.08 3gd3 s GLN 194 Cb -0.24 -2.36 0.17 0.00 1.00 0.00 0.00 33.01 31.58 3gd3 s GLN 194 CO 0.28 -0.91 1.76 -1.49 -2.12 0.00 0.00 175.29 172.81 3gd3 h TRP 195 N -0.19 0.38 -0.00 0.91 -0.00 -1.92 -2.38 115.95 112.75 3gd3 h TRP 195 Ca -0.43 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.48 3gd3 h TRP 195 Cb 1.30 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 30.37 3gd3 h TRP 195 CO 0.36 0.15 -0.04 0.27 -0.00 0.00 0.00 178.44 179.18 3gd3 n ASN 196 N -4.95 0.16 0.00 -3.49 6.94 -1.26 -4.94 115.26 107.71 3gd3 n ASN 196 Ca 0.05 -0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.28 3gd3 n ASN 196 Cb 0.18 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 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 1.27 1.71 3.46 4.83 0.00 -0.90 -5.00 105.19 110.56 3gd3 n GLY 197 Ca 0.15 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3gd3 n GLY 197 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gd3 n LYS 198 N 0.00 0.59 -2.48 1.61 4.81 -1.26 -2.36 118.16 119.07 3gd3 n LYS 198 Ca 0.00 0.22 -0.23 0.00 -0.87 0.00 0.00 58.31 57.43 3gd3 n LYS 198 Cb 0.00 -1.54 0.06 0.00 0.02 0.00 0.00 35.03 33.57 3gd3 n LYS 198 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3gd3 s GLU 199 N -1.64 2.24 0.29 1.64 2.02 -1.26 -3.54 118.70 118.44 3gd3 s GLU 199 Ca 0.64 -0.68 -0.07 0.00 0.02 0.00 0.00 54.97 54.87 3gd3 s GLU 199 Cb -0.58 -2.35 -0.00 0.00 0.10 0.00 0.00 34.13 31.29 3gd3 s GLU 199 CO 0.58 -1.04 0.46 -0.98 0.02 0.00 0.00 175.26 174.29 3gd3 s ARG 200 N -5.00 1.71 -0.16 1.61 1.04 -1.19 -4.95 118.95 112.01 3gd3 s ARG 200 Ca 0.60 -1.53 -0.09 0.00 -1.04 0.00 0.00 55.73 53.68 3gd3 s ARG 200 Cb -0.09 0.45 -0.05 0.00 -2.04 0.00 0.00 34.95 33.22 3gd3 s ARG 200 CO 0.42 -0.70 0.15 0.45 -0.04 0.00 0.00 175.30 175.57 3gd3 s SER 201 N -3.13 6.31 0.59 -2.89 0.15 -1.26 -3.18 113.70 110.29 3gd3 s SER 201 Ca 0.27 0.36 0.38 0.00 0.70 0.00 0.00 55.95 57.66 3gd3 s SER 201 Cb 0.00 -2.09 2.05 0.00 -1.71 0.00 0.00 66.02 64.27 3gd3 s SER 201 CO 0.14 0.27 2.15 -0.29 1.20 0.00 0.00 173.24 176.72 3gd3 h ILE 202 N 4.36 0.00 -3.19 6.45 2.10 -1.93 -3.42 117.51 121.88 3gd3 h ILE 202 Ca -0.47 0.00 -0.49 0.00 1.08 0.00 0.00 64.86 64.98 3gd3 h ILE 202 Cb 1.19 0.84 0.01 0.00 -1.09 0.00 0.00 36.82 37.76 3gd3 h ILE 202 CO 0.68 0.00 -0.08 -0.31 -1.08 0.00 0.00 178.15 177.37 3gd3 s TYR 203 N -4.00 3.51 0.02 2.19 2.02 -1.26 -2.08 117.35 117.75 3gd3 s TYR 203 Ca -0.04 0.61 0.12 0.00 -0.37 0.00 0.00 57.07 57.39 3gd3 s TYR 203 Cb 0.11 -2.10 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3gd3 s TYR 203 CO 0.34 0.02 1.42 0.74 -1.57 0.00 0.00 175.55 176.51 3gd3 h PHE 204 N 0.96 0.00 -3.18 2.71 0.04 -1.78 -3.47 116.94 112.23 3gd3 h PHE 204 Ca -0.48 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.20 3gd3 h PHE 204 Cb 1.20 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.19 3gd3 h PHE 204 CO 0.56 0.70 -0.17 -0.65 -0.60 0.00 0.00 178.31 178.14 3gd3 s GLN 205 N -2.98 0.87 0.70 1.51 -1.52 -1.26 -5.14 119.66 111.85 3gd3 s GLN 205 Ca 0.02 -0.44 -0.13 0.00 -1.95 0.00 0.00 55.36 52.86 3gd3 s GLN 205 Cb 0.09 0.38 0.02 0.00 -0.22 0.00 0.00 33.01 33.29 3gd3 s GLN 205 CO 0.77 -0.29 1.10 -1.25 -0.25 0.00 0.00 175.29 175.37 3gd3 s PRO 206 N -2.56 2.61 0.62 2.91 0.04 -1.26 -4.93 135.00 132.44 3gd3 s PRO 206 Ca -0.05 1.26 0.30 0.00 0.04 0.00 0.00 61.00 62.55 3gd3 s PRO 206 Cb -0.01 -1.94 1.59 0.00 0.04 0.00 0.00 34.50 34.19 3gd3 s PRO 206 CO -0.03 -1.38 1.95 -1.35 0.04 0.00 0.00 177.00 176.23 3gd3 h PRO 207 N -0.46 0.00 0.00 0.56 0.11 -2.02 -1.83 132.00 128.36 3gd3 h PRO 207 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gd3 h PRO 207 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gd3 h PRO 207 CO 0.53 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.19 3gd3 n SER 208 N -3.37 0.46 0.09 -2.05 3.41 -1.26 -2.49 113.62 108.41 3gd3 n SER 208 Ca 0.03 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.33 3gd3 n SER 208 Cb 0.48 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 3gd3 n SER 208 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3gd3 h PHE 209 N 0.00 0.00 -3.56 7.33 3.57 -1.70 -3.46 116.94 119.12 3gd3 h PHE 209 Ca 0.00 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 61.01 3gd3 h PHE 209 Cb 0.31 0.00 0.04 0.00 2.79 0.00 0.00 35.95 39.08 3gd3 h PHE 209 CO 0.00 0.19 0.11 0.71 -2.23 0.00 0.00 178.31 177.09 3gd3 s TYR 210 N -3.21 3.54 0.28 0.41 2.02 -1.04 -4.78 117.35 114.56 3gd3 s TYR 210 Ca -0.01 0.79 0.08 0.00 -0.37 0.00 0.00 57.07 57.56 3gd3 s TYR 210 Cb 0.09 -2.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 3gd3 s TYR 210 CO 0.79 -0.32 0.18 0.14 -1.57 0.00 0.00 175.55 174.77 3gd3 s VAL 211 N -2.76 3.98 0.69 0.71 -7.23 0.26 -4.99 120.40 111.07 3gd3 s VAL 211 Ca 0.48 -1.50 -0.14 0.00 -1.81 0.00 0.00 61.98 59.00 3gd3 s VAL 211 Cb -0.10 -3.23 0.02 0.00 0.56 0.00 0.00 36.38 33.62 3gd3 s VAL 211 CO 0.45 -0.30 1.12 -0.55 -0.31 0.00 0.00 175.10 175.50 3gd3 s SER 212 N -3.85 4.87 0.09 4.85 0.15 -1.26 -4.12 113.70 114.43 3gd3 s SER 212 Ca 0.35 2.00 -0.21 0.00 0.70 0.00 0.00 55.95 58.79 3gd3 s SER 212 Cb -0.07 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.58 3gd3 s SER 212 CO 0.24 -1.79 1.67 0.00 1.20 0.00 0.00 173.24 174.56 3gd3 h ALA 213 N -0.25 0.17 -0.20 5.45 0.00 -1.97 -2.80 119.26 119.66 3gd3 h ALA 213 Ca -0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3gd3 h ALA 213 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3gd3 h ALA 213 CO 0.53 -0.29 0.09 0.37 0.00 0.00 0.00 179.25 179.95 3gd3 h GLN 214 N 0.10 0.29 0.00 0.00 5.75 -1.97 -2.52 115.11 116.75 3gd3 h GLN 214 Ca 0.04 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3gd3 h GLN 214 Cb 0.10 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 3gd3 h GLN 214 CO -0.01 0.34 -0.01 -0.44 -2.65 0.00 0.00 178.83 176.06 3gd3 h ASP 215 N 0.17 0.00 -0.13 -0.69 3.32 -1.95 -3.36 116.42 113.78 3gd3 h ASP 215 Ca 0.07 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.16 3gd3 h ASP 215 Cb 0.15 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 3gd3 h ASP 215 CO -0.01 0.01 -0.26 0.25 -1.72 0.00 0.00 179.24 177.51 3gd3 h LEU 216 N 0.00 -0.81 -0.17 1.55 5.85 -1.16 -1.09 115.31 119.48 3gd3 h LEU 216 Ca -0.00 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3gd3 h LEU 216 Cb 0.13 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3gd3 h LEU 216 CO 0.00 -0.31 0.10 -0.65 -0.34 0.00 0.00 178.44 177.24 3gd3 h PRO 217 N -0.33 0.23 -0.33 5.25 0.11 -1.78 -3.29 132.00 131.87 3gd3 h PRO 217 Ca 0.10 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 3gd3 h PRO 217 Cb 0.48 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3gd3 h PRO 217 CO -0.32 0.19 -0.19 -0.91 -0.21 0.00 0.00 178.00 176.56 3gd3 h ASN 218 N 0.20 0.61 -2.41 -2.05 2.35 -1.63 -3.45 115.58 109.20 3gd3 h ASN 218 Ca 0.06 -0.20 -0.56 0.00 -0.55 0.00 0.00 56.30 55.06 3gd3 h ASN 218 Cb 0.02 -0.17 0.05 0.00 0.05 0.00 0.00 38.32 38.28 3gd3 h ASN 218 CO -0.01 0.81 0.94 0.00 -1.65 0.00 0.00 177.43 177.51 3gd3 n ILE 219 N -4.14 0.10 -1.98 2.81 3.06 -0.47 -4.93 119.36 113.81 3gd3 n ILE 219 Ca 0.00 -0.02 -0.42 0.00 -2.50 0.00 0.00 62.75 59.81 3gd3 n ILE 219 Cb 0.39 -1.79 -0.03 0.00 0.54 0.00 0.00 39.64 38.75 3gd3 n ILE 219 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 3gd3 s GLU 220 N 1.51 4.21 0.00 9.51 2.12 -1.26 -2.20 118.70 132.58 3gd3 s GLU 220 Ca 0.79 2.27 0.00 0.00 0.36 0.00 0.00 54.97 58.39 3gd3 s GLU 220 Cb -0.60 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.16 3gd3 s GLU 220 CO 0.37 -0.72 0.00 0.09 -0.54 0.00 0.00 175.26 174.46 3gd3 n ASN 221 N 5.73 -1.10 0.00 -1.70 3.02 -1.26 -4.94 115.26 115.00 3gd3 n ASN 221 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3gd3 n ASN 221 Cb 0.41 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 -2.37 2.06 0.00 7.41 0.00 -0.94 -3.69 105.19 107.67 3gd3 n GLY 222 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 0.92 3.48 -0.02 0.00 -1.07 -4.93 105.19 103.57 3gd3 n GLY 223 Ca 0.00 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.28 3.55 0.37 1.61 1.01 -1.26 -1.37 120.40 122.03 3gd3 s VAL 224 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3gd3 s VAL 224 Cb 0.00 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 3gd3 s VAL 224 CO 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.60 3gd3 s ALA 225 N -0.01 3.02 0.05 5.51 0.00 -0.64 0.93 121.76 130.62 3gd3 s ALA 225 Ca -0.01 -2.19 0.01 0.00 0.00 0.00 0.00 51.96 49.77 3gd3 s ALA 225 Cb -0.14 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3gd3 s ALA 225 CO 0.03 -0.04 -0.05 0.54 0.00 0.00 0.00 175.76 176.24 3gd3 s VAL 226 N -2.70 0.36 -0.49 0.00 0.11 -1.26 -1.99 120.40 114.42 3gd3 s VAL 226 Ca 0.34 -1.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.11 3gd3 s VAL 226 Cb 0.06 -0.85 0.16 0.00 -1.53 0.00 0.00 36.38 34.22 3gd3 s VAL 226 CO 0.17 -0.62 0.34 -0.22 -3.33 0.00 0.00 175.10 171.43 3gd3 s LEU 227 N -2.04 2.70 0.81 2.54 0.20 -0.92 -4.57 118.68 117.39 3gd3 s LEU 227 Ca -0.05 -3.06 -0.13 0.00 0.69 0.00 0.00 54.13 51.57 3gd3 s LEU 227 Cb -0.04 -0.95 0.07 0.00 -0.43 0.00 0.00 46.19 44.85 3gd3 s LEU 227 CO -0.03 -0.19 1.13 0.35 -0.29 0.00 0.00 176.35 177.32 3gd3 n THR 228 N 2.94 1.96 -2.45 3.68 -2.24 -1.26 -3.18 114.28 113.73 3gd3 n THR 228 Ca 0.19 -0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 61.57 3gd3 n THR 228 Cb 0.39 -1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 67.47 3gd3 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gd3 n GLY 229 N 0.65 -0.36 2.72 3.38 0.00 -0.37 -4.92 105.19 106.29 3gd3 n GLY 229 Ca 0.13 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.01 0.35 -0.08 1.61 -0.14 -0.40 -4.96 119.74 111.10 3gd3 s LYS 230 Ca 0.05 0.08 -0.04 0.00 -1.36 0.00 0.00 55.97 54.70 3gd3 s LYS 230 Cb -0.02 -1.14 -0.04 0.00 -1.68 0.00 0.00 37.83 34.95 3gd3 s LYS 230 CO 0.07 -0.41 0.08 0.21 -0.76 0.00 0.00 175.35 174.54 3gd3 s LYS 231 N 2.03 3.22 0.08 1.68 2.20 -1.26 -3.03 119.74 124.66 3gd3 s LYS 231 Ca 0.04 -0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.06 3gd3 s LYS 231 Cb -0.13 -2.99 -0.05 0.00 -1.51 0.00 0.00 37.83 33.14 3gd3 s LYS 231 CO -0.06 0.73 0.92 0.08 -0.36 0.00 0.00 175.35 176.66 3gd3 s VAL 232 N -1.02 4.60 -0.12 4.02 1.01 -1.26 -1.33 120.40 126.29 3gd3 s VAL 232 Ca 0.16 1.97 0.01 0.00 0.00 0.00 0.00 61.98 64.12 3gd3 s VAL 232 Cb -0.12 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.99 3gd3 s VAL 232 CO 0.06 0.31 0.40 1.33 0.00 0.00 0.00 175.10 177.20 3gd3 n VAL 233 N 2.95 0.00 -3.70 2.92 0.24 -1.07 -4.91 118.33 114.75 3gd3 n VAL 233 Ca 0.02 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 3gd3 n VAL 233 Cb 0.50 1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.38 -0.56 -0.05 6.34 2.46 -1.23 -4.99 115.29 116.88 3gd3 s HIS 234 Ca 0.01 1.34 0.04 0.00 0.47 0.00 0.00 55.06 56.92 3gd3 s HIS 234 Cb 0.01 0.20 -0.00 0.00 -0.13 0.00 0.00 32.58 32.66 3gd3 s HIS 234 CO 0.02 -0.27 -0.18 -1.17 -2.47 0.00 0.00 174.74 170.67 3gd3 s LEU 235 N 0.39 1.91 -0.32 8.88 2.96 -1.26 -2.65 118.68 128.58 3gd3 s LEU 235 Ca -0.01 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3gd3 s LEU 235 Cb -0.04 -1.04 0.09 0.00 0.50 0.00 0.00 46.19 45.70 3gd3 s LEU 235 CO -0.01 0.14 0.03 -0.62 -1.32 0.00 0.00 176.35 174.58 3gd3 s ASP 236 N 0.15 4.61 0.14 3.68 3.68 -0.77 -3.60 116.67 124.56 3gd3 s ASP 236 Ca -0.07 -1.97 -0.17 0.00 2.13 0.00 0.00 52.55 52.47 3gd3 s ASP 236 Cb -0.13 -1.52 -0.01 0.00 -1.45 0.00 0.00 42.92 39.81 3gd3 s ASP 236 CO 0.03 -0.35 1.76 0.58 0.13 0.00 0.00 175.17 177.32 3gd3 h VAL 237 N 6.62 1.12 -0.07 1.11 2.07 -1.83 -1.30 116.25 123.97 3gd3 h VAL 237 Ca -0.07 -0.29 -0.16 0.00 0.82 0.00 0.00 66.70 67.00 3gd3 h VAL 237 Cb 1.02 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3gd3 h VAL 237 CO 0.50 0.12 -0.64 0.03 0.02 0.00 0.00 177.57 177.60 3gd3 h ARG 238 N 0.46 0.28 0.00 1.57 3.08 -1.95 -2.88 114.38 114.95 3gd3 h ARG 238 Ca 0.13 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3gd3 h ARG 238 Cb 0.01 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3gd3 h ARG 238 CO -0.02 0.83 0.00 0.78 -1.07 0.00 0.00 179.97 180.48 3gd3 h GLY 239 N 1.46 0.00 -5.79 0.04 0.00 -1.98 -3.47 103.07 93.32 3gd3 h GLY 239 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.97 3gd3 h GLY 239 CO 0.10 0.00 -0.84 0.70 0.00 0.00 0.00 176.54 176.50 3gd3 n ASN 240 N -2.41 -3.78 -3.90 0.19 3.02 -0.55 -4.85 115.26 102.98 3gd3 n ASN 240 Ca 0.05 -0.76 -0.09 0.00 -0.03 0.00 0.00 54.58 53.74 3gd3 n ASN 240 Cb 0.41 -4.60 -0.07 0.00 -0.61 0.00 0.00 39.78 34.91 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 -5.31 0.95 -0.01 3.52 0.23 -0.84 -1.25 119.30 116.59 3gd3 s MET 241 Ca 0.22 -1.05 0.02 0.00 -1.03 0.00 0.00 55.69 53.84 3gd3 s MET 241 Cb -0.05 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.61 3gd3 s MET 241 CO 0.78 -0.32 -0.05 0.14 -2.03 0.00 0.00 175.02 173.54 3gd3 s VAL 242 N -3.91 0.44 0.16 5.16 -7.23 0.51 -1.85 120.40 113.69 3gd3 s VAL 242 Ca 0.10 -0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 59.96 3gd3 s VAL 242 Cb 0.04 -0.40 -0.07 0.00 0.56 0.00 0.00 36.38 36.52 3gd3 s VAL 242 CO -0.07 0.14 0.51 -0.54 -0.31 0.00 0.00 175.10 174.84 3gd3 s LYS 243 N 0.11 3.86 0.47 4.82 1.02 -1.09 -1.28 119.74 127.65 3gd3 s LYS 243 Ca -0.01 0.33 0.08 0.00 0.02 0.00 0.00 55.97 56.39 3gd3 s LYS 243 Cb -0.05 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 3gd3 s LYS 243 CO -0.00 0.44 0.51 -0.51 -0.92 0.00 0.00 175.35 174.86 3gd3 s LEU 244 N -2.28 3.29 0.23 3.17 1.43 -0.20 -2.60 118.68 121.71 3gd3 s LEU 244 Ca 0.40 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 3gd3 s LEU 244 Cb -0.13 -1.98 0.20 0.00 0.03 0.00 0.00 46.19 44.31 3gd3 s LEU 244 CO 0.20 -0.88 1.88 -0.55 0.23 0.00 0.00 176.35 177.22 3gd3 h ASN 245 N 0.73 1.05 0.66 2.29 7.08 -1.53 -1.63 115.58 124.23 3gd3 h ASN 245 Ca -0.38 -0.06 0.00 0.00 -3.08 0.00 0.00 56.30 52.78 3gd3 h ASN 245 Cb 1.28 -0.26 0.00 0.00 -2.08 0.00 0.00 38.32 37.25 3gd3 h ASN 245 CO 0.51 0.80 0.00 -2.24 -2.08 0.00 0.00 177.43 174.43 3gd3 h ASP 246 N 1.21 0.00 0.00 6.14 3.04 -1.96 -3.47 116.42 121.38 3gd3 h ASP 246 Ca 0.32 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.11 3gd3 h ASP 246 Cb -0.06 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.23 3gd3 h ASP 246 CO -0.06 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.75 3gd3 n GLY 247 N -0.33 2.38 3.76 7.15 0.00 -0.61 -5.09 105.19 112.45 3gd3 n GLY 247 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.65 5.76 -0.03 1.61 1.04 -1.26 -4.63 113.70 114.55 3gd3 s SER 248 Ca 0.00 2.85 0.04 0.00 0.48 0.00 0.00 55.95 59.32 3gd3 s SER 248 Cb 0.00 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 3gd3 s SER 248 CO 0.00 -1.24 -0.12 -1.10 0.98 0.00 0.00 173.24 171.76 3gd3 s GLN 249 N -2.55 2.49 -0.08 4.02 -0.21 -1.26 -1.04 119.66 121.03 3gd3 s GLN 249 Ca 0.63 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 55.32 3gd3 s GLN 249 Cb -0.42 -2.41 0.01 0.00 1.00 0.00 0.00 33.01 31.18 3gd3 s GLN 249 CO 0.53 0.61 -0.17 0.42 -2.12 0.00 0.00 175.29 174.57 3gd3 s ILE 250 N -0.84 1.53 0.25 1.08 1.01 -0.40 -4.43 121.20 119.40 3gd3 s ILE 250 Ca 0.13 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.15 3gd3 s ILE 250 Cb -0.11 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3gd3 s ILE 250 CO 0.03 0.44 0.21 0.42 0.00 0.00 0.00 174.94 176.04 3gd3 s THR 251 N 0.58 4.47 0.36 2.92 -4.23 -1.19 -0.36 115.64 118.19 3gd3 s THR 251 Ca -0.15 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3gd3 s THR 251 Cb -0.17 -3.42 -0.00 0.00 1.34 0.00 0.00 72.50 70.25 3gd3 s THR 251 CO 0.05 -0.35 0.46 0.72 -0.54 0.00 0.00 174.62 174.96 3gd3 s PHE 252 N -2.13 1.25 -0.03 3.99 -0.12 -0.38 -1.81 117.98 118.75 3gd3 s PHE 252 Ca 0.33 -1.41 -0.04 0.00 -0.05 0.00 0.00 56.93 55.75 3gd3 s PHE 252 Cb -0.08 -0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 3gd3 s PHE 252 CO 0.25 -1.13 -0.10 0.39 -0.05 0.00 0.00 175.22 174.58 3gd3 n GLU 253 N -0.61 0.16 -5.03 1.99 1.02 -1.18 -4.89 120.64 112.09 3gd3 n GLU 253 Ca 0.02 0.07 -0.29 0.00 -0.02 0.00 0.00 57.16 56.94 3gd3 n GLU 253 Cb 0.61 -0.77 -0.17 0.00 -0.02 0.00 0.00 31.44 31.10 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 -2.19 2.35 0.06 3.49 -0.14 0.28 -4.84 119.74 118.75 3gd3 s LYS 254 Ca -0.10 -0.74 0.09 0.00 -1.36 0.00 0.00 55.97 53.86 3gd3 s LYS 254 Cb 0.03 -1.92 -0.03 0.00 -1.68 0.00 0.00 37.83 34.23 3gd3 s LYS 254 CO 0.13 0.23 -0.26 0.00 -0.76 0.00 0.00 175.35 174.70 3gd3 s LEU 256 N -1.40 2.01 -0.27 0.00 2.96 -0.29 -1.71 118.68 120.00 3gd3 s LEU 256 Ca 0.11 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 3gd3 s LEU 256 Cb -0.10 -0.80 0.00 0.00 0.50 0.00 0.00 46.19 45.79 3gd3 s LEU 256 CO 0.03 0.18 0.03 -0.63 -1.32 0.00 0.00 176.35 174.64 3gd3 s ILE 257 N -0.32 3.72 -0.30 6.68 1.01 -0.56 -0.56 121.20 130.87 3gd3 s ILE 257 Ca 0.05 -0.64 0.20 0.00 0.00 0.00 0.00 60.65 60.26 3gd3 s ILE 257 Cb -0.06 -2.85 0.48 0.00 0.01 0.00 0.00 42.46 40.03 3gd3 s ILE 257 CO -0.00 0.20 1.01 0.00 0.00 0.00 0.00 174.94 176.15 3gd3 n ALA 258 N 4.83 3.11 0.30 9.38 0.00 -0.36 -2.82 120.51 134.94 3gd3 n ALA 258 Ca -0.16 -2.97 0.08 0.00 0.00 0.00 0.00 53.44 50.39 3gd3 n ALA 258 Cb 0.49 -0.92 0.38 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.26 1.12 0.00 0.00 -2.24 -1.22 -4.49 114.28 107.19 3gd3 n THR 259 Ca 0.08 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 3gd3 n THR 259 Cb 0.81 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.55 3.52 3.26 3.38 0.00 -1.26 -4.78 105.19 108.76 3gd3 n GLY 260 Ca 0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 1.53 -0.02 -0.02 0.00 -1.26 -2.11 107.32 105.44 3gd3 s GLY 261 Ca 0.00 -1.76 0.06 0.00 0.00 0.00 0.00 44.72 43.02 3gd3 s GLY 261 CO 0.00 -1.50 -0.19 -1.59 0.00 0.00 0.00 173.10 169.81 3gd3 s THR 262 N -3.91 1.51 0.51 0.90 2.01 -0.95 -4.82 115.64 110.91 3gd3 s THR 262 Ca 0.36 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.32 3gd3 s THR 262 Cb 0.07 -1.26 -0.06 0.00 0.01 0.00 0.00 72.50 71.26 3gd3 s THR 262 CO 0.11 0.43 1.27 -2.65 -0.69 0.00 0.00 174.62 173.09 3gd3 n PRO 263 N 2.62 1.64 -3.18 4.92 -0.02 -1.26 -0.29 135.00 139.42 3gd3 n PRO 263 Ca -0.15 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.61 3gd3 n PRO 263 Cb 0.53 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 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 -2.64 3.90 0.13 -0.52 0.52 -1.14 -4.70 118.95 114.50 3gd3 s ARG 264 Ca 0.69 0.50 0.10 0.00 -0.52 0.00 0.00 55.73 56.49 3gd3 s ARG 264 Cb -0.45 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 3gd3 s ARG 264 CO 0.52 0.17 -0.23 -1.54 0.02 0.00 0.00 175.30 174.24 3gd3 s SER 265 N -2.47 2.96 0.26 0.23 1.04 -1.26 -4.61 113.70 109.84 3gd3 s SER 265 Ca 0.51 -0.76 -0.22 0.00 0.48 0.00 0.00 55.95 55.97 3gd3 s SER 265 Cb -0.10 -0.19 -0.09 0.00 0.10 0.00 0.00 66.02 65.74 3gd3 s SER 265 CO 0.21 0.10 0.80 -0.22 0.98 0.00 0.00 173.24 175.11 3gd3 s LEU 266 N -2.16 4.34 0.37 2.42 2.96 -1.26 -4.81 118.68 120.53 3gd3 s LEU 266 Ca 0.12 1.56 0.20 0.00 -0.22 0.00 0.00 54.13 55.79 3gd3 s LEU 266 Cb -0.09 -3.73 1.26 0.00 0.50 0.00 0.00 46.19 44.12 3gd3 s LEU 266 CO 0.06 -0.00 1.62 0.28 -1.32 0.00 0.00 176.35 176.99 3gd3 h SER 267 N 3.33 0.39 0.47 3.68 0.02 -1.98 0.45 113.55 119.90 3gd3 h SER 267 Ca -0.47 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3gd3 h SER 267 Cb 1.19 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3gd3 h SER 267 CO 0.65 -0.29 -0.22 0.00 -1.14 0.00 0.00 176.83 175.83 3gd3 h ALA 268 N 1.89 -0.63 0.00 3.77 0.00 -1.89 -2.98 119.26 119.42 3gd3 h ALA 268 Ca 0.80 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 55.35 3gd3 h ALA 268 Cb 2.06 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 3gd3 h ALA 268 CO -0.66 -0.78 -0.87 0.82 0.00 0.00 0.00 179.25 177.76 3gd3 h ILE 269 N -0.76 1.49 -0.03 0.00 2.04 -1.09 -1.73 117.51 117.44 3gd3 h ILE 269 Ca -0.06 -2.60 -0.00 0.00 1.00 0.00 0.00 64.86 63.19 3gd3 h ILE 269 Cb 0.54 2.45 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3gd3 h ILE 269 CO 0.11 0.76 0.02 -0.78 0.00 0.00 0.00 178.15 178.25 3gd3 h ASP 270 N 0.11 0.04 0.73 1.72 3.58 -0.38 -2.98 116.42 119.23 3gd3 h ASP 270 Ca -0.04 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.33 3gd3 h ASP 270 Cb 1.49 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.53 3gd3 h ASP 270 CO 0.13 0.11 -0.12 0.54 -2.88 0.00 0.00 179.24 177.02 3gd3 n ARG 271 N -5.03 0.18 -1.04 0.28 1.74 -1.13 -4.89 116.66 106.77 3gd3 n ARG 271 Ca -0.07 -0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.68 3gd3 n ARG 271 Cb 0.07 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.21 3gd3 n ARG 271 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gd3 s ALA 272 N -2.85 0.58 0.91 7.54 0.00 -0.65 -4.99 121.76 122.29 3gd3 s ALA 272 Ca 0.18 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 3gd3 s ALA 272 Cb 0.19 -3.09 0.08 0.00 0.00 0.00 0.00 23.12 20.30 3gd3 s ALA 272 CO 0.55 -3.20 0.80 0.41 0.00 0.00 0.00 175.76 174.31 3gd3 n GLY 273 N -0.72 -1.11 0.22 0.00 0.00 -1.26 -4.78 105.19 97.53 3gd3 n GLY 273 Ca 0.06 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.48 3gd3 n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gd3 h ALA 274 N -1.56 1.10 -0.11 4.61 0.00 -1.97 -0.30 119.26 121.04 3gd3 h ALA 274 Ca -0.44 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 3gd3 h ALA 274 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3gd3 h ALA 274 CO 0.39 0.34 -0.76 0.93 0.00 0.00 0.00 179.25 180.15 3gd3 h GLU 275 N 0.00 0.58 0.00 0.00 5.08 -1.98 -2.78 114.58 115.48 3gd3 h GLU 275 Ca -0.00 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 3gd3 h GLU 275 Cb 0.70 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3gd3 h GLU 275 CO 0.04 1.10 -0.34 -0.39 -1.00 0.00 0.00 179.01 178.42 3gd3 h VAL 276 N 0.39 0.34 0.00 3.13 -1.51 -1.88 -3.14 116.25 113.58 3gd3 h VAL 276 Ca -0.04 -1.49 -0.07 0.00 -1.23 0.00 0.00 66.70 63.87 3gd3 h VAL 276 Cb 1.36 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 32.62 3gd3 h VAL 276 CO 0.14 0.19 -0.33 0.50 -1.23 0.00 0.00 177.57 176.85 3gd3 h LYS 277 N 0.00 0.00 -0.81 5.19 3.64 -1.01 -2.50 116.57 121.07 3gd3 h LYS 277 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3gd3 h LYS 277 Cb 1.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3gd3 h LYS 277 CO 0.03 0.33 0.02 -1.13 -2.27 0.00 0.00 179.45 176.42 3gd3 n SER 278 N -3.86 3.30 0.00 4.20 3.41 -1.05 -3.43 113.62 116.18 3gd3 n SER 278 Ca -0.01 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 3gd3 n SER 278 Cb 0.40 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3gd3 n SER 278 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gd3 n ARG 279 N 0.27 0.72 -3.97 4.33 1.74 -0.95 -5.03 116.66 113.77 3gd3 n ARG 279 Ca 0.14 -0.71 -0.29 0.00 -0.77 0.00 0.00 57.85 56.23 3gd3 n ARG 279 Cb 0.73 -0.65 -0.17 0.00 -1.02 0.00 0.00 32.46 31.36 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 -0.26 1.37 -0.13 0.55 2.01 -1.21 -0.86 115.64 117.10 3gd3 s THR 280 Ca 0.00 -0.57 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 3gd3 s THR 280 Cb 0.00 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 3gd3 s THR 280 CO 0.00 0.37 0.03 0.42 -0.69 0.00 0.00 174.62 174.75 3gd3 s THR 281 N 1.56 4.55 0.17 -0.82 -4.23 0.42 -4.97 115.64 112.31 3gd3 s THR 281 Ca 0.04 -0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.33 3gd3 s THR 281 Cb -0.13 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.66 3gd3 s THR 281 CO -0.09 0.54 0.46 -0.76 -0.54 0.00 0.00 174.62 174.23 3gd3 s LEU 282 N -0.31 4.24 -0.17 4.79 1.43 -1.26 -2.88 118.68 124.52 3gd3 s LEU 282 Ca 0.08 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 3gd3 s LEU 282 Cb -0.12 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.71 3gd3 s LEU 282 CO 0.02 0.02 -0.19 0.12 0.23 0.00 0.00 176.35 176.55 3gd3 s PHE 283 N -1.67 2.77 0.00 0.29 5.36 -1.25 -4.86 117.98 118.62 3gd3 s PHE 283 Ca 0.42 -1.49 0.00 0.00 -0.96 0.00 0.00 56.93 54.90 3gd3 s PHE 283 Cb -0.12 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.65 3gd3 s PHE 283 CO 0.22 -0.73 0.00 0.54 -1.46 0.00 0.00 175.22 173.79 3gd3 n ARG 284 N 4.47 0.00 -3.54 10.12 5.12 -1.26 -4.83 116.66 126.74 3gd3 n ARG 284 Ca -0.20 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.49 3gd3 n ARG 284 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 3gd3 n ARG 284 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3gd3 s LYS 285 N -1.00 2.37 0.26 5.56 1.02 -1.26 -5.03 119.74 121.65 3gd3 s LYS 285 Ca 0.00 -1.75 0.05 0.00 0.02 0.00 0.00 55.97 54.29 3gd3 s LYS 285 Cb 0.00 -2.35 0.32 0.00 -0.52 0.00 0.00 37.83 35.29 3gd3 s LYS 285 CO 0.00 -0.54 1.61 0.82 -0.92 0.00 0.00 175.35 176.33 3gd3 h ILE 286 N 0.69 1.35 -0.70 2.17 2.04 -2.00 -2.70 117.51 118.36 3gd3 h ILE 286 Ca -0.37 -1.78 0.10 0.00 1.00 0.00 0.00 64.86 63.81 3gd3 h ILE 286 Cb 1.29 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 39.18 3gd3 h ILE 286 CO 0.53 0.53 0.47 1.23 0.00 0.00 0.00 178.15 180.90 3gd3 h GLY 287 N 1.35 0.81 1.29 5.37 0.00 -2.00 -1.30 103.07 108.60 3gd3 h GLY 287 Ca 0.01 -0.23 -0.32 0.00 0.00 0.00 0.00 47.33 46.78 3gd3 h GLY 287 CO 0.08 0.14 -1.48 -0.55 0.00 0.00 0.00 176.54 174.72 3gd3 h ASP 288 N 0.57 0.65 -0.38 0.19 5.19 -1.88 -2.34 116.42 118.42 3gd3 h ASP 288 Ca 0.33 -0.76 0.05 0.00 -0.62 0.00 0.00 57.03 56.02 3gd3 h ASP 288 Cb 0.51 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 3gd3 h ASP 288 CO -0.11 1.61 0.13 0.15 -3.12 0.00 0.00 179.24 177.90 3gd3 h PHE 289 N 0.11 0.23 -0.00 4.55 3.04 -1.11 0.12 116.94 123.88 3gd3 h PHE 289 Ca -0.24 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.73 3gd3 h PHE 289 Cb 2.10 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 40.56 3gd3 h PHE 289 CO 0.10 0.09 0.00 0.00 -2.02 0.00 0.00 178.31 176.48 3gd3 h ARG 290 N 0.28 0.00 -0.33 1.11 3.08 -1.36 0.10 114.38 117.27 3gd3 h ARG 290 Ca 0.17 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.29 3gd3 h ARG 290 Cb 0.16 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 3gd3 h ARG 290 CO -0.18 0.19 -0.05 0.00 -1.07 0.00 0.00 179.97 178.86 3gd3 h ALA 291 N 0.82 0.26 -0.14 0.04 0.00 -1.19 -1.59 119.26 117.45 3gd3 h ALA 291 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3gd3 h ALA 291 Cb 0.18 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3gd3 h ALA 291 CO -0.00 -0.44 -0.35 1.25 0.00 0.00 0.00 179.25 179.72 3gd3 h LEU 292 N 0.04 0.54 -0.82 0.00 5.85 -0.78 -1.38 115.31 118.76 3gd3 h LEU 292 Ca 0.16 -0.58 0.20 0.00 0.84 0.00 0.00 57.88 58.50 3gd3 h LEU 292 Cb 0.24 -0.16 -0.13 0.00 0.37 0.00 0.00 40.66 40.98 3gd3 h LEU 292 CO -0.31 1.03 0.18 -0.08 -0.34 0.00 0.00 178.44 178.92 3gd3 h GLU 293 N 0.09 0.21 -0.13 1.25 4.22 -0.59 2.13 114.58 121.76 3gd3 h GLU 293 Ca -0.00 -0.01 -0.16 0.00 0.08 0.00 0.00 59.36 59.26 3gd3 h GLU 293 Cb 0.96 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3gd3 h GLU 293 CO 0.08 0.14 -0.60 -0.22 -2.18 0.00 0.00 179.01 176.23 3gd3 h LYS 294 N 0.22 0.42 -0.10 1.92 3.64 -1.27 -3.08 116.57 118.31 3gd3 h LYS 294 Ca 0.49 -0.28 -0.14 0.00 -1.27 0.00 0.00 60.65 59.45 3gd3 h LYS 294 Cb 0.92 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 3gd3 h LYS 294 CO -0.61 0.89 -0.54 0.82 -2.27 0.00 0.00 179.45 177.74 3gd3 h ILE 295 N 0.31 1.36 0.00 2.00 2.04 0.80 -3.16 117.51 120.87 3gd3 h ILE 295 Ca -0.00 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.03 3gd3 h ILE 295 Cb 1.13 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3gd3 h ILE 295 CO 0.10 0.55 0.00 -1.54 0.00 0.00 0.00 178.15 177.26 3gd3 n SER 296 N -3.93 0.42 -0.11 1.72 3.41 0.68 -1.49 113.62 114.32 3gd3 n SER 296 Ca -0.02 0.68 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 3gd3 n SER 296 Cb 0.58 -0.74 0.13 0.00 -0.26 0.00 0.00 64.21 63.92 3gd3 n SER 296 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3gd3 n ARG 297 N -2.05 1.20 0.00 4.33 0.63 -1.19 -4.80 116.66 114.78 3gd3 n ARG 297 Ca -0.00 -2.49 0.00 0.00 -0.92 0.00 0.00 57.85 54.43 3gd3 n ARG 297 Cb 0.06 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.53 3gd3 n ARG 297 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3gd3 n GLU 298 N -1.34 2.11 -4.23 -0.14 1.02 -0.56 -5.10 120.64 112.42 3gd3 n GLU 298 Ca 0.15 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.01 3gd3 n GLU 298 Cb 0.65 -0.74 -0.09 0.00 -0.02 0.00 0.00 31.44 31.23 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 -1.41 3.46 -0.13 2.62 -7.23 -1.15 -5.05 120.40 111.52 3gd3 s VAL 299 Ca 0.00 -1.36 0.29 0.00 -1.81 0.00 0.00 61.98 59.10 3gd3 s VAL 299 Cb 0.00 -2.67 0.37 0.00 0.56 0.00 0.00 36.38 34.64 3gd3 s VAL 299 CO 0.00 0.01 1.84 0.11 -0.31 0.00 0.00 175.10 176.75 3gd3 h LYS 300 N 3.24 0.00 -2.49 4.82 1.79 -1.95 -3.45 116.57 118.53 3gd3 h LYS 300 Ca -0.48 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.90 3gd3 h LYS 300 Cb 1.18 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.59 3gd3 h LYS 300 CO 0.54 0.00 -0.16 0.45 -1.08 0.00 0.00 179.45 179.21 3gd3 s SER 301 N -5.79 -0.58 0.01 0.86 0.15 -1.26 -3.38 113.70 103.71 3gd3 s SER 301 Ca 0.04 1.04 0.01 0.00 0.70 0.00 0.00 55.95 57.74 3gd3 s SER 301 Cb 0.08 1.00 -0.01 0.00 -1.71 0.00 0.00 66.02 65.37 3gd3 s SER 301 CO 0.58 -0.19 -0.05 -0.63 1.20 0.00 0.00 173.24 174.15 3gd3 s ILE 302 N 0.78 0.38 -0.07 6.45 1.01 -1.18 -1.29 121.20 127.29 3gd3 s ILE 302 Ca -0.04 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.14 3gd3 s ILE 302 Cb -0.05 -0.38 0.01 0.00 0.01 0.00 0.00 42.46 42.05 3gd3 s ILE 302 CO -0.06 -0.09 -0.17 -0.89 0.00 0.00 0.00 174.94 173.73 3gd3 s THR 303 N -0.57 1.50 -0.45 2.92 2.01 -1.12 -1.89 115.64 118.04 3gd3 s THR 303 Ca -0.03 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 3gd3 s THR 303 Cb -0.05 -1.32 0.11 0.00 0.01 0.00 0.00 72.50 71.25 3gd3 s THR 303 CO -0.00 0.43 0.30 -0.69 -0.69 0.00 0.00 174.62 173.98 3gd3 s VAL 304 N 0.47 4.02 0.45 3.82 1.01 -0.18 -1.19 120.40 128.79 3gd3 s VAL 304 Ca -0.15 -1.78 -0.24 0.00 0.00 0.00 0.00 61.98 59.82 3gd3 s VAL 304 Cb -0.16 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 3gd3 s VAL 304 CO 0.05 -0.71 1.22 -0.63 0.00 0.00 0.00 175.10 175.03 3gd3 s ILE 305 N 1.33 2.88 0.00 2.22 1.01 -0.38 -3.47 121.20 124.78 3gd3 s ILE 305 Ca 0.06 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3gd3 s ILE 305 Cb -0.25 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.84 3gd3 s ILE 305 CO -0.01 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3gd3 n GLY 306 N 0.57 3.18 0.10 6.18 0.00 0.18 -2.20 105.19 113.21 3gd3 n GLY 306 Ca 0.06 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 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 0.40 -0.92 3.29 -0.02 0.00 -1.26 -4.52 105.19 102.16 3gd3 n GLY 307 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 3gd3 n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 308 N 1.82 -2.96 0.35 -0.02 0.00 -1.26 -0.93 105.19 102.18 3gd3 n GLY 308 Ca -0.35 -1.33 0.16 0.00 0.00 0.00 0.00 46.02 44.50 3gd3 n GLY 308 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3gd3 h PHE 309 N -3.06 1.01 -0.25 1.61 -1.00 -1.96 -1.80 116.94 111.49 3gd3 h PHE 309 Ca -0.49 0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.27 3gd3 h PHE 309 Cb 1.28 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.54 3gd3 h PHE 309 CO -1.81 0.10 -0.06 1.25 -1.61 0.00 0.00 178.31 176.18 3gd3 h LEU 310 N 0.62 0.48 -2.49 1.54 5.85 -1.92 -1.43 115.31 117.96 3gd3 h LEU 310 Ca 0.62 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3gd3 h LEU 310 Cb 1.13 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3gd3 h LEU 310 CO -0.45 0.74 -0.01 1.23 -0.34 0.00 0.00 178.44 179.60 3gd3 h GLY 311 N 0.22 0.00 0.47 3.75 0.00 -1.56 -2.49 103.07 103.46 3gd3 h GLY 311 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 3gd3 h GLY 311 CO 0.02 0.00 -1.79 1.44 0.00 0.00 0.00 176.54 176.22 3gd3 n SER 312 N -3.22 0.41 0.07 0.19 7.64 -0.93 -3.40 113.62 114.37 3gd3 n SER 312 Ca -0.02 0.18 -0.18 0.00 1.01 0.00 0.00 58.87 59.86 3gd3 n SER 312 Cb 0.14 0.89 -0.09 0.00 -1.01 0.00 0.00 64.21 64.15 3gd3 n SER 312 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3gd3 h GLU 313 N 0.00 0.54 0.00 1.43 5.08 -1.00 -2.05 114.58 118.57 3gd3 h GLU 313 Ca -0.20 -0.63 -0.08 0.00 -1.00 0.00 0.00 59.36 57.44 3gd3 h GLU 313 Cb 1.55 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 3gd3 h GLU 313 CO 0.03 1.25 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.81 3gd3 h LEU 314 N 0.28 0.00 -0.34 1.33 3.38 -1.63 -1.12 115.31 117.20 3gd3 h LEU 314 Ca -0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3gd3 h LEU 314 Cb 1.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 3gd3 h LEU 314 CO 0.20 0.40 -0.20 0.00 0.09 0.00 0.00 178.44 178.93 3gd3 h ALA 315 N 1.60 0.90 -0.01 1.53 0.00 -1.60 -2.83 119.26 118.85 3gd3 h ALA 315 Ca -0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 3gd3 h ALA 315 Cb 1.10 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.88 3gd3 h ALA 315 CO 0.05 0.25 -0.89 0.00 0.00 0.00 0.00 179.25 178.66 3gd3 h ALA 317 N 0.38 1.35 -0.13 0.00 0.00 -1.21 -1.55 119.26 118.09 3gd3 h ALA 317 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3gd3 h ALA 317 Cb 1.56 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gd3 h ALA 317 CO 0.18 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.24 3gd3 n LEU 318 N -4.36 1.99 -0.06 0.00 4.77 -1.07 -2.42 117.00 115.85 3gd3 n LEU 318 Ca 0.07 -1.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.01 3gd3 n LEU 318 Cb 0.10 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.55 3gd3 n LEU 318 CO 0.38 0.33 -0.94 0.61 -1.33 0.00 0.00 177.39 176.44 3gd3 n GLY 319 N 0.18 -0.78 0.12 -0.72 0.00 -0.59 -3.88 105.19 99.51 3gd3 n GLY 319 Ca 0.06 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 3gd3 n GLY 319 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gd3 h ARG 320 N 0.00 0.32 -0.16 1.61 2.47 -1.53 -3.32 114.38 113.78 3gd3 h ARG 320 Ca -0.32 -0.55 -0.08 0.00 -1.26 0.00 0.00 59.98 57.77 3gd3 h ARG 320 Cb 1.67 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 30.18 3gd3 h ARG 320 CO 0.02 1.26 -0.26 -0.22 0.56 0.00 0.00 179.97 181.33 3gd3 h LYS 321 N -0.33 0.28 0.00 0.04 3.11 -1.71 -2.88 116.57 115.09 3gd3 h LYS 321 Ca -0.15 -0.10 -0.02 0.00 -2.81 0.00 0.00 60.65 57.57 3gd3 h LYS 321 Cb 1.69 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.89 3gd3 h LYS 321 CO 0.16 0.53 -0.10 0.66 -2.81 0.00 0.00 179.45 177.89 3gd3 h SER 322 N 0.26 0.00 0.00 4.20 4.64 -1.70 -2.21 113.55 118.73 3gd3 h SER 322 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3gd3 h SER 322 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3gd3 h SER 322 CO 0.04 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 3gd3 n GLN 323 N -3.18 0.94 0.07 4.77 6.02 -1.09 -2.80 117.38 122.12 3gd3 n GLN 323 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3gd3 n GLN 323 Cb 0.44 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.62 3.00 0.49 -1.58 0.00 -1.19 -4.89 120.51 115.73 3gd3 n ALA 324 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.56 3gd3 n ALA 324 Cb 0.02 0.04 0.29 0.00 0.00 0.00 0.00 19.45 19.81 3gd3 n ALA 324 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gd3 n SER 325 N -3.05 0.00 0.00 0.00 7.64 -0.84 -4.87 113.62 112.50 3gd3 n SER 325 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.29 3gd3 n SER 325 Cb 0.03 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3gd3 n SER 325 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gd3 n GLY 326 N -0.15 1.92 3.69 0.23 0.00 -1.12 -4.95 105.19 104.81 3gd3 n GLY 326 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 3gd3 n GLY 326 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gd3 n ILE 327 N -1.34 0.07 -2.82 -0.61 5.41 -1.26 -4.97 119.36 113.83 3gd3 n ILE 327 Ca 0.00 -0.01 -0.37 0.00 1.00 0.00 0.00 62.75 63.37 3gd3 n ILE 327 Cb 0.00 -1.78 -0.06 0.00 -0.71 0.00 0.00 39.64 37.08 3gd3 n ILE 327 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3gd3 s GLU 328 N 1.36 4.57 0.01 0.38 2.12 -1.22 -4.59 118.70 121.32 3gd3 s GLU 328 Ca 0.78 1.29 0.03 0.00 0.36 0.00 0.00 54.97 57.43 3gd3 s GLU 328 Cb -0.59 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 3gd3 s GLU 328 CO 0.36 0.32 -0.10 0.08 -0.54 0.00 0.00 175.26 175.38 3gd3 s VAL 329 N -1.56 0.78 0.19 3.70 1.01 -1.26 -3.07 120.40 120.18 3gd3 s VAL 329 Ca 0.48 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.91 3gd3 s VAL 329 Cb -0.19 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 3gd3 s VAL 329 CO 0.24 0.08 -0.10 -0.63 0.00 0.00 0.00 175.10 174.69 3gd3 s ILE 330 N -0.51 1.41 -0.10 2.22 1.01 -0.79 -1.82 121.20 122.62 3gd3 s ILE 330 Ca 0.01 -2.12 -0.04 0.00 0.00 0.00 0.00 60.65 58.50 3gd3 s ILE 330 Cb -0.05 -2.05 0.05 0.00 0.01 0.00 0.00 42.46 40.42 3gd3 s ILE 330 CO 0.00 -0.59 0.22 -1.58 0.00 0.00 0.00 174.94 173.00 3gd3 s GLN 331 N -3.72 0.15 -0.04 2.79 0.74 -0.86 -1.01 119.66 117.71 3gd3 s GLN 331 Ca 0.22 0.57 0.06 0.00 0.05 0.00 0.00 55.36 56.25 3gd3 s GLN 331 Cb 0.02 -0.13 -0.01 0.00 1.10 0.00 0.00 33.01 33.99 3gd3 s GLN 331 CO 0.05 -0.21 -0.21 -0.48 -0.55 0.00 0.00 175.29 173.88 3gd3 s LEU 332 N 1.69 2.01 -0.05 3.68 0.05 -1.23 -0.97 118.68 123.86 3gd3 s LEU 332 Ca -0.05 -0.42 -0.16 0.00 0.05 0.00 0.00 54.13 53.56 3gd3 s LEU 332 Cb -0.11 -1.15 0.03 0.00 -2.05 0.00 0.00 46.19 42.91 3gd3 s LEU 332 CO -0.08 0.22 0.36 0.72 -0.55 0.00 0.00 176.35 177.03 3gd3 s PHE 333 N -0.22 -0.28 0.25 3.48 -0.12 -1.22 -0.65 117.98 119.22 3gd3 s PHE 333 Ca 0.01 0.52 0.36 0.00 -0.05 0.00 0.00 56.93 57.77 3gd3 s PHE 333 Cb -0.11 0.14 1.78 0.00 -0.63 0.00 0.00 43.02 44.20 3gd3 s PHE 333 CO 0.02 -0.37 2.09 -1.35 -0.05 0.00 0.00 175.22 175.56 3gd3 h PRO 334 N 4.17 0.00 -7.41 1.99 0.11 -1.91 0.29 132.00 129.24 3gd3 h PRO 334 Ca -0.29 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.35 3gd3 h PRO 334 Cb 1.17 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.41 3gd3 h PRO 334 CO 0.37 0.00 0.30 -1.21 -0.21 0.00 0.00 178.00 177.24 3gd3 s GLU 335 N -3.83 1.51 0.18 1.05 8.01 -1.26 -4.00 118.70 120.35 3gd3 s GLU 335 Ca -0.02 0.57 0.24 0.00 0.01 0.00 0.00 54.97 55.77 3gd3 s GLU 335 Cb 0.10 -1.86 0.34 0.00 -4.31 0.00 0.00 34.13 28.40 3gd3 s GLU 335 CO 0.42 -2.00 1.35 0.87 0.01 0.00 0.00 175.26 175.91 3gd3 h LYS 336 N -1.37 0.00 -3.39 1.61 1.57 -1.93 -1.66 116.57 111.41 3gd3 h LYS 336 Ca -0.49 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 3gd3 h LYS 336 Cb 1.29 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.48 3gd3 h LYS 336 CO 0.59 0.00 -0.06 0.20 -0.57 0.00 0.00 179.45 179.61 3gd3 s GLY 337 N -3.83 -0.21 0.01 3.86 0.00 -1.26 -4.90 107.32 100.99 3gd3 s GLY 337 Ca 0.06 -0.11 -0.31 0.00 0.00 0.00 0.00 44.72 44.35 3gd3 s GLY 337 CO 0.71 -0.31 1.96 0.70 0.00 0.00 0.00 173.10 176.16 3gd3 n ASN 338 N -0.25 4.04 -2.74 1.64 3.02 -0.15 -0.95 115.26 119.86 3gd3 n ASN 338 Ca -0.14 0.92 -0.16 0.00 -0.03 0.00 0.00 54.58 55.17 3gd3 n ASN 338 Cb 0.63 -1.50 0.06 0.00 -0.61 0.00 0.00 39.78 38.37 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 7.37 -5.43 0.21 3.52 2.81 -0.10 -4.38 117.12 121.11 3gd3 n MET 339 Ca 0.21 0.60 0.07 0.00 -1.81 0.00 0.00 57.70 56.77 3gd3 n MET 339 Cb 0.39 -4.94 0.48 0.00 -0.71 0.00 0.00 33.22 28.44 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 -1.76 0.00 -0.83 3.03 0.00 -1.31 0.12 103.07 102.33 3gd3 h GLY 340 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3gd3 h GLY 340 CO 0.39 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.21 3gd3 n LYS 341 N -3.82 1.51 0.10 4.80 5.02 -1.26 -4.28 118.16 120.23 3gd3 n LYS 341 Ca -0.01 -0.66 0.00 0.00 -2.02 0.00 0.00 58.31 55.61 3gd3 n LYS 341 Cb 0.37 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.04 0.31 -1.55 -0.18 5.41 -0.97 -3.87 119.36 118.55 3gd3 n ILE 342 Ca 0.06 0.10 -0.31 0.00 1.00 0.00 0.00 62.75 63.60 3gd3 n ILE 342 Cb 0.21 -0.74 0.05 0.00 -0.71 0.00 0.00 39.64 38.45 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 -6.72 3.14 0.67 1.39 1.43 0.37 -1.76 118.68 117.20 3gd3 s LEU 343 Ca 0.00 1.67 -0.14 0.00 -1.03 0.00 0.00 54.13 54.63 3gd3 s LEU 343 Cb 0.00 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.72 3gd3 s LEU 343 CO 0.00 -1.53 1.09 -2.84 0.23 0.00 0.00 176.35 173.31 3gd3 s PRO 344 N -4.95 2.78 0.27 1.29 0.02 -1.26 -4.62 135.00 128.52 3gd3 s PRO 344 Ca 0.59 1.28 -0.01 0.00 0.02 0.00 0.00 61.00 62.89 3gd3 s PRO 344 Cb -0.15 -1.96 0.60 0.00 0.02 0.00 0.00 34.50 33.01 3gd3 s PRO 344 CO 0.54 -1.25 1.68 0.37 -0.33 0.00 0.00 177.00 178.01 3gd3 h GLN 345 N -0.20 0.29 0.00 5.54 -0.00 -1.96 0.50 115.11 119.29 3gd3 h GLN 345 Ca -0.46 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 58.10 3gd3 h GLN 345 Cb 1.24 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.64 3gd3 h GLN 345 CO 0.54 0.19 -0.35 0.10 0.00 0.00 0.00 178.83 179.31 3gd3 h TYR 346 N 0.30 0.00 0.05 3.99 -0.00 -1.98 0.13 116.97 119.46 3gd3 h TYR 346 Ca 0.49 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 58.88 3gd3 h TYR 346 Cb 0.90 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.59 3gd3 h TYR 346 CO -0.23 0.35 -2.03 -0.11 -0.00 0.00 0.00 178.16 176.15 3gd3 n LEU 347 N -3.65 1.69 0.29 0.10 7.94 -0.69 -3.01 117.00 119.67 3gd3 n LEU 347 Ca -0.01 0.20 0.19 0.00 -1.11 0.00 0.00 56.01 55.28 3gd3 n LEU 347 Cb 0.46 -0.41 0.87 0.00 0.53 0.00 0.00 43.42 44.87 3gd3 n LEU 347 CO 0.36 0.65 1.05 0.77 -1.11 0.00 0.00 177.39 179.12 3gd3 h SER 348 N 0.03 0.00 -0.09 1.96 4.64 -0.91 -2.72 113.55 116.46 3gd3 h SER 348 Ca -0.42 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.79 3gd3 h SER 348 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 3gd3 h SER 348 CO 0.05 0.00 -0.37 -1.13 -0.87 0.00 0.00 176.83 174.51 3gd3 h ASN 349 N 0.00 0.48 -0.60 4.97 -0.00 -0.79 -0.36 115.58 119.28 3gd3 h ASN 349 Ca 0.00 -0.63 -0.05 0.00 -0.00 0.00 0.00 56.30 55.61 3gd3 h ASN 349 Cb 0.32 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 38.47 3gd3 h ASN 349 CO 0.00 1.04 0.18 -0.25 -0.00 0.00 0.00 177.43 178.40 3gd3 h TRP 350 N -0.04 1.01 -0.92 0.67 7.01 -1.40 -2.66 115.95 119.63 3gd3 h TRP 350 Ca -0.02 -0.10 0.03 0.00 2.11 0.00 0.00 58.89 60.92 3gd3 h TRP 350 Cb 1.01 -0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 27.72 3gd3 h TRP 350 CO 0.12 0.82 0.59 1.15 -2.79 0.00 0.00 178.44 178.33 3gd3 h THR 351 N 0.94 1.15 -0.30 2.65 2.02 -1.57 -2.47 112.91 115.33 3gd3 h THR 351 Ca 0.21 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3gd3 h THR 351 Cb 0.30 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 3gd3 h THR 351 CO -0.01 0.21 0.09 -0.03 0.37 0.00 0.00 175.52 176.15 3gd3 h MET 352 N 1.15 0.42 -0.38 6.66 1.85 -1.37 -2.08 114.93 121.18 3gd3 h MET 352 Ca 0.36 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.40 3gd3 h MET 352 Cb 0.00 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 31.95 3gd3 h MET 352 CO -0.12 0.38 0.00 -1.91 -0.40 0.00 0.00 176.91 174.86 3gd3 n GLU 353 N -4.39 1.90 -0.05 0.39 4.07 -0.94 -1.74 120.64 119.88 3gd3 n GLU 353 Ca 0.01 -1.39 -0.05 0.00 -0.06 0.00 0.00 57.16 55.67 3gd3 n GLU 353 Cb 0.16 -1.31 -0.07 0.00 -0.06 0.00 0.00 31.44 30.16 3gd3 n GLU 353 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3gd3 n LYS 354 N 0.63 2.13 0.04 5.31 3.00 -0.92 -3.47 118.16 124.89 3gd3 n LYS 354 Ca 0.13 0.01 -0.01 0.00 -0.00 0.00 0.00 58.31 58.44 3gd3 n LYS 354 Cb 0.33 -1.23 0.27 0.00 0.00 0.00 0.00 35.03 34.41 3gd3 n LYS 354 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3gd3 h VAL 355 N 0.00 1.23 0.00 3.15 2.07 -1.43 -0.21 116.25 121.06 3gd3 h VAL 355 Ca -0.24 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.12 3gd3 h VAL 355 Cb 1.51 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3gd3 h VAL 355 CO 0.00 0.34 -0.49 0.11 0.02 0.00 0.00 177.57 177.55 3gd3 h LYS 356 N 0.37 0.00 0.09 1.57 1.57 -1.44 -2.74 116.57 116.00 3gd3 h LYS 356 Ca 0.07 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.58 3gd3 h LYS 356 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.85 3gd3 h LYS 356 CO 0.03 0.49 -1.16 -0.09 -0.57 0.00 0.00 179.45 178.16 3gd3 h ARG 357 N 0.00 0.44 0.00 3.15 9.65 -1.39 -3.29 114.38 122.95 3gd3 h ARG 357 Ca -0.00 -0.60 0.00 0.00 -1.10 0.00 0.00 59.98 58.28 3gd3 h ARG 357 Cb 0.91 0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3gd3 h ARG 357 CO 0.06 1.24 0.00 0.93 2.80 0.00 0.00 179.97 185.01 3gd3 h GLU 358 N 0.19 0.00 0.00 0.20 4.39 -1.14 -3.46 114.58 114.77 3gd3 h GLU 358 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3gd3 h GLU 358 Cb 1.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 3gd3 h GLU 358 CO 0.21 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.47 3gd3 n GLY 359 N 0.40 1.44 2.87 -3.84 0.00 -1.24 -4.56 105.19 100.26 3gd3 n GLY 359 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 0.76 0.24 1.61 1.01 -1.03 -4.60 120.40 116.40 3gd3 s VAL 360 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3gd3 s VAL 360 Cb 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.46 3gd3 s VAL 360 CO 0.00 0.31 1.47 -0.75 0.00 0.00 0.00 175.10 176.13 3gd3 s LYS 361 N 1.61 4.25 -0.14 2.72 2.20 -0.76 -3.81 119.74 125.81 3gd3 s LYS 361 Ca 0.01 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 3gd3 s LYS 361 Cb -0.13 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3gd3 s LYS 361 CO -0.05 -0.46 -0.14 0.08 -0.36 0.00 0.00 175.35 174.41 3gd3 s VAL 362 N 0.12 2.86 -0.32 4.02 1.01 -1.26 -2.03 120.40 124.81 3gd3 s VAL 362 Ca 0.61 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3gd3 s VAL 362 Cb -0.43 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 33.85 3gd3 s VAL 362 CO 0.42 0.52 0.05 -0.04 0.00 0.00 0.00 175.10 176.06 3gd3 s MET 363 N 0.50 1.27 0.80 2.72 -1.94 -0.14 -4.97 119.30 117.54 3gd3 s MET 363 Ca -0.10 -1.51 -0.12 0.00 -1.71 0.00 0.00 55.69 52.26 3gd3 s MET 363 Cb -0.16 -2.74 0.07 0.00 2.01 0.00 0.00 34.83 34.02 3gd3 s MET 363 CO 0.04 -0.91 1.17 -1.25 -0.01 0.00 0.00 175.02 174.07 3gd3 s PRO 364 N 1.19 2.04 -0.02 2.03 0.05 -1.26 -3.46 135.00 135.57 3gd3 s PRO 364 Ca 0.08 0.14 -0.02 0.00 0.05 0.00 0.00 61.00 61.26 3gd3 s PRO 364 Cb -0.18 -1.96 0.00 0.00 0.05 0.00 0.00 34.50 32.41 3gd3 s PRO 364 CO -0.13 -1.55 0.03 0.27 0.05 0.00 0.00 177.00 175.66 3gd3 n ASN 365 N -3.29 -0.38 -3.37 6.66 0.23 0.10 -4.82 115.26 110.39 3gd3 n ASN 365 Ca 0.08 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.99 3gd3 n ASN 365 Cb 0.61 -0.10 -0.09 0.00 -2.08 0.00 0.00 39.78 38.12 3gd3 n ASN 365 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gd3 s ALA 366 N -0.08 -0.73 0.09 -2.53 0.00 -1.20 -4.92 121.76 112.38 3gd3 s ALA 366 Ca 0.02 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 3gd3 s ALA 366 Cb -0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 21.22 3gd3 s ALA 366 CO 0.04 -1.64 1.14 0.42 0.00 0.00 0.00 175.76 175.71 3gd3 s ILE 367 N 2.43 4.09 0.24 0.00 1.01 -1.26 -4.65 121.20 123.06 3gd3 s ILE 367 Ca 0.10 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 62.04 3gd3 s ILE 367 Cb -0.14 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 3gd3 s ILE 367 CO -0.29 0.17 1.19 -0.69 0.00 0.00 0.00 174.94 175.32 3gd3 s VAL 368 N 0.64 3.38 -0.06 2.92 1.01 -1.26 -0.29 120.40 126.73 3gd3 s VAL 368 Ca 0.55 1.26 -0.04 0.00 0.00 0.00 0.00 61.98 63.74 3gd3 s VAL 368 Cb -0.28 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3gd3 s VAL 368 CO 0.31 0.25 -0.09 1.67 0.00 0.00 0.00 175.10 177.24 3gd3 n GLN 369 N 1.82 0.18 -4.01 2.72 7.27 0.16 -4.83 117.38 120.69 3gd3 n GLN 369 Ca 0.02 0.28 -0.09 0.00 0.07 0.00 0.00 57.00 57.27 3gd3 n GLN 369 Cb 0.44 -1.04 -0.08 0.00 2.41 0.00 0.00 30.24 31.97 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 -4.46 0.14 -0.01 1.69 1.04 -1.17 -4.75 113.70 106.18 3gd3 s SER 370 Ca -0.07 -0.95 0.05 0.00 0.48 0.00 0.00 55.95 55.46 3gd3 s SER 370 Cb 0.01 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 3gd3 s SER 370 CO 0.11 -0.82 -0.15 -0.69 0.98 0.00 0.00 173.24 172.67 3gd3 s VAL 371 N -3.98 1.18 0.34 5.02 1.01 -1.26 -2.01 120.40 120.71 3gd3 s VAL 371 Ca 0.17 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 3gd3 s VAL 371 Cb 0.05 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.47 3gd3 s VAL 371 CO -0.01 0.32 0.69 -0.83 0.00 0.00 0.00 175.10 175.27 3gd3 s GLY 372 N -0.38 0.47 -0.18 4.51 0.00 -0.66 -4.73 107.32 106.36 3gd3 s GLY 372 Ca 0.06 -0.80 -0.13 0.00 0.00 0.00 0.00 44.72 43.85 3gd3 s GLY 372 CO -0.00 -0.41 0.27 0.14 0.00 0.00 0.00 173.10 173.09 3gd3 s VAL 373 N -2.95 5.31 -0.10 1.40 1.01 -1.26 -0.58 120.40 123.23 3gd3 s VAL 373 Ca 0.18 0.48 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 3gd3 s VAL 373 Cb -0.04 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.79 3gd3 s VAL 373 CO 0.12 0.37 0.17 -0.55 0.00 0.00 0.00 175.10 175.22 3gd3 s SER 374 N 0.59 0.81 -1.32 3.32 0.15 -0.99 -4.82 113.70 111.45 3gd3 s SER 374 Ca 0.15 0.29 -0.04 0.00 0.70 0.00 0.00 55.95 57.05 3gd3 s SER 374 Cb -0.13 0.32 0.02 0.00 -1.71 0.00 0.00 66.02 64.51 3gd3 s SER 374 CO 0.03 -0.25 0.92 0.61 1.20 0.00 0.00 173.24 175.75 3gd3 n GLY 375 N 5.33 -0.38 3.68 9.45 0.00 -1.26 -1.33 105.19 120.67 3gd3 n GLY 375 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.53 2.00 0.00 -0.02 0.00 -1.26 -4.94 105.19 99.45 3gd3 n GLY 376 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3gd3 n GLY 376 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gd3 n ARG 377 N -1.99 3.90 -4.76 1.61 1.74 -0.44 -5.06 116.66 111.66 3gd3 n ARG 377 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 3gd3 n ARG 377 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 3gd3 n ARG 377 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gd3 s LEU 378 N 0.00 1.85 -0.16 0.55 1.43 0.13 -2.34 118.68 120.13 3gd3 s LEU 378 Ca 0.00 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3gd3 s LEU 378 Cb 0.00 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 3gd3 s LEU 378 CO 0.00 0.12 -0.12 -0.22 0.23 0.00 0.00 176.35 176.35 3gd3 s LEU 379 N 0.22 2.62 -0.13 1.79 0.20 0.25 -1.67 118.68 121.97 3gd3 s LEU 379 Ca -0.07 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.34 3gd3 s LEU 379 Cb -0.13 -1.61 -0.00 0.00 -0.43 0.00 0.00 46.19 44.02 3gd3 s LEU 379 CO 0.03 0.08 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.35 3gd3 s ILE 380 N 0.86 2.50 -0.10 6.68 1.01 -0.41 -1.64 121.20 130.10 3gd3 s ILE 380 Ca -0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 3gd3 s ILE 380 Cb -0.15 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3gd3 s ILE 380 CO -0.00 0.54 0.10 -0.54 0.00 0.00 0.00 174.94 175.04 3gd3 s LYS 381 N 0.53 3.30 0.00 2.79 1.02 -0.85 -1.97 119.74 124.55 3gd3 s LYS 381 Ca -0.12 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.65 3gd3 s LYS 381 Cb -0.16 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 3gd3 s LYS 381 CO 0.04 0.75 0.00 1.28 -0.92 0.00 0.00 175.35 176.50 3gd3 n LEU 382 N 1.94 0.00 0.09 3.17 4.77 -1.26 0.37 117.00 126.09 3gd3 n LEU 382 Ca -0.19 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.65 3gd3 n LEU 382 Cb 0.54 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.50 3gd3 n LEU 382 CO 0.31 -0.16 -0.03 0.50 -1.33 0.00 0.00 177.39 176.69 3gd3 h LYS 383 N 0.00 0.22 0.00 3.23 3.64 -0.97 -3.33 116.57 119.36 3gd3 h LYS 383 Ca 0.00 -0.37 -0.16 0.00 -1.27 0.00 0.00 60.65 58.84 3gd3 h LYS 383 Cb 0.00 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3gd3 h LYS 383 CO 0.00 1.17 -0.78 0.38 -2.27 0.00 0.00 179.45 177.96 3gd3 h ASP 384 N 0.06 0.00 0.00 4.20 3.04 -1.93 -3.48 116.42 118.31 3gd3 h ASP 384 Ca -0.12 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.67 3gd3 h ASP 384 Cb 1.94 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.23 3gd3 h ASP 384 CO 0.19 0.78 0.00 0.61 -2.04 0.00 0.00 179.24 178.77 3gd3 n GLY 385 N 0.72 0.73 3.75 7.15 0.00 -1.25 -5.10 105.19 111.20 3gd3 n GLY 385 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3gd3 n GLY 385 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gd3 s ARG 386 N -0.67 2.59 -0.93 1.61 0.52 -1.26 -4.76 118.95 116.04 3gd3 s ARG 386 Ca 0.00 1.56 -0.17 0.00 -0.52 0.00 0.00 55.73 56.60 3gd3 s ARG 386 Cb 0.00 -1.91 0.16 0.00 0.52 0.00 0.00 34.95 33.72 3gd3 s ARG 386 CO 0.00 -1.45 1.07 -1.59 0.02 0.00 0.00 175.30 173.36 3gd3 s LYS 387 N -3.94 3.65 -0.79 3.54 -2.85 -1.26 -4.03 119.74 114.06 3gd3 s LYS 387 Ca 0.71 -2.01 -0.26 0.00 -1.00 0.00 0.00 55.97 53.41 3gd3 s LYS 387 Cb -0.24 -4.82 0.02 0.00 -2.06 0.00 0.00 37.83 30.73 3gd3 s LYS 387 CO 0.42 -1.66 1.51 0.08 0.10 0.00 0.00 175.35 175.80 3gd3 s VAL 388 N 1.97 3.66 -0.18 1.79 1.01 -0.83 -4.93 120.40 122.88 3gd3 s VAL 388 Ca 0.30 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 3gd3 s VAL 388 Cb -0.06 -4.64 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 3gd3 s VAL 388 CO -0.09 -1.57 0.26 -0.70 0.00 0.00 0.00 175.10 173.00 3gd3 s GLU 389 N 5.99 4.22 0.22 2.72 2.12 -1.26 -1.28 118.70 131.43 3gd3 s GLU 389 Ca 0.48 0.02 -0.17 0.00 0.36 0.00 0.00 54.97 55.65 3gd3 s GLU 389 Cb -0.07 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.89 3gd3 s GLU 389 CO 0.09 0.20 0.55 -0.08 -0.54 0.00 0.00 175.26 175.48 3gd3 s THR 390 N 0.60 0.02 -0.18 -1.70 -1.32 -0.67 -4.98 115.64 107.41 3gd3 s THR 390 Ca 0.14 -0.90 0.17 0.00 -1.21 0.00 0.00 61.69 59.90 3gd3 s THR 390 Cb -0.13 -1.73 -0.24 0.00 -1.51 0.00 0.00 72.50 68.89 3gd3 s THR 390 CO 0.03 -0.08 0.09 0.47 -2.21 0.00 0.00 174.62 172.92 3gd3 n ASP 391 N -0.37 0.23 -3.88 8.08 9.92 -0.41 0.17 116.55 130.30 3gd3 n ASP 391 Ca -0.08 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.09 3gd3 n ASP 391 Cb 0.62 1.04 -0.08 0.00 -0.64 0.00 0.00 41.12 42.06 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 -2.53 0.14 -0.04 1.24 2.46 -0.88 -4.67 115.29 111.02 3gd3 s HIS 392 Ca -0.09 -0.47 0.04 0.00 0.47 0.00 0.00 55.06 55.01 3gd3 s HIS 392 Cb 0.06 -0.08 -0.01 0.00 -0.13 0.00 0.00 32.58 32.43 3gd3 s HIS 392 CO 0.80 -0.46 -0.17 0.42 -2.47 0.00 0.00 174.74 172.85 3gd3 s ILE 393 N -3.17 1.39 -0.08 0.89 1.01 -0.04 -2.79 121.20 118.41 3gd3 s ILE 393 Ca -0.00 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3gd3 s ILE 393 Cb 0.02 -1.19 0.02 0.00 0.01 0.00 0.00 42.46 41.32 3gd3 s ILE 393 CO -0.07 0.40 -0.09 -0.69 0.00 0.00 0.00 174.94 174.49 3gd3 s VAL 394 N -0.05 0.97 -0.09 2.92 1.01 -0.33 -0.44 120.40 124.39 3gd3 s VAL 394 Ca -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3gd3 s VAL 394 Cb -0.10 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3gd3 s VAL 394 CO 0.01 0.34 -0.02 0.42 0.00 0.00 0.00 175.10 175.85 3gd3 s THR 395 N 1.17 4.11 -0.43 3.92 -4.23 -1.14 -1.25 115.64 117.79 3gd3 s THR 395 Ca -0.05 -0.32 0.04 0.00 -1.18 0.00 0.00 61.69 60.18 3gd3 s THR 395 Cb -0.14 -2.73 0.17 0.00 1.34 0.00 0.00 72.50 71.14 3gd3 s THR 395 CO -0.02 0.59 0.44 0.00 -0.54 0.00 0.00 174.62 175.08 3gd3 s ALA 396 N -0.66 0.22 -0.20 3.99 0.00 -0.93 -3.82 121.76 120.36 3gd3 s ALA 396 Ca 0.10 -1.70 0.14 0.00 0.00 0.00 0.00 51.96 50.51 3gd3 s ALA 396 Cb -0.12 -1.94 0.44 0.00 0.00 0.00 0.00 23.12 21.50 3gd3 s ALA 396 CO 0.02 -2.07 1.19 1.33 0.00 0.00 0.00 175.76 176.23 3gd3 n VAL 397 N 3.13 1.78 -1.60 0.00 0.24 -1.26 -4.19 118.33 116.43 3gd3 n VAL 397 Ca 0.23 -3.04 0.00 0.00 -2.04 0.00 0.00 64.34 59.49 3gd3 n VAL 397 Cb 0.49 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 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 -0.66 -1.82 2.71 7.63 0.00 -1.26 -4.80 105.19 106.99 3gd3 n GLY 398 Ca 0.22 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 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 0.30 -0.46 0.99 2.96 -1.26 -2.87 118.68 118.33 3gd3 s LEU 399 Ca 0.00 0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 53.72 3gd3 s LEU 399 Cb 0.00 -0.25 0.03 0.00 0.50 0.00 0.00 46.19 46.48 3gd3 s LEU 399 CO 0.00 -0.23 0.69 -0.70 -1.32 0.00 0.00 176.35 174.78 3gd3 s GLU 400 N 2.10 3.26 0.23 1.98 2.56 0.60 -4.87 118.70 124.57 3gd3 s GLU 400 Ca 0.05 -0.44 -0.31 0.00 0.00 0.00 0.00 54.97 54.27 3gd3 s GLU 400 Cb -0.12 -3.99 -0.14 0.00 2.00 0.00 0.00 34.13 31.88 3gd3 s GLU 400 CO -0.04 -1.11 1.30 -2.30 -0.56 0.00 0.00 175.26 172.55 3gd3 n PRO 401 N 6.42 1.76 -2.31 4.30 -0.02 -1.26 -2.23 135.00 141.66 3gd3 n PRO 401 Ca -0.02 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 3gd3 n PRO 401 Cb 0.47 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 3gd3 n PRO 401 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3gd3 s ASN 402 N 0.10 6.83 -0.00 2.55 -0.87 -0.90 -4.83 114.94 117.81 3gd3 s ASN 402 Ca 0.68 1.77 0.00 0.00 -1.57 0.00 0.00 52.86 53.74 3gd3 s ASN 402 Cb -0.70 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.00 3gd3 s ASN 402 CO 0.52 -0.85 0.65 1.33 -2.57 0.00 0.00 177.10 176.17 3gd3 n VAL 403 N 5.53 0.08 -0.30 1.60 0.24 -1.26 -4.79 118.33 119.43 3gd3 n VAL 403 Ca 0.15 -0.09 0.18 0.00 -2.04 0.00 0.00 64.34 62.54 3gd3 n VAL 403 Cb 0.45 0.84 0.45 0.00 -1.47 0.00 0.00 33.84 34.11 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 0.00 0.51 -0.33 7.34 5.08 -2.00 0.16 114.58 125.34 3gd3 h GLU 404 Ca 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3gd3 h GLU 404 Cb 1.06 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3gd3 h GLU 404 CO 0.00 0.34 0.05 -0.07 -1.00 0.00 0.00 179.01 178.33 3gd3 h LEU 405 N 0.53 0.44 -1.34 1.33 3.38 -1.93 -2.37 115.31 115.35 3gd3 h LEU 405 Ca 0.53 -0.06 0.31 0.00 0.09 0.00 0.00 57.88 58.75 3gd3 h LEU 405 Cb 1.15 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 3gd3 h LEU 405 CO -0.27 0.47 0.70 0.00 0.09 0.00 0.00 178.44 179.44 3gd3 h ALA 406 N 1.59 2.32 0.25 1.53 0.00 -1.00 0.32 119.26 124.27 3gd3 h ALA 406 Ca 0.11 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3gd3 h ALA 406 Cb 0.23 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gd3 h ALA 406 CO 0.00 -0.80 -0.17 -0.22 0.00 0.00 0.00 179.25 178.06 3gd3 h LYS 407 N 0.32 -0.38 -0.38 0.00 1.63 -1.52 -2.47 116.57 113.77 3gd3 h LYS 407 Ca 0.66 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.41 3gd3 h LYS 407 Cb 1.77 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 33.47 3gd3 h LYS 407 CO -0.35 -0.25 -0.07 1.79 -3.45 0.00 0.00 179.45 177.11 3gd3 h THR 408 N -0.40 1.24 -0.23 1.00 1.35 -1.52 -3.10 112.91 111.25 3gd3 h THR 408 Ca -0.03 -1.02 -0.04 0.00 -0.55 0.00 0.00 66.41 64.78 3gd3 h THR 408 Cb 0.32 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 3gd3 h THR 408 CO 0.02 0.34 -0.01 1.23 -0.25 0.00 0.00 175.52 176.85 3gd3 h GLY 409 N 0.94 0.37 0.00 5.82 0.00 -0.42 -3.45 103.07 106.33 3gd3 h GLY 409 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3gd3 h GLY 409 CO 0.03 0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.36 3gd3 n GLY 410 N -1.05 0.59 3.83 4.60 0.00 -0.94 -4.47 105.19 107.76 3gd3 n GLY 410 Ca 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 4.04 0.12 0.99 1.43 -1.11 -5.06 118.68 119.09 3gd3 s LEU 411 Ca 0.00 1.46 -0.17 0.00 -1.03 0.00 0.00 54.13 54.39 3gd3 s LEU 411 Cb 0.00 -4.23 -0.07 0.00 0.03 0.00 0.00 46.19 41.92 3gd3 s LEU 411 CO 0.00 -0.25 0.57 -0.70 0.23 0.00 0.00 176.35 176.20 3gd3 s GLU 412 N -2.99 4.08 0.26 1.70 2.12 -1.26 -4.71 118.70 117.91 3gd3 s GLU 412 Ca 0.56 0.62 0.07 0.00 0.36 0.00 0.00 54.97 56.58 3gd3 s GLU 412 Cb -0.10 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 3gd3 s GLU 412 CO 0.16 0.53 0.26 0.42 -0.54 0.00 0.00 175.26 176.09 3gd3 s ILE 413 N -1.33 4.59 -0.30 -3.70 1.01 -1.26 -2.54 121.20 117.67 3gd3 s ILE 413 Ca 0.35 -1.28 -0.16 0.00 0.00 0.00 0.00 60.65 59.56 3gd3 s ILE 413 Cb -0.17 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 3gd3 s ILE 413 CO 0.19 -0.33 0.41 -0.62 0.00 0.00 0.00 174.94 174.59 3gd3 s ASP 414 N -3.90 6.26 0.40 3.58 -1.08 -1.01 -4.78 116.67 116.14 3gd3 s ASP 414 Ca 0.34 0.14 0.28 0.00 -0.52 0.00 0.00 52.55 52.78 3gd3 s ASP 414 Cb -0.08 -2.22 0.96 0.00 -1.46 0.00 0.00 42.92 40.11 3gd3 s ASP 414 CO 0.26 -0.28 1.80 0.77 0.52 0.00 0.00 175.17 178.25 3gd3 h SER 415 N 8.28 0.00 0.14 -0.34 4.64 -1.95 1.49 113.55 125.81 3gd3 h SER 415 Ca -0.30 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.66 3gd3 h SER 415 Cb 1.15 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.19 3gd3 h SER 415 CO 0.68 0.00 -2.14 0.47 -0.87 0.00 0.00 176.83 174.98 3gd3 n ASP 416 N -2.76 1.54 -0.02 4.97 10.43 -1.26 -4.61 116.55 124.84 3gd3 n ASP 416 Ca 0.03 0.12 -0.01 0.00 2.57 0.00 0.00 54.79 57.50 3gd3 n ASP 416 Cb 0.36 -0.31 -0.04 0.00 1.84 0.00 0.00 41.12 42.97 3gd3 n ASP 416 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3gd3 n PHE 417 N -3.23 0.00 -0.13 1.24 3.72 -1.23 -5.13 117.46 112.70 3gd3 n PHE 417 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 3gd3 n PHE 417 Cb 1.05 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 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 2.54 -3.27 0.00 1.37 0.00 0.51 -4.97 105.19 101.37 3gd3 n GLY 418 Ca -0.05 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.72 0.79 3.55 -0.02 0.00 -1.26 -4.74 105.19 102.78 3gd3 n GLY 419 Ca 0.00 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.02 3.20 -0.17 1.61 0.40 0.21 -2.40 117.98 118.80 3gd3 s PHE 420 Ca 0.00 0.04 -0.29 0.00 -0.60 0.00 0.00 56.93 56.07 3gd3 s PHE 420 Cb 0.00 -2.77 -0.02 0.00 0.51 0.00 0.00 43.02 40.74 3gd3 s PHE 420 CO 0.00 -0.48 1.39 0.50 0.70 0.00 0.00 175.22 177.33 3gd3 s ARG 421 N 2.16 4.11 0.16 0.44 3.52 -1.05 -1.44 118.95 126.85 3gd3 s ARG 421 Ca 0.14 1.69 0.02 0.00 -0.13 0.00 0.00 55.73 57.45 3gd3 s ARG 421 Cb -0.16 -3.86 -0.05 0.00 -1.56 0.00 0.00 34.95 29.32 3gd3 s ARG 421 CO 0.12 -0.88 -0.01 0.14 -0.81 0.00 0.00 175.30 173.87 3gd3 s VAL 422 N 3.97 0.68 0.00 7.11 -7.23 -0.20 -4.73 120.40 120.00 3gd3 s VAL 422 Ca 0.61 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 3gd3 s VAL 422 Cb -0.23 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.64 3gd3 s VAL 422 CO 0.21 -0.52 0.00 -0.46 -0.31 0.00 0.00 175.10 174.01 3gd3 n ASN 423 N -0.22 -0.33 0.17 4.85 6.94 -1.13 -3.53 115.26 122.01 3gd3 n ASN 423 Ca -0.07 -0.70 0.13 0.00 -0.02 0.00 0.00 54.58 53.91 3gd3 n ASN 423 Cb 0.63 0.00 0.57 0.00 -2.36 0.00 0.00 39.78 38.62 3gd3 n ASN 423 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gd3 h ALA 424 N -2.00 1.00 -0.09 -2.53 0.00 -1.92 -0.77 119.26 112.95 3gd3 h ALA 424 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gd3 h ALA 424 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gd3 h ALA 424 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 3gd3 n GLU 425 N -2.40 2.21 -1.13 0.00 1.02 -1.26 -1.17 120.64 117.91 3gd3 n GLU 425 Ca 0.01 -1.77 -0.05 0.00 -0.02 0.00 0.00 57.16 55.34 3gd3 n GLU 425 Cb 0.20 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.11 -0.02 -4.76 -4.62 4.77 -0.29 -4.87 117.00 108.32 3gd3 n LEU 426 Ca 0.16 0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.87 3gd3 n LEU 426 Cb 0.54 -1.63 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 3gd3 n LEU 426 CO 0.15 -0.54 0.22 -1.58 -1.33 0.00 0.00 177.39 174.30 3gd3 s GLN 427 N -1.82 4.26 -0.17 3.23 0.74 -1.26 -0.44 119.66 124.20 3gd3 s GLN 427 Ca 0.00 0.57 -0.13 0.00 0.05 0.00 0.00 55.36 55.85 3gd3 s GLN 427 Cb 0.00 -3.36 -0.07 0.00 1.10 0.00 0.00 33.01 30.68 3gd3 s GLN 427 CO 0.00 0.33 -0.13 0.00 -0.55 0.00 0.00 175.29 174.95 3gd3 n ALA 428 N 2.96 0.62 -2.35 1.58 0.00 0.12 -2.83 120.51 120.61 3gd3 n ALA 428 Ca -0.08 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.64 3gd3 n ALA 428 Cb 0.51 -0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.37 1.59 0.21 0.00 1.81 -1.19 -4.97 118.95 114.04 3gd3 s ARG 429 Ca -0.21 -1.91 -0.32 0.00 -1.72 0.00 0.00 55.73 51.57 3gd3 s ARG 429 Cb 0.04 -0.18 -0.12 0.00 -0.45 0.00 0.00 34.95 34.23 3gd3 s ARG 429 CO 0.34 -0.42 1.69 -1.13 -0.68 0.00 0.00 175.30 175.10 3gd3 n SER 430 N -0.88 3.87 -0.04 0.23 3.41 -1.26 -0.52 113.62 118.43 3gd3 n SER 430 Ca 0.00 1.07 -0.00 0.00 -0.26 0.00 0.00 58.87 59.68 3gd3 n SER 430 Cb 0.65 -1.56 -0.00 0.00 -0.26 0.00 0.00 64.21 63.04 3gd3 n SER 430 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gd3 n ASN 431 N 3.72 -3.93 -3.78 4.04 3.02 -1.26 -5.03 115.26 112.04 3gd3 n ASN 431 Ca 0.15 0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 54.51 3gd3 n ASN 431 Cb 0.34 -1.47 -0.17 0.00 -0.61 0.00 0.00 39.78 37.87 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 -1.73 0.23 0.30 2.41 -1.09 0.32 -1.75 121.20 119.90 3gd3 s ILE 432 Ca 0.00 0.15 0.10 0.00 -2.23 0.00 0.00 60.65 58.67 3gd3 s ILE 432 Cb 0.00 -0.38 -0.05 0.00 -1.58 0.00 0.00 42.46 40.45 3gd3 s ILE 432 CO 0.00 0.20 -0.04 0.26 -1.23 0.00 0.00 174.94 174.13 3gd3 s TRP 433 N 1.61 2.53 -0.01 3.97 0.51 -0.69 0.10 118.94 126.95 3gd3 s TRP 433 Ca -0.01 -0.35 0.03 0.00 -2.12 0.00 0.00 56.10 53.65 3gd3 s TRP 433 Cb -0.13 -1.28 -0.01 0.00 -0.81 0.00 0.00 33.47 31.25 3gd3 s TRP 433 CO -0.03 0.58 -0.11 0.08 -0.51 0.00 0.00 176.95 176.96 3gd3 s VAL 434 N -2.46 0.91 0.14 4.03 1.01 0.42 -1.50 120.40 122.95 3gd3 s VAL 434 Ca 0.33 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3gd3 s VAL 434 Cb -0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3gd3 s VAL 434 CO 0.18 0.26 0.08 0.00 0.00 0.00 0.00 175.10 175.62 3gd3 n ALA 435 N 2.91 0.24 -0.92 5.51 0.00 -1.13 -4.79 120.51 122.33 3gd3 n ALA 435 Ca -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3gd3 n ALA 435 Cb 0.55 0.55 0.00 0.00 0.00 0.00 0.00 19.45 20.55 3gd3 n ALA 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gd3 n GLY 436 N 0.57 3.66 0.04 0.00 0.00 -1.26 -3.92 105.19 104.28 3gd3 n GLY 436 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 6.42 0.22 -1.54 1.61 10.43 -1.26 -3.85 116.55 128.58 3gd3 n ASP 437 Ca 0.00 0.09 0.06 0.00 2.57 0.00 0.00 54.79 57.50 3gd3 n ASP 437 Cb 0.00 1.59 0.31 0.00 1.84 0.00 0.00 41.12 44.86 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 -2.24 3.49 -3.47 2.24 0.00 -1.25 -4.76 120.51 114.52 3gd3 n ALA 438 Ca -0.03 -1.44 -0.41 0.00 0.00 0.00 0.00 53.44 51.55 3gd3 n ALA 438 Cb 0.57 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.28 4.44 -0.55 0.00 0.00 -1.25 0.68 121.76 122.79 3gd3 s ALA 439 Ca 0.42 -3.77 -0.28 0.00 0.00 0.00 0.00 51.96 48.33 3gd3 s ALA 439 Cb 0.31 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 20.21 3gd3 s ALA 439 CO 0.13 -2.18 1.49 0.00 0.00 0.00 0.00 175.76 175.20 3gd3 n PHE 441 N 10.00 -2.07 -4.01 0.00 1.16 -0.66 -1.03 117.46 120.85 3gd3 n PHE 441 Ca 0.14 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.52 3gd3 n PHE 441 Cb 0.49 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.20 3gd3 n PHE 441 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 3gd3 s TYR 442 N 0.39 0.60 -0.11 2.97 5.04 -1.23 -2.04 117.35 122.98 3gd3 s TYR 442 Ca 0.00 -0.14 -0.01 0.00 -2.44 0.00 0.00 57.07 54.48 3gd3 s TYR 442 Cb 0.00 -0.62 -0.03 0.00 0.35 0.00 0.00 41.96 41.66 3gd3 s TYR 442 CO 0.00 -0.21 -0.07 0.34 -1.34 0.00 0.00 175.55 174.27 3gd3 s ASP 443 N 1.19 4.56 0.47 4.32 2.15 -1.16 -3.53 116.67 124.67 3gd3 s ASP 443 Ca -0.07 -0.12 0.16 0.00 0.43 0.00 0.00 52.55 52.95 3gd3 s ASP 443 Cb -0.14 -1.46 1.14 0.00 -0.30 0.00 0.00 42.92 42.16 3gd3 s ASP 443 CO -0.02 0.26 2.00 0.40 -0.17 0.00 0.00 175.17 177.65 3gd3 h ILE 444 N 4.78 0.88 0.00 4.11 2.04 -1.90 -1.80 117.51 125.62 3gd3 h ILE 444 Ca -0.38 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 3gd3 h ILE 444 Cb 1.19 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3gd3 h ILE 444 CO 0.57 0.05 -0.23 0.11 0.00 0.00 0.00 178.15 178.65 3gd3 h LYS 445 N 0.27 0.00 -0.00 2.37 1.79 -1.95 -3.42 116.57 115.63 3gd3 h LYS 445 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 3gd3 h LYS 445 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3gd3 h LYS 445 CO -0.05 0.78 -0.60 1.28 -1.08 0.00 0.00 179.45 179.78 3gd3 n LEU 446 N -4.61 0.90 0.00 2.94 4.77 -1.20 -5.11 117.00 114.68 3gd3 n LEU 446 Ca -0.12 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3gd3 n LEU 446 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3gd3 n LEU 446 CO 0.24 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3gd3 n GLY 447 N 1.29 -3.11 3.67 -0.72 0.00 -0.68 -4.92 105.19 100.71 3gd3 n GLY 447 Ca 0.04 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3gd3 n GLY 447 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gd3 s ARG 448 N -0.73 4.15 0.33 1.61 3.52 -1.26 -2.98 118.95 123.59 3gd3 s ARG 448 Ca 0.00 2.54 0.05 0.00 -0.13 0.00 0.00 55.73 58.19 3gd3 s ARG 448 Cb 0.00 -4.04 -0.02 0.00 -1.56 0.00 0.00 34.95 29.33 3gd3 s ARG 448 CO 0.00 -0.92 0.18 0.54 -0.81 0.00 0.00 175.30 174.29 3gd3 n ARG 449 N 7.16 0.51 -3.72 5.12 1.74 -0.87 -4.99 116.66 121.62 3gd3 n ARG 449 Ca 0.19 -2.99 -0.14 0.00 -0.77 0.00 0.00 57.85 54.15 3gd3 n ARG 449 Cb 0.41 1.95 -0.09 0.00 -1.02 0.00 0.00 32.46 33.71 3gd3 n ARG 449 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gd3 s ARG 450 N -3.30 0.59 -0.06 5.56 3.52 -1.26 -1.65 118.95 122.36 3gd3 s ARG 450 Ca 0.25 0.34 -0.02 0.00 -0.13 0.00 0.00 55.73 56.17 3gd3 s ARG 450 Cb 0.01 0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.71 3gd3 s ARG 450 CO 0.18 -0.12 0.04 0.08 -0.81 0.00 0.00 175.30 174.67 3gd3 s VAL 451 N -0.34 0.06 -1.01 7.11 1.01 -1.26 -5.07 120.40 120.91 3gd3 s VAL 451 Ca -0.05 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 3gd3 s VAL 451 Cb -0.03 -0.31 0.27 0.00 0.00 0.00 0.00 36.38 36.31 3gd3 s VAL 451 CO 0.02 0.19 1.12 -0.62 0.00 0.00 0.00 175.10 175.81 3gd3 n GLU 452 N 5.24 3.53 -4.34 2.72 1.02 -1.26 -4.45 120.64 123.11 3gd3 n GLU 452 Ca -0.05 -4.51 -0.19 0.00 -0.02 0.00 0.00 57.16 52.39 3gd3 n GLU 452 Cb 0.50 -2.48 -0.10 0.00 -0.02 0.00 0.00 31.44 29.34 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 -1.89 1.71 -0.03 -0.32 3.76 -1.26 -5.02 115.29 112.24 3gd3 s HIS 453 Ca 0.31 -0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 54.46 3gd3 s HIS 453 Cb -0.03 -0.80 -0.12 0.00 1.11 0.00 0.00 32.58 32.75 3gd3 s HIS 453 CO -0.03 0.36 0.80 1.25 -0.85 0.00 0.00 174.74 176.27 3gd3 h HIS 454 N 2.59 -0.42 -0.78 1.40 2.76 -1.95 -3.08 115.15 115.67 3gd3 h HIS 454 Ca -0.38 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 57.95 3gd3 h HIS 454 Cb 1.22 0.14 -0.14 0.00 1.55 0.00 0.00 27.41 30.17 3gd3 h HIS 454 CO 0.72 -0.12 -0.10 0.22 -1.30 0.00 0.00 177.93 177.35 3gd3 h ASP 455 N -1.02 -0.56 -0.17 3.26 3.58 -1.95 -0.18 116.42 119.39 3gd3 h ASP 455 Ca -0.05 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.63 3gd3 h ASP 455 Cb 0.48 0.43 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 3gd3 h ASP 455 CO 0.08 -0.23 0.11 -0.74 -2.88 0.00 0.00 179.24 175.57 3gd3 h HIS 456 N 0.04 0.22 -0.39 0.28 2.76 -1.84 -1.37 115.15 114.84 3gd3 h HIS 456 Ca 0.40 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.69 3gd3 h HIS 456 Cb 0.68 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 3gd3 h HIS 456 CO -0.53 0.16 0.40 0.00 -1.30 0.00 0.00 177.93 176.65 3gd3 h ALA 457 N 1.04 2.10 0.06 5.26 0.00 -0.97 0.58 119.26 127.33 3gd3 h ALA 457 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gd3 h ALA 457 Cb -0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gd3 h ALA 457 CO -0.01 -0.60 -0.03 0.28 0.00 0.00 0.00 179.25 178.89 3gd3 h VAL 458 N 0.00 0.38 0.00 0.00 2.07 -0.52 -3.08 116.25 115.10 3gd3 h VAL 458 Ca 0.18 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 3gd3 h VAL 458 Cb 0.98 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3gd3 h VAL 458 CO -0.00 0.12 -0.37 0.58 0.02 0.00 0.00 177.57 177.92 3gd3 h VAL 459 N -1.01 0.91 -0.04 2.57 2.07 -0.46 0.10 116.25 120.40 3gd3 h VAL 459 Ca -0.01 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 3gd3 h VAL 459 Cb 0.26 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3gd3 h VAL 459 CO 0.01 0.36 -0.08 0.77 0.02 0.00 0.00 177.57 178.65 3gd3 h SER 460 N 0.00 0.15 0.14 0.57 4.64 -0.06 -2.48 113.55 116.51 3gd3 h SER 460 Ca -0.00 -0.56 0.02 0.00 -0.47 0.00 0.00 61.79 60.77 3gd3 h SER 460 Cb 0.86 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 3gd3 h SER 460 CO 0.05 0.68 -0.44 1.23 -0.87 0.00 0.00 176.83 177.48 3gd3 h GLY 461 N -0.38 -0.91 0.26 -0.77 0.00 -1.32 0.14 103.07 100.08 3gd3 h GLY 461 Ca 0.00 0.53 0.14 0.00 0.00 0.00 0.00 47.33 48.00 3gd3 h GLY 461 CO 0.02 -0.27 0.46 -0.09 0.00 0.00 0.00 176.54 176.65 3gd3 h ARG 462 N -0.69 0.64 -0.57 4.80 2.43 -0.89 0.98 114.38 121.09 3gd3 h ARG 462 Ca 0.01 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 3gd3 h ARG 462 Cb 0.70 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3gd3 h ARG 462 CO -0.24 0.42 -0.00 1.25 -1.51 0.00 0.00 179.97 179.89 3gd3 h LEU 463 N 0.66 0.99 -0.30 3.80 5.85 -1.08 -1.18 115.31 124.05 3gd3 h LEU 463 Ca 0.46 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3gd3 h LEU 463 Cb 0.63 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3gd3 h LEU 463 CO -0.35 1.06 0.10 0.00 -0.34 0.00 0.00 178.44 178.91 3gd3 h ALA 464 N 0.97 0.34 0.28 1.25 0.00 0.17 0.12 119.26 122.39 3gd3 h ALA 464 Ca 0.16 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gd3 h ALA 464 Cb 0.55 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3gd3 h ALA 464 CO 0.03 -0.31 -0.21 0.78 0.00 0.00 0.00 179.25 179.54 3gd3 h GLY 465 N 0.23 -0.51 0.14 0.00 0.00 -0.97 0.41 103.07 102.38 3gd3 h GLY 465 Ca 0.14 0.24 0.13 0.00 0.00 0.00 0.00 47.33 47.84 3gd3 h GLY 465 CO -0.15 -0.21 0.24 -2.09 0.00 0.00 0.00 176.54 174.33 3gd3 h GLU 466 N -0.49 0.36 0.00 4.80 4.81 -0.80 0.54 114.58 123.80 3gd3 h GLU 466 Ca -0.02 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3gd3 h GLU 466 Cb 0.43 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3gd3 h GLU 466 CO -0.00 0.24 -0.25 -0.91 -0.73 0.00 0.00 179.01 177.35 3gd3 h ASN 467 N 0.37 0.00 0.69 1.04 -0.26 -0.82 -2.98 115.58 113.62 3gd3 h ASN 467 Ca 0.38 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 56.08 3gd3 h ASN 467 Cb 0.59 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 3gd3 h ASN 467 CO -0.41 0.25 -0.21 0.24 -1.06 0.00 0.00 177.43 176.23 3gd3 h MET 468 N 0.00 0.00 -0.60 0.81 2.86 0.14 -0.70 114.93 117.44 3gd3 h MET 468 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gd3 h MET 468 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3gd3 h MET 468 CO 0.03 0.21 0.00 0.25 1.06 0.00 0.00 176.91 178.47 3gd3 n THR 469 N -3.52 1.21 -0.87 2.22 -2.24 -1.04 -4.95 114.28 105.08 3gd3 n THR 469 Ca -0.01 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3gd3 n THR 469 Cb 0.37 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.92 0.84 0.19 3.38 0.00 -0.27 -4.99 105.19 105.26 3gd3 n GLY 470 Ca 0.18 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 3gd3 n GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gd3 h ALA 471 N 0.00 0.57 -3.00 4.61 0.00 -1.62 -3.48 119.26 116.35 3gd3 h ALA 471 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3gd3 h ALA 471 Cb 0.29 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.03 3gd3 h ALA 471 CO 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 179.25 178.91 3gd3 n ALA 472 N -2.28 -0.59 -2.69 0.00 0.00 -1.26 -5.04 120.51 108.65 3gd3 n ALA 472 Ca 0.03 0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.16 3gd3 n ALA 472 Cb 0.09 -1.69 -0.09 0.00 0.00 0.00 0.00 19.45 17.76 3gd3 n ALA 472 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gd3 s LYS 473 N -4.94 4.14 0.00 0.00 1.02 -1.26 -5.10 119.74 113.60 3gd3 s LYS 473 Ca 0.10 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.92 3gd3 s LYS 473 Cb -0.04 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 3gd3 s LYS 473 CO 0.25 0.15 0.00 -2.30 -0.92 0.00 0.00 175.35 172.54 3gd3 n PRO 474 N 3.96 -0.58 -3.93 -1.68 -0.02 -1.26 -4.52 135.00 126.96 3gd3 n PRO 474 Ca -0.14 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.03 3gd3 n PRO 474 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.86 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 -0.88 3.26 -2.19 6.00 5.04 -0.31 -4.87 117.35 123.39 3gd3 s TYR 475 Ca 0.00 -3.11 0.20 0.00 -2.44 0.00 0.00 57.07 51.72 3gd3 s TYR 475 Cb 0.00 -2.87 0.53 0.00 0.35 0.00 0.00 41.96 39.97 3gd3 s TYR 475 CO 0.00 -0.77 1.45 0.91 -1.34 0.00 0.00 175.55 175.80 3gd3 n TRP 476 N 3.25 0.63 -3.36 4.97 7.02 -1.26 -4.70 117.44 123.99 3gd3 n TRP 476 Ca 0.05 -0.32 -0.29 0.00 -1.02 0.00 0.00 57.50 55.93 3gd3 n TRP 476 Cb 0.33 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.19 3gd3 n TRP 476 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 3gd3 s HIS 477 N -1.37 3.47 -0.17 -5.99 2.46 -1.26 -5.10 115.29 107.34 3gd3 s HIS 477 Ca 0.39 0.66 -0.01 0.00 0.47 0.00 0.00 55.06 56.57 3gd3 s HIS 477 Cb 0.21 -2.11 -0.00 0.00 -0.13 0.00 0.00 32.58 30.55 3gd3 s HIS 477 CO 0.29 0.19 -0.12 -0.65 -2.47 0.00 0.00 174.74 171.98 3gd3 s GLN 478 N -3.44 3.27 0.33 2.88 -0.21 -1.26 -5.13 119.66 116.11 3gd3 s GLN 478 Ca 0.44 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 55.12 3gd3 s GLN 478 Cb -0.11 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.15 3gd3 s GLN 478 CO 0.29 -0.02 0.52 0.45 -2.12 0.00 0.00 175.29 174.41 3gd3 s SER 479 N 0.92 6.26 -0.01 5.90 0.15 -1.26 -5.06 113.70 120.61 3gd3 s SER 479 Ca -0.03 0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.99 3gd3 s SER 479 Cb -0.15 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 3gd3 s SER 479 CO -0.01 -0.28 -0.03 0.00 1.20 0.00 0.00 173.24 174.11 3gd3 s MET 480 N -4.27 0.29 -0.05 5.44 0.23 -1.26 -4.23 119.30 115.44 3gd3 s MET 480 Ca 0.40 -0.11 -0.01 0.00 -1.03 0.00 0.00 55.69 54.94 3gd3 s MET 480 Cb -0.09 -0.29 -0.03 0.00 -1.53 0.00 0.00 34.83 32.88 3gd3 s MET 480 CO 0.35 0.05 0.02 0.12 -2.03 0.00 0.00 175.02 173.53 3gd3 s PHE 481 N 0.02 3.17 0.18 3.16 5.36 0.78 -4.33 117.98 126.33 3gd3 s PHE 481 Ca 0.00 0.18 0.02 0.00 -0.96 0.00 0.00 56.93 56.17 3gd3 s PHE 481 Cb -0.03 -1.75 -0.05 0.00 -0.34 0.00 0.00 43.02 40.86 3gd3 s PHE 481 CO -0.00 0.49 -0.00 1.67 -1.46 0.00 0.00 175.22 175.92 3gd3 s TRP 482 N -1.00 1.27 -0.18 10.12 -2.14 -1.26 0.32 118.94 126.07 3gd3 s TRP 482 Ca 0.17 -1.00 -0.12 0.00 2.66 0.00 0.00 56.10 57.81 3gd3 s TRP 482 Cb -0.11 -0.72 0.06 0.00 -3.10 0.00 0.00 33.47 29.59 3gd3 s TRP 482 CO 0.06 -0.18 0.45 0.45 -2.66 0.00 0.00 176.95 175.07 3gd3 s SER 483 N -3.19 -0.54 -0.20 -2.66 0.15 -1.21 -4.97 113.70 101.07 3gd3 s SER 483 Ca 0.24 0.95 0.01 0.00 0.70 0.00 0.00 55.95 57.86 3gd3 s SER 483 Cb 0.06 0.87 0.03 0.00 -1.71 0.00 0.00 66.02 65.27 3gd3 s SER 483 CO 0.05 -0.19 -0.17 -1.81 1.20 0.00 0.00 173.24 172.32 3gd3 s ASP 484 N 1.06 3.49 -1.17 5.45 1.01 -1.26 0.44 116.67 125.70 3gd3 s ASP 484 Ca -0.07 -0.85 -0.10 0.00 0.71 0.00 0.00 52.55 52.24 3gd3 s ASP 484 Cb -0.06 -1.50 0.23 0.00 1.01 0.00 0.00 42.92 42.60 3gd3 s ASP 484 CO -0.09 -0.05 1.35 0.18 0.21 0.00 0.00 175.17 176.77 3gd3 n LEU 485 N 4.57 5.63 0.00 1.23 4.77 0.45 -4.93 117.00 128.72 3gd3 n LEU 485 Ca -0.19 -4.81 0.00 0.00 -0.03 0.00 0.00 56.01 50.98 3gd3 n LEU 485 Cb 0.48 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3gd3 n LEU 485 CO 0.25 1.16 0.00 0.61 -1.33 0.00 0.00 177.39 178.08 3gd3 n GLY 486 N 3.06 -1.32 0.00 -0.72 0.00 -1.26 -3.53 105.19 101.42 3gd3 n GLY 486 Ca 0.31 -1.56 0.11 0.00 0.00 0.00 0.00 46.02 44.87 3gd3 n GLY 486 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gd3 n PRO 487 N -1.26 0.35 -0.00 1.61 -0.02 -1.26 -3.07 135.00 131.35 3gd3 n PRO 487 Ca 0.00 0.07 0.10 0.00 -2.02 0.00 0.00 63.50 61.65 3gd3 n PRO 487 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 31.86 3gd3 n PRO 487 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gd3 n ASP 488 N -1.26 0.83 -3.94 2.55 8.00 -1.26 -2.46 116.55 119.01 3gd3 n ASP 488 Ca 0.11 -0.81 -0.25 0.00 0.71 0.00 0.00 54.79 54.55 3gd3 n ASP 488 Cb 0.16 1.16 -0.17 0.00 -0.02 0.00 0.00 41.12 42.26 3gd3 n ASP 488 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gd3 s VAL 489 N -2.99 1.02 0.01 2.53 1.01 -1.17 -4.71 120.40 116.09 3gd3 s VAL 489 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3gd3 s VAL 489 Cb 0.15 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3gd3 s VAL 489 CO 0.83 0.35 -0.05 -0.83 0.00 0.00 0.00 175.10 175.41 3gd3 s GLY 490 N 1.30 0.28 0.28 4.51 0.00 -1.26 -0.42 107.32 112.00 3gd3 s GLY 490 Ca -0.03 -0.36 0.08 0.00 0.00 0.00 0.00 44.72 44.41 3gd3 s GLY 490 CO -0.03 -0.36 -0.10 -0.19 0.00 0.00 0.00 173.10 172.42 3gd3 s TYR 491 N -0.54 2.04 -0.44 1.90 1.51 0.17 -2.88 117.35 119.11 3gd3 s TYR 491 Ca -0.03 -0.59 0.07 0.00 -1.01 0.00 0.00 57.07 55.51 3gd3 s TYR 491 Cb -0.04 -1.09 0.27 0.00 -0.11 0.00 0.00 41.96 40.99 3gd3 s TYR 491 CO -0.00 0.41 0.82 0.39 -1.11 0.00 0.00 175.55 176.06 3gd3 n GLU 492 N -0.59 0.84 -2.33 -0.62 -0.58 -1.08 -3.34 120.64 112.94 3gd3 n GLU 492 Ca -0.06 -2.37 -0.41 0.00 -0.42 0.00 0.00 57.16 53.91 3gd3 n GLU 492 Cb 0.62 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 30.12 3gd3 n GLU 492 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gd3 s ALA 493 N -0.29 3.45 -0.22 0.62 0.00 0.15 -3.23 121.76 122.25 3gd3 s ALA 493 Ca 0.32 1.04 -0.24 0.00 0.00 0.00 0.00 51.96 53.08 3gd3 s ALA 493 Cb 0.24 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 20.03 3gd3 s ALA 493 CO -0.15 -0.37 0.66 -1.50 0.00 0.00 0.00 175.76 174.40 3gd3 s ILE 494 N -0.95 0.00 0.00 0.00 -1.16 -1.14 -0.16 121.20 117.80 3gd3 s ILE 494 Ca 0.48 -0.01 0.00 0.00 -0.51 0.00 0.00 60.65 60.61 3gd3 s ILE 494 Cb -0.35 -0.93 0.00 0.00 0.61 0.00 0.00 42.46 41.79 3gd3 s ILE 494 CO 0.44 -0.01 0.00 0.61 -2.81 0.00 0.00 174.94 173.18 3gd3 n GLY 495 N 2.44 -0.43 3.47 1.50 0.00 -1.26 -3.02 105.19 107.89 3gd3 n GLY 495 Ca -0.15 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 3gd3 n GLY 495 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gd3 s LEU 496 N 0.00 4.84 -0.10 0.99 2.96 0.36 -4.98 118.68 122.75 3gd3 s LEU 496 Ca 0.00 -0.73 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 3gd3 s LEU 496 Cb 0.00 -2.50 0.02 0.00 0.50 0.00 0.00 46.19 44.21 3gd3 s LEU 496 CO 0.00 -0.79 -0.09 0.68 -1.32 0.00 0.00 176.35 174.83 3gd3 s VAL 497 N 2.55 1.05 -0.25 1.68 -7.23 -1.26 -3.71 120.40 113.23 3gd3 s VAL 497 Ca 0.16 -0.34 -0.26 0.00 -1.81 0.00 0.00 61.98 59.73 3gd3 s VAL 497 Cb -0.18 -1.04 0.09 0.00 0.56 0.00 0.00 36.38 35.82 3gd3 s VAL 497 CO 0.14 0.36 0.85 -0.62 -0.31 0.00 0.00 175.10 175.52 3gd3 s ASP 498 N 1.41 -0.61 0.57 4.85 -1.08 -1.26 -4.94 116.67 115.62 3gd3 s ASP 498 Ca -0.00 1.11 0.27 0.00 -0.52 0.00 0.00 52.55 53.40 3gd3 s ASP 498 Cb -0.13 1.10 1.70 0.00 -1.46 0.00 0.00 42.92 44.12 3gd3 s ASP 498 CO -0.05 -0.25 2.23 0.77 0.52 0.00 0.00 175.17 178.39 3gd3 h SER 499 N 4.38 0.00 -0.86 -0.34 4.64 -1.45 -2.31 113.55 117.61 3gd3 h SER 499 Ca -0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3gd3 h SER 499 Cb 1.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 3gd3 h SER 499 CO 0.12 0.01 0.53 0.77 -0.87 0.00 0.00 176.83 177.38 3gd3 h SER 500 N 0.00 1.02 -3.93 4.97 4.64 -1.88 -3.42 113.55 114.96 3gd3 h SER 500 Ca -0.00 -0.05 -0.53 0.00 -0.47 0.00 0.00 61.79 60.74 3gd3 h SER 500 Cb 0.02 -0.26 0.08 0.00 -0.31 0.00 0.00 62.40 61.93 3gd3 h SER 500 CO 0.00 0.78 0.64 -0.76 -0.87 0.00 0.00 176.83 176.62 3gd3 s LEU 501 N -9.92 4.29 0.50 5.97 1.43 -0.87 -4.97 118.68 115.11 3gd3 s LEU 501 Ca -0.12 2.72 -0.22 0.00 -1.03 0.00 0.00 54.13 55.48 3gd3 s LEU 501 Cb 0.17 -3.80 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 3gd3 s LEU 501 CO 0.81 -0.76 1.04 -2.65 0.23 0.00 0.00 176.35 175.01 3gd3 n PRO 502 N 0.37 1.26 -4.53 1.29 -0.02 -1.25 -4.86 135.00 127.25 3gd3 n PRO 502 Ca 0.02 0.46 -0.23 0.00 -2.02 0.00 0.00 63.50 61.73 3gd3 n PRO 502 Cb 0.42 -2.17 -0.16 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.37 1.02 -0.10 3.45 2.01 -1.26 -2.31 115.64 117.07 3gd3 s THR 503 Ca 0.68 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.24 3gd3 s THR 503 Cb -0.48 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.13 3gd3 s THR 503 CO 0.53 0.32 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.98 3gd3 s VAL 504 N 0.43 1.18 0.18 3.82 1.01 -0.86 -5.02 120.40 121.14 3gd3 s VAL 504 Ca -0.09 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.56 3gd3 s VAL 504 Cb -0.13 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3gd3 s VAL 504 CO 0.02 0.38 -0.13 -0.83 0.00 0.00 0.00 175.10 174.54 3gd3 s GLY 505 N 1.28 1.72 -0.03 4.51 0.00 -1.26 -0.26 107.32 113.28 3gd3 s GLY 505 Ca -0.02 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.20 3gd3 s GLY 505 CO -0.04 -1.52 -0.02 0.14 0.00 0.00 0.00 173.10 171.66 3gd3 s VAL 506 N -1.67 0.30 -0.01 1.40 1.01 -0.50 -5.00 120.40 115.93 3gd3 s VAL 506 Ca 0.24 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3gd3 s VAL 506 Cb -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 3gd3 s VAL 506 CO 0.14 0.16 -0.05 -0.36 0.00 0.00 0.00 175.10 174.99 3gd3 s PHE 507 N 0.85 0.50 0.00 5.22 0.40 -1.26 -1.32 117.98 122.37 3gd3 s PHE 507 Ca -0.09 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 3gd3 s PHE 507 Cb -0.13 -0.35 0.00 0.00 0.51 0.00 0.00 43.02 43.05 3gd3 s PHE 507 CO -0.01 -0.03 0.00 0.00 0.70 0.00 0.00 175.22 175.88 3gd3 n ALA 508 N 3.11 0.00 -1.78 5.36 0.00 -0.61 -4.94 120.51 121.65 3gd3 n ALA 508 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.96 3gd3 n ALA 508 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 3gd3 n ALA 508 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gd3 s LYS 509 N -1.78 3.73 -0.33 0.00 1.02 -1.26 -1.95 119.74 119.17 3gd3 s LYS 509 Ca 0.00 1.31 -0.06 0.00 0.02 0.00 0.00 55.97 57.23 3gd3 s LYS 509 Cb 0.00 -2.09 0.04 0.00 -0.52 0.00 0.00 37.83 35.26 3gd3 s LYS 509 CO 0.00 -0.48 0.10 0.00 -0.92 0.00 0.00 175.35 174.05 3gd3 s ALA 510 N -2.10 3.03 0.99 5.17 0.00 -1.26 -4.66 121.76 122.93 3gd3 s ALA 510 Ca 0.66 -1.72 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 3gd3 s ALA 510 Cb -0.16 -2.24 0.14 0.00 0.00 0.00 0.00 23.12 20.87 3gd3 s ALA 510 CO 0.23 -1.30 0.86 -2.37 0.00 0.00 0.00 175.76 173.18 3gd3 n THR 511 N 4.80 0.00 1.00 0.00 5.66 -1.26 -4.90 114.28 119.58 3gd3 n THR 511 Ca -0.13 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 3gd3 n THR 511 Cb 0.45 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.57 3gd3 n THR 511 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gd3 n ALA 512 N -3.54 2.13 0.34 1.79 0.00 -1.26 -1.76 120.51 118.21 3gd3 n ALA 512 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.34 3gd3 n ALA 512 Cb 0.38 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 3gd3 n ALA 512 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gd3 n GLN 513 N -0.11 2.58 -2.29 0.00 3.00 -1.26 -4.82 117.38 114.47 3gd3 n GLN 513 Ca 0.00 -0.45 -0.38 0.00 -0.01 0.00 0.00 57.00 56.16 3gd3 n GLN 513 Cb 0.11 -0.98 0.02 0.00 0.00 0.00 0.00 30.24 29.39 3gd3 n GLN 513 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3gd3 n ASP 514 N -0.43 6.96 -3.61 1.08 8.00 -0.72 -4.26 116.55 123.56 3gd3 n ASP 514 Ca 0.03 -3.77 -0.10 0.00 0.71 0.00 0.00 54.79 51.66 3gd3 n ASP 514 Cb 0.15 -1.00 -0.06 0.00 -0.02 0.00 0.00 41.12 40.19 3gd3 n ASP 514 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gd3 s ASN 515 N -1.61 -0.44 0.18 -2.24 4.22 -1.26 -4.83 114.94 108.96 3gd3 s ASN 515 Ca 0.47 0.72 0.08 0.00 -2.14 0.00 0.00 52.86 52.00 3gd3 s ASN 515 Cb 0.34 0.69 0.60 0.00 1.28 0.00 0.00 41.25 44.16 3gd3 s ASN 515 CO -0.28 -0.24 0.78 -2.65 -2.04 0.00 0.00 177.10 172.67 3gd3 n PRO 516 N 1.68 -0.03 -0.24 3.55 -0.02 -1.12 0.33 135.00 139.15 3gd3 n PRO 516 Ca -0.12 0.69 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 3gd3 n PRO 516 Cb 0.57 -1.21 0.04 0.00 -0.02 0.00 0.00 33.50 32.88 3gd3 n PRO 516 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3gd3 h LYS 517 N 0.00 1.10 0.00 -0.52 3.64 -1.82 -2.57 116.57 116.40 3gd3 h LYS 517 Ca 0.39 -0.28 -0.21 0.00 -1.27 0.00 0.00 60.65 59.28 3gd3 h LYS 517 Cb 0.99 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 3gd3 h LYS 517 CO -0.40 1.00 -0.98 0.77 -2.27 0.00 0.00 179.45 177.57 3gd3 h SER 518 N 1.03 0.00 -0.29 4.20 0.02 -0.42 0.36 113.55 118.45 3gd3 h SER 518 Ca 0.21 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.01 3gd3 h SER 518 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 3gd3 h SER 518 CO 0.01 0.98 -0.39 0.00 -1.14 0.00 0.00 176.83 176.29 3gd3 h ALA 519 N 1.02 0.44 -0.51 3.77 0.00 -1.59 -1.32 119.26 121.06 3gd3 h ALA 519 Ca -0.01 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3gd3 h ALA 519 Cb 1.74 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 3gd3 h ALA 519 CO 0.13 0.54 0.27 1.15 0.00 0.00 0.00 179.25 181.34 3gd3 h THR 520 N 0.53 0.99 -0.40 0.00 2.02 -1.42 0.58 112.91 115.20 3gd3 h THR 520 Ca 0.03 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.08 3gd3 h THR 520 Cb 0.98 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 3gd3 h THR 520 CO 0.09 0.10 0.15 -0.33 0.37 0.00 0.00 175.52 175.90 3gd3 h GLU 521 N 0.54 0.31 -0.09 6.66 5.08 -0.80 0.28 114.58 126.55 3gd3 h GLU 521 Ca 0.22 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3gd3 h GLU 521 Cb 0.10 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3gd3 h GLU 521 CO -0.13 0.20 -0.05 1.96 -1.00 0.00 0.00 179.01 179.99 3gd3 h GLN 522 N 0.32 0.20 0.00 2.33 4.20 -0.71 -3.31 115.11 118.14 3gd3 h GLN 522 Ca 0.19 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3gd3 h GLN 522 Cb 0.16 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3gd3 h GLN 522 CO -0.18 0.57 -0.35 -1.13 -0.67 0.00 0.00 178.83 177.07 3gd3 n SER 523 N -4.72 0.52 0.00 1.46 3.41 0.20 -4.95 113.62 109.53 3gd3 n SER 523 Ca -0.07 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3gd3 n SER 523 Cb 0.28 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3gd3 n SER 523 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gd3 n GLY 524 N 1.41 2.15 3.94 5.00 0.00 0.97 -5.01 105.19 113.66 3gd3 n GLY 524 Ca 0.05 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.67 5.27 -0.07 2.61 -1.32 -1.23 -4.84 115.64 115.40 3gd3 s THR 525 Ca 0.00 -0.60 -0.15 0.00 -1.21 0.00 0.00 61.69 59.74 3gd3 s THR 525 Cb 0.00 -3.75 -0.30 0.00 -1.51 0.00 0.00 72.50 66.94 3gd3 s THR 525 CO 0.00 -0.15 0.67 1.23 -2.21 0.00 0.00 174.62 174.16 3gd3 h GLY 526 N 1.98 0.38 -3.93 6.08 0.00 -1.95 -3.37 103.07 102.27 3gd3 h GLY 526 Ca -0.49 -0.97 -0.58 0.00 0.00 0.00 0.00 47.33 45.29 3gd3 h GLY 526 CO 0.68 0.85 0.22 1.39 0.00 0.00 0.00 176.54 179.68 3gd3 n ILE 527 N -3.80 2.31 -0.05 2.60 2.08 -1.26 -4.94 119.36 116.30 3gd3 n ILE 527 Ca -0.23 -0.50 -0.04 0.00 0.56 0.00 0.00 62.75 62.54 3gd3 n ILE 527 Cb 0.98 -1.20 -0.09 0.00 -0.75 0.00 0.00 39.64 38.57 3gd3 n ILE 527 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3gd3 n ARG 528 N 0.29 1.96 -0.00 0.38 0.63 -1.26 -4.38 116.66 114.27 3gd3 n ARG 528 Ca 0.09 -0.02 0.16 0.00 -0.92 0.00 0.00 57.85 57.16 3gd3 n ARG 528 Cb 0.38 -1.28 0.62 0.00 0.45 0.00 0.00 32.46 32.62 3gd3 n ARG 528 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3gd3 h SER 529 N 0.00 0.13 0.36 6.15 4.64 -1.92 -2.64 113.55 120.27 3gd3 h SER 529 Ca -0.26 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.74 3gd3 h SER 529 Cb 1.53 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 3gd3 h SER 529 CO 0.01 0.07 -1.68 1.05 -0.87 0.00 0.00 176.83 175.42 3gd3 h GLU 530 N 0.14 0.24 -0.57 4.77 4.11 -1.90 -3.31 114.58 118.06 3gd3 h GLU 530 Ca 0.24 -0.40 -0.05 0.00 0.07 0.00 0.00 59.36 59.21 3gd3 h GLU 530 Cb 0.75 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 3gd3 h GLU 530 CO -0.03 1.07 0.15 0.66 0.07 0.00 0.00 179.01 180.93 3gd3 h SER 531 N 0.06 0.86 0.69 3.06 4.64 -1.68 -1.49 113.55 119.70 3gd3 h SER 531 Ca -0.30 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3gd3 h SER 531 Cb 2.03 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 3gd3 h SER 531 CO 0.14 0.86 0.00 -0.62 -0.87 0.00 0.00 176.83 176.34 3gd3 n GLU 532 N -4.39 0.16 -0.45 4.77 -0.58 -1.08 -4.91 120.64 114.15 3gd3 n GLU 532 Ca 0.03 0.06 0.06 0.00 -0.42 0.00 0.00 57.16 56.89 3gd3 n GLU 532 Cb 0.23 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.58 3gd3 n GLU 532 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3gd3 n THR 533 N -1.41 0.00 -0.03 2.62 -2.24 -0.56 -4.42 114.28 108.24 3gd3 n THR 533 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3gd3 n THR 533 Cb 0.25 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3gd3 n THR 533 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3gd3 n GLU 534 N -2.61 2.87 -1.29 -0.78 0.28 -1.26 -4.87 120.64 112.98 3gd3 n GLU 534 Ca 0.00 -0.23 -0.29 0.00 -0.16 0.00 0.00 57.16 56.48 3gd3 n GLU 534 Cb 0.21 -0.72 0.16 0.00 1.43 0.00 0.00 31.44 32.52 3gd3 n GLU 534 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3gd3 s SER 535 N -0.48 2.92 -0.25 -1.84 1.04 -1.26 -4.92 113.70 108.91 3gd3 s SER 535 Ca 0.00 1.13 -0.02 0.00 0.48 0.00 0.00 55.95 57.54 3gd3 s SER 535 Cb 0.00 -1.77 0.08 0.00 0.10 0.00 0.00 66.02 64.43 3gd3 s SER 535 CO 0.00 -2.94 0.06 -0.70 0.98 0.00 0.00 173.24 170.64 3gd3 s GLU 536 N -5.06 0.71 0.26 4.02 2.12 -1.26 -4.20 118.70 115.28 3gd3 s GLU 536 Ca 0.65 -0.74 -0.31 0.00 0.36 0.00 0.00 54.97 54.93 3gd3 s GLU 536 Cb -0.17 -2.02 -0.11 0.00 0.26 0.00 0.00 34.13 32.08 3gd3 s GLU 536 CO 0.56 -0.81 1.59 0.00 -0.54 0.00 0.00 175.26 176.07 3gd3 s ALA 537 N 1.74 3.77 -0.46 6.30 0.00 0.94 -5.00 121.76 129.06 3gd3 s ALA 537 Ca 0.04 1.52 0.05 0.00 0.00 0.00 0.00 51.96 53.57 3gd3 s ALA 537 Cb -0.17 -3.64 0.18 0.00 0.00 0.00 0.00 23.12 19.48 3gd3 s ALA 537 CO -0.17 -0.91 0.53 -1.54 0.00 0.00 0.00 175.76 173.67 3gd3 s SER 538 N 0.68 -0.03 0.00 0.00 1.04 -1.26 -4.61 113.70 109.52 3gd3 s SER 538 Ca 0.66 -2.25 0.01 0.00 0.48 0.00 0.00 55.95 54.85 3gd3 s SER 538 Cb -0.47 0.81 0.06 0.00 0.10 0.00 0.00 66.02 66.52 3gd3 s SER 538 CO 0.42 -0.12 1.04 -0.62 0.98 0.00 0.00 173.24 174.94 3gd3 n GLU 557 N 3.06 0.00 0.00 4.02 4.71 -1.26 -5.22 120.64 125.96 3gd3 n GLU 557 Ca 0.22 0.48 0.02 0.00 -0.01 0.00 0.00 57.16 57.86 3gd3 n GLU 557 Cb 0.52 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 29.52 3gd3 n GLU 557 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3gd3 n ASP 558 N -1.50 0.00 -4.50 1.62 10.43 -1.26 -4.83 116.55 116.51 3gd3 n ASP 558 Ca 0.00 0.37 -0.32 0.00 2.57 0.00 0.00 54.79 57.41 3gd3 n ASP 558 Cb 0.02 -0.39 -0.18 0.00 1.84 0.00 0.00 41.12 42.40 3gd3 n ASP 558 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3gd3 n TYR 559 N -1.39 0.33 0.47 1.24 4.02 -1.26 -4.76 117.16 115.80 3gd3 n TYR 559 Ca 0.01 0.20 0.09 0.00 -0.01 0.00 0.00 57.90 58.19 3gd3 n TYR 559 Cb 0.03 -1.55 -0.12 0.00 -0.02 0.00 0.00 39.34 37.69 3gd3 n TYR 559 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gd3 n GLY 560 N 6.05 -0.71 3.14 2.72 0.00 -0.82 -4.92 105.19 110.64 3gd3 n GLY 560 Ca 0.66 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.90 0.83 0.00 1.61 -2.85 -1.14 -4.83 119.74 110.46 3gd3 s LYS 561 Ca 0.01 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.61 3gd3 s LYS 561 Cb 0.12 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 3gd3 s LYS 561 CO 0.73 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 176.40 3gd3 n GLY 562 N -0.03 -0.39 3.04 0.59 0.00 -0.91 -1.57 105.19 105.92 3gd3 n GLY 562 Ca -0.09 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 1.10 0.02 1.61 0.11 -0.44 -1.46 120.40 119.34 3gd3 s VAL 563 Ca 0.00 -0.50 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 3gd3 s VAL 563 Cb 0.00 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 3gd3 s VAL 563 CO 0.00 0.33 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.45 3gd3 s ILE 564 N 0.35 3.93 -0.12 7.04 1.01 -0.62 -1.41 121.20 131.39 3gd3 s ILE 564 Ca -0.08 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3gd3 s ILE 564 Cb -0.12 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.58 3gd3 s ILE 564 CO 0.02 0.31 -0.21 -0.36 0.00 0.00 0.00 174.94 174.71 3gd3 s PHE 565 N -1.11 2.65 -1.01 3.97 0.40 0.64 -2.35 117.98 121.16 3gd3 s PHE 565 Ca 0.20 -1.06 -0.10 0.00 -0.60 0.00 0.00 56.93 55.37 3gd3 s PHE 565 Cb -0.11 -1.77 0.26 0.00 0.51 0.00 0.00 43.02 41.90 3gd3 s PHE 565 CO 0.11 -0.44 0.99 0.71 0.70 0.00 0.00 175.22 177.29 3gd3 s TYR 566 N 0.51 4.10 0.40 0.36 1.51 0.62 -2.04 117.35 122.81 3gd3 s TYR 566 Ca -0.13 -2.51 -0.23 0.00 -1.01 0.00 0.00 57.07 53.19 3gd3 s TYR 566 Cb -0.17 -3.80 -0.10 0.00 -0.11 0.00 0.00 41.96 37.79 3gd3 s TYR 566 CO 0.05 -0.95 1.00 -0.48 -1.11 0.00 0.00 175.55 174.06 3gd3 s LEU 567 N -0.84 4.12 -0.18 -1.29 2.34 -0.98 -3.10 118.68 118.76 3gd3 s LEU 567 Ca 0.27 1.90 -0.07 0.00 0.06 0.00 0.00 54.13 56.29 3gd3 s LEU 567 Cb -0.10 -4.26 0.08 0.00 -0.56 0.00 0.00 46.19 41.35 3gd3 s LEU 567 CO -0.08 -0.38 0.38 -0.60 -1.06 0.00 0.00 176.35 174.60 3gd3 s ARG 568 N -2.61 0.29 -0.31 1.48 3.52 -0.71 -3.80 118.95 116.80 3gd3 s ARG 568 Ca 0.58 0.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 3gd3 s ARG 568 Cb -0.18 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 3gd3 s ARG 568 CO 0.23 -0.25 0.00 -0.25 -0.81 0.00 0.00 175.30 174.22 3gd3 n ASP 569 N 5.24 -3.97 0.00 -2.12 8.00 -1.26 -2.05 116.55 120.40 3gd3 n ASP 569 Ca -0.10 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3gd3 n ASP 569 Cb 0.50 -1.73 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 3gd3 n ASP 569 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gd3 n LYS 570 N -2.09 -0.17 -3.39 -1.24 5.02 -1.26 -5.04 118.16 109.98 3gd3 n LYS 570 Ca -0.03 0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 3gd3 n LYS 570 Cb 0.20 -3.09 -0.05 0.00 -0.02 0.00 0.00 35.03 32.07 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 -2.68 4.91 -0.29 -0.18 1.01 -0.87 -4.55 120.40 117.74 3gd3 s VAL 571 Ca 0.00 0.58 -0.28 0.00 0.00 0.00 0.00 61.98 62.27 3gd3 s VAL 571 Cb 0.00 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.75 3gd3 s VAL 571 CO 0.00 0.01 1.03 -0.69 0.00 0.00 0.00 175.10 175.45 3gd3 s VAL 572 N -1.73 4.59 0.00 2.92 1.01 -1.21 -1.74 120.40 124.24 3gd3 s VAL 572 Ca 0.45 1.76 0.00 0.00 0.00 0.00 0.00 61.98 64.19 3gd3 s VAL 572 Cb -0.12 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.90 3gd3 s VAL 572 CO 0.20 -0.37 0.24 1.33 0.00 0.00 0.00 175.10 176.51 3gd3 n VAL 573 N 5.67 0.05 -3.67 2.92 0.24 -1.24 -4.60 118.33 117.70 3gd3 n VAL 573 Ca 0.11 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 62.09 3gd3 n VAL 573 Cb 0.47 1.55 -0.08 0.00 -1.47 0.00 0.00 33.84 34.31 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 -0.05 -0.43 -0.03 7.63 0.00 -1.18 -0.49 107.32 112.77 3gd3 s GLY 574 Ca 0.00 1.58 -0.03 0.00 0.00 0.00 0.00 44.72 46.27 3gd3 s GLY 574 CO 0.00 1.35 0.08 -0.42 0.00 0.00 0.00 173.10 174.11 3gd3 s ILE 575 N 0.19 0.01 -0.03 0.90 1.01 -1.17 -0.27 121.20 121.84 3gd3 s ILE 575 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.58 3gd3 s ILE 575 Cb -0.04 -0.15 0.01 0.00 0.01 0.00 0.00 42.46 42.29 3gd3 s ILE 575 CO 0.01 -0.05 -0.08 -0.69 0.00 0.00 0.00 174.94 174.14 3gd3 s VAL 576 N -0.11 0.69 -0.18 2.92 1.01 -0.99 -2.88 120.40 120.86 3gd3 s VAL 576 Ca -0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 3gd3 s VAL 576 Cb -0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3gd3 s VAL 576 CO 0.00 0.23 -0.04 -0.76 0.00 0.00 0.00 175.10 174.53 3gd3 s LEU 577 N 0.35 3.11 -0.47 3.92 1.43 -1.20 -1.59 118.68 124.23 3gd3 s LEU 577 Ca -0.05 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 3gd3 s LEU 577 Cb -0.10 -1.77 0.12 0.00 0.03 0.00 0.00 46.19 44.48 3gd3 s LEU 577 CO 0.00 0.09 0.32 0.86 0.23 0.00 0.00 176.35 177.86 3gd3 s TRP 578 N 0.80 3.48 -1.59 0.29 -0.00 -0.54 -2.62 118.94 118.76 3gd3 s TRP 578 Ca -0.01 -2.08 -0.03 0.00 -0.00 0.00 0.00 56.10 53.99 3gd3 s TRP 578 Cb -0.15 -3.42 0.01 0.00 -0.00 0.00 0.00 33.47 29.91 3gd3 s TRP 578 CO 0.02 -0.98 0.30 0.09 -0.00 0.00 0.00 176.95 176.38 3gd3 n ASN 579 N 4.72 -5.71 -4.17 5.86 5.03 -1.14 -2.15 115.26 117.71 3gd3 n ASN 579 Ca -0.05 -0.14 -0.33 0.00 0.87 0.00 0.00 54.58 54.93 3gd3 n ASN 579 Cb 0.41 -4.69 -0.16 0.00 -1.02 0.00 0.00 39.78 34.32 3gd3 n ASN 579 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3gd3 s VAL 580 N -3.06 2.17 0.17 2.41 1.01 -1.26 -4.50 120.40 117.34 3gd3 s VAL 580 Ca 0.16 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3gd3 s VAL 580 Cb -0.07 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 3gd3 s VAL 580 CO 0.20 0.54 0.05 0.49 0.00 0.00 0.00 175.10 176.37 3gd3 n PHE 581 N 4.29 0.13 0.00 5.22 3.01 -1.26 -4.81 117.46 124.04 3gd3 n PHE 581 Ca -0.20 -1.04 0.00 0.00 1.01 0.00 0.00 57.45 57.22 3gd3 n PHE 581 Cb 0.51 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 3gd3 n PHE 581 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3gd3 n ASN 582 N -1.71 0.00 -3.93 4.37 3.02 -1.26 -4.81 115.26 110.94 3gd3 n ASN 582 Ca -0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.22 3gd3 n ASN 582 Cb 0.25 -1.06 -0.11 0.00 -0.61 0.00 0.00 39.78 38.25 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 -1.51 2.04 0.00 3.52 5.12 -1.26 -4.71 116.66 119.86 3gd3 n ARG 583 Ca 0.00 -4.50 0.00 0.00 -1.93 0.00 0.00 57.85 51.42 3gd3 n ARG 583 Cb 0.00 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 28.98 3gd3 n ARG 583 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 3gd3 n MET 584 N 1.98 2.44 0.00 5.56 1.56 -1.26 -4.31 117.12 123.10 3gd3 n MET 584 Ca 0.21 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.66 3gd3 n MET 584 Cb 0.36 -0.87 0.10 0.00 2.15 0.00 0.00 33.22 34.96 3gd3 n MET 584 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 3gd3 n PRO 585 N -1.41 0.00 -0.13 2.12 -0.02 -1.26 -1.80 135.00 132.50 3gd3 n PRO 585 Ca 0.00 0.41 -0.23 0.00 -2.02 0.00 0.00 63.50 61.66 3gd3 n PRO 585 Cb 0.23 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.10 3gd3 n PRO 585 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3gd3 n ILE 586 N -1.49 1.52 0.05 4.25 5.41 -1.26 -0.04 119.36 127.79 3gd3 n ILE 586 Ca 0.01 -0.49 0.20 0.00 1.00 0.00 0.00 62.75 63.47 3gd3 n ILE 586 Cb 0.06 -1.63 0.73 0.00 -0.71 0.00 0.00 39.64 38.09 3gd3 n ILE 586 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gd3 h ALA 587 N -0.40 2.29 -0.04 -1.39 0.00 -1.65 0.41 119.26 118.48 3gd3 h ALA 587 Ca -0.62 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3gd3 h ALA 587 Cb 1.78 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3gd3 h ALA 587 CO -0.22 -0.62 -0.09 0.00 0.00 0.00 0.00 179.25 178.32 3gd3 h ARG 588 N 0.00 0.13 -1.15 0.00 3.08 -1.56 -3.13 114.38 111.74 3gd3 h ARG 588 Ca 0.22 -0.09 0.34 0.00 0.07 0.00 0.00 59.98 60.52 3gd3 h ARG 588 Cb 0.99 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.94 3gd3 h ARG 588 CO -0.00 0.69 0.74 -0.22 -1.07 0.00 0.00 179.97 180.11 3gd3 h LYS 589 N -0.41 0.25 0.10 0.04 3.64 -0.29 0.29 116.57 120.18 3gd3 h LYS 589 Ca -0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3gd3 h LYS 589 Cb 0.69 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3gd3 h LYS 589 CO 0.02 0.16 -0.05 0.82 -2.27 0.00 0.00 179.45 178.14 3gd3 h ILE 590 N 0.25 0.00 -1.00 2.00 2.04 -1.57 -3.14 117.51 116.10 3gd3 h ILE 590 Ca 0.69 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.76 3gd3 h ILE 590 Cb 1.97 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 3gd3 h ILE 590 CO -0.36 0.00 0.65 0.40 0.00 0.00 0.00 178.15 178.84 3gd3 h ILE 591 N -0.99 1.09 -0.50 -0.67 2.04 -1.33 -1.62 117.51 115.53 3gd3 h ILE 591 Ca -0.01 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.35 3gd3 h ILE 591 Cb 0.10 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 35.98 3gd3 h ILE 591 CO 0.02 0.21 -0.08 0.50 0.00 0.00 0.00 178.15 178.81 3gd3 h LYS 592 N 1.17 0.94 -0.36 2.37 1.63 -0.62 -3.09 116.57 118.61 3gd3 h LYS 592 Ca 0.43 -0.34 -0.11 0.00 -0.85 0.00 0.00 60.65 59.78 3gd3 h LYS 592 Cb 0.17 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3gd3 h LYS 592 CO -0.17 1.00 -0.24 -0.44 -3.45 0.00 0.00 179.45 176.15 3gd3 h ASP 593 N 0.80 0.73 -0.48 4.20 5.19 -1.40 -3.47 116.42 121.99 3gd3 h ASP 593 Ca 0.13 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 3gd3 h ASP 593 Cb 0.63 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.94 3gd3 h ASP 593 CO 0.04 0.94 0.00 0.61 -3.12 0.00 0.00 179.24 177.71 3gd3 n GLY 594 N -0.25 0.68 3.73 2.75 0.00 -0.65 -5.02 105.19 106.43 3gd3 n GLY 594 Ca -0.00 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 3gd3 n GLY 594 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gd3 n GLU 595 N -0.75 1.59 -4.99 1.61 -0.58 -1.19 -4.77 120.64 111.55 3gd3 n GLU 595 Ca 0.00 0.59 -0.32 0.00 -0.42 0.00 0.00 57.16 57.00 3gd3 n GLU 595 Cb 0.49 -2.54 -0.14 0.00 -0.57 0.00 0.00 31.44 28.68 3gd3 n GLU 595 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3gd3 s GLN 596 N -2.90 2.65 -0.24 3.49 -0.21 -1.26 -3.32 119.66 117.86 3gd3 s GLN 596 Ca 0.73 -0.76 -0.09 0.00 0.02 0.00 0.00 55.36 55.26 3gd3 s GLN 596 Cb -0.42 -2.35 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 3gd3 s GLN 596 CO 0.48 0.48 0.11 -1.01 -2.12 0.00 0.00 175.29 173.24 3gd3 s HIS 597 N -0.38 3.19 0.23 0.91 3.76 -1.26 -4.94 115.29 116.80 3gd3 s HIS 597 Ca 0.04 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 3gd3 s HIS 597 Cb -0.12 -2.25 0.25 0.00 1.11 0.00 0.00 32.58 31.57 3gd3 s HIS 597 CO 0.02 -0.14 1.59 0.93 -0.85 0.00 0.00 174.74 176.29 3gd3 h GLU 598 N 7.86 0.44 -3.89 1.40 5.08 -1.99 -3.44 114.58 120.03 3gd3 h GLU 598 Ca -0.37 -0.24 -0.28 0.00 -1.00 0.00 0.00 59.36 57.47 3gd3 h GLU 598 Cb 1.18 0.01 -0.30 0.00 0.50 0.00 0.00 28.75 30.14 3gd3 h GLU 598 CO 0.61 0.82 -0.74 0.34 -1.00 0.00 0.00 179.01 179.03 3gd3 s ASP 599 N -6.88 0.27 0.00 1.42 2.15 -1.26 -5.04 116.67 107.33 3gd3 s ASP 599 Ca -0.06 -0.03 0.18 0.00 0.43 0.00 0.00 52.55 53.07 3gd3 s ASP 599 Cb 0.12 -0.07 0.28 0.00 -0.30 0.00 0.00 42.92 42.96 3gd3 s ASP 599 CO 0.81 -0.01 1.21 0.18 -0.17 0.00 0.00 175.17 177.19 3gd3 n LEU 600 N 3.30 2.91 0.10 -1.34 4.77 -1.26 -4.21 117.00 121.27 3gd3 n LEU 600 Ca -0.16 -1.36 0.12 0.00 -0.03 0.00 0.00 56.01 54.57 3gd3 n LEU 600 Cb 0.57 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3gd3 n LEU 600 CO 0.25 0.60 0.08 0.78 -1.33 0.00 0.00 177.39 177.77 3gd3 h ASN 601 N 3.54 0.00 -0.63 -1.43 4.21 -2.00 -3.37 115.58 115.90 3gd3 h ASN 601 Ca 0.00 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.47 3gd3 h ASN 601 Cb 0.81 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.01 3gd3 h ASN 601 CO 0.00 0.02 0.00 -0.62 -1.29 0.00 0.00 177.43 175.54 3gd3 n GLU 602 N -2.59 3.49 0.00 0.81 -0.58 -1.26 -3.85 120.64 116.66 3gd3 n GLU 602 Ca 0.01 -2.70 0.00 0.00 -0.42 0.00 0.00 57.16 54.05 3gd3 n GLU 602 Cb 0.53 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 3gd3 n GLU 602 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3gd3 n VAL 603 N 1.14 0.00 0.06 2.62 0.31 -1.26 -4.57 118.33 116.62 3gd3 n VAL 603 Ca 0.24 -0.21 -0.03 0.00 -0.01 0.00 0.00 64.34 64.33 3gd3 n VAL 603 Cb 0.82 0.71 0.21 0.00 -0.91 0.00 0.00 33.84 34.67 3gd3 n VAL 603 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gd3 h ALA 604 N 0.00 1.09 -0.50 3.52 0.00 -1.72 -3.17 119.26 118.48 3gd3 h ALA 604 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3gd3 h ALA 604 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3gd3 h ALA 604 CO 0.00 0.58 0.27 0.87 0.00 0.00 0.00 179.25 180.97 3gd3 h LYS 605 N 0.31 0.69 0.00 0.00 1.57 -1.64 0.15 116.57 117.64 3gd3 h LYS 605 Ca 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3gd3 h LYS 605 Cb 0.76 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3gd3 h LYS 605 CO 0.06 0.51 0.00 -0.07 -0.57 0.00 0.00 179.45 179.38 3gd3 h LEU 606 N 0.69 0.00 -2.96 2.94 4.07 -1.82 -2.02 115.31 116.22 3gd3 h LEU 606 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 3gd3 h LEU 606 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 3gd3 h LEU 606 CO -0.03 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.82 3gd3 n PHE 607 N -2.85 1.03 -3.57 1.13 3.01 -0.34 -4.95 117.46 110.91 3gd3 n PHE 607 Ca -0.00 -0.57 -0.22 0.00 1.01 0.00 0.00 57.45 57.67 3gd3 n PHE 607 Cb 0.19 -0.12 0.07 0.00 -0.01 0.00 0.00 39.48 39.62 3gd3 n PHE 607 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3gd3 n ASN 608 N 1.02 -4.18 -4.09 4.37 5.15 -0.76 -4.98 115.26 111.80 3gd3 n ASN 608 Ca 0.22 -0.62 -0.32 0.00 -0.60 0.00 0.00 54.58 53.26 3gd3 n ASN 608 Cb 0.69 -4.88 -0.16 0.00 -0.53 0.00 0.00 39.78 34.90 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 -3.36 1.95 0.00 -1.44 -1.09 0.38 -4.98 121.20 112.65 3gd3 s ILE 609 Ca 0.33 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 3gd3 s ILE 609 Cb -0.15 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.91 3gd3 s ILE 609 CO 0.75 0.43 0.24 1.41 -1.23 0.00 0.00 174.94 176.54