#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gd3 s PRO 128 N 0.00 3.13 -0.19 0.00 0.02 -1.26 -4.99 135.00 131.71 3gd3 s PRO 128 Ca 0.00 0.63 -0.04 0.00 0.02 0.00 0.00 61.00 61.61 3gd3 s PRO 128 Cb 0.00 -2.04 -0.22 0.00 0.02 0.00 0.00 34.50 32.27 3gd3 s PRO 128 CO 0.00 -0.88 0.09 -1.13 -0.33 0.00 0.00 177.00 174.75 3gd3 n SER 129 N -2.93 2.05 -4.39 2.53 3.41 -1.26 -4.67 113.62 108.36 3gd3 n SER 129 Ca 0.07 0.08 -0.27 0.00 -0.26 0.00 0.00 58.87 58.48 3gd3 n SER 129 Cb 0.56 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.53 2.22 -0.18 7.33 5.65 -1.26 -0.33 115.29 126.18 3gd3 s HIS 130 Ca -0.28 -0.38 -0.13 0.00 0.25 0.00 0.00 55.06 54.52 3gd3 s HIS 130 Cb 0.08 -1.16 0.06 0.00 -1.18 0.00 0.00 32.58 30.37 3gd3 s HIS 130 CO 0.68 0.38 0.46 0.54 -0.65 0.00 0.00 174.74 176.15 3gd3 s VAL 131 N -1.34 -0.01 0.07 0.89 0.11 -0.43 -4.89 120.40 114.81 3gd3 s VAL 131 Ca 0.15 0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.98 3gd3 s VAL 131 Cb -0.09 -0.67 -0.17 0.00 -1.53 0.00 0.00 36.38 33.92 3gd3 s VAL 131 CO 0.07 0.02 1.64 1.55 -3.33 0.00 0.00 175.10 175.05 3gd3 h PRO 132 N 6.49 -0.44 -5.07 1.54 0.13 -1.86 -2.95 132.00 129.85 3gd3 h PRO 132 Ca -0.33 0.03 -0.63 0.00 -0.87 0.00 0.00 66.00 64.21 3gd3 h PRO 132 Cb 1.19 0.10 -0.16 0.00 0.13 0.00 0.00 31.00 32.25 3gd3 h PRO 132 CO 0.25 -0.27 -0.54 -0.06 -0.23 0.00 0.00 178.00 177.15 3gd3 s PHE 133 N -5.98 3.25 -0.10 1.56 0.40 -1.05 -0.22 117.98 115.84 3gd3 s PHE 133 Ca -0.15 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.30 3gd3 s PHE 133 Cb 0.04 -2.25 -0.00 0.00 0.51 0.00 0.00 43.02 41.33 3gd3 s PHE 133 CO 0.63 -0.02 -0.23 -1.17 0.70 0.00 0.00 175.22 175.13 3gd3 s LEU 134 N 1.12 2.15 -0.15 -0.37 2.96 -0.07 -2.25 118.68 122.08 3gd3 s LEU 134 Ca 0.06 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3gd3 s LEU 134 Cb -0.14 -1.43 0.02 0.00 0.50 0.00 0.00 46.19 45.15 3gd3 s LEU 134 CO 0.05 0.17 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.34 3gd3 s LEU 135 N 0.27 1.75 -0.54 -0.68 1.43 -0.91 -1.16 118.68 118.84 3gd3 s LEU 135 Ca -0.16 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.23 3gd3 s LEU 135 Cb -0.17 -1.22 0.07 0.00 0.03 0.00 0.00 46.19 44.90 3gd3 s LEU 135 CO 0.08 -0.04 0.72 -0.63 0.23 0.00 0.00 176.35 176.70 3gd3 s ILE 136 N 1.41 4.74 0.00 -0.59 1.01 -0.74 -1.23 121.20 125.81 3gd3 s ILE 136 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3gd3 s ILE 136 Cb -0.13 -4.40 0.00 0.00 0.01 0.00 0.00 42.46 37.93 3gd3 s ILE 136 CO -0.10 -0.97 0.00 0.61 0.00 0.00 0.00 174.94 174.48 3gd3 n GLY 137 N 5.20 2.11 1.95 6.18 0.00 0.20 -2.28 105.19 118.54 3gd3 n GLY 137 Ca -0.06 -0.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 3gd3 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 138 N 1.05 1.63 2.00 -0.02 0.00 -1.26 -4.47 105.19 104.13 3gd3 n GLY 138 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3gd3 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 139 N 2.14 0.27 0.11 -0.02 0.00 -1.26 -4.06 105.19 102.37 3gd3 n GLY 139 Ca 0.08 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.69 0.88 -0.56 2.61 2.02 -1.89 0.14 112.91 115.42 3gd3 h THR 140 Ca -0.18 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 66.95 3gd3 h THR 140 Cb 0.63 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3gd3 h THR 140 CO 0.18 0.02 0.37 0.00 0.37 0.00 0.00 175.52 176.47 3gd3 h ALA 141 N 0.61 1.80 -0.46 6.16 0.00 -1.79 -2.35 119.26 123.22 3gd3 h ALA 141 Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3gd3 h ALA 141 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3gd3 h ALA 141 CO 0.03 0.12 -0.10 0.00 0.00 0.00 0.00 179.25 179.30 3gd3 h ALA 142 N 1.69 0.95 0.11 0.00 0.00 -1.71 -2.73 119.26 117.56 3gd3 h ALA 142 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3gd3 h ALA 142 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gd3 h ALA 142 CO -0.07 0.62 -0.05 0.35 0.00 0.00 0.00 179.25 180.10 3gd3 h PHE 143 N 0.76 -0.14 -0.94 0.00 3.57 -0.46 -2.79 116.94 116.93 3gd3 h PHE 143 Ca 0.13 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.75 3gd3 h PHE 143 Cb 0.60 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.30 3gd3 h PHE 143 CO 0.03 0.24 0.56 0.00 -2.23 0.00 0.00 178.31 176.91 3gd3 h ALA 144 N 0.28 1.42 -0.33 2.41 0.00 -1.54 -2.12 119.26 119.37 3gd3 h ALA 144 Ca -0.02 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3gd3 h ALA 144 Cb 0.44 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3gd3 h ALA 144 CO 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.36 3gd3 h ALA 145 N 1.53 0.26 -0.09 0.00 0.00 -0.16 0.25 119.26 121.05 3gd3 h ALA 145 Ca 0.48 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 3gd3 h ALA 145 Cb 0.52 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3gd3 h ALA 145 CO -0.29 -0.43 -0.01 0.00 0.00 0.00 0.00 179.25 178.52 3gd3 h ALA 146 N 1.31 0.12 -0.18 0.00 0.00 -1.14 0.12 119.26 119.49 3gd3 h ALA 146 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3gd3 h ALA 146 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gd3 h ALA 146 CO -0.30 -0.18 0.05 0.00 0.00 0.00 0.00 179.25 178.82 3gd3 h ARG 147 N -0.13 0.25 -0.07 0.00 2.47 -1.07 0.18 114.38 116.01 3gd3 h ARG 147 Ca 0.03 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 3gd3 h ARG 147 Cb 0.37 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3gd3 h ARG 147 CO 0.01 0.24 -0.22 1.03 0.56 0.00 0.00 179.97 181.58 3gd3 h SER 148 N 0.25 0.31 0.67 7.04 0.87 -0.29 -2.20 113.55 120.20 3gd3 h SER 148 Ca 0.06 -0.61 -0.03 0.00 -1.23 0.00 0.00 61.79 59.98 3gd3 h SER 148 Cb 0.10 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3gd3 h SER 148 CO -0.00 0.87 -0.38 0.40 -0.53 0.00 0.00 176.83 177.19 3gd3 h ILE 149 N -0.23 0.23 -0.85 2.23 2.04 -0.10 0.14 117.51 120.97 3gd3 h ILE 149 Ca -0.01 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.08 3gd3 h ILE 149 Cb 0.85 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3gd3 h ILE 149 CO 0.05 0.00 0.59 0.03 0.00 0.00 0.00 178.15 178.82 3gd3 h ARG 150 N -0.98 0.14 0.34 2.37 2.47 -0.77 0.62 114.38 118.57 3gd3 h ARG 150 Ca -0.09 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 3gd3 h ARG 150 Cb 0.78 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 3gd3 h ARG 150 CO 0.11 0.09 -0.16 0.00 0.56 0.00 0.00 179.97 180.57 3gd3 h ALA 151 N 1.60 -0.82 -0.78 0.04 0.00 -0.82 -3.23 119.26 115.24 3gd3 h ALA 151 Ca 0.42 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.38 3gd3 h ALA 151 Cb 1.43 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 19.30 3gd3 h ALA 151 CO -0.07 -0.79 0.32 0.00 0.00 0.00 0.00 179.25 178.71 3gd3 h ARG 152 N -0.60 0.44 -3.52 0.00 2.47 0.67 -3.36 114.38 110.48 3gd3 h ARG 152 Ca -0.05 -0.03 -0.62 0.00 -1.26 0.00 0.00 59.98 58.03 3gd3 h ARG 152 Cb 0.35 -0.10 -0.40 0.00 -1.65 0.00 0.00 29.97 28.17 3gd3 h ARG 152 CO 0.08 0.29 -0.72 0.34 0.56 0.00 0.00 179.97 180.51 3gd3 s ASP 153 N -5.33 4.07 0.04 7.04 -1.08 0.20 -5.10 116.67 116.52 3gd3 s ASP 153 Ca -0.12 -2.35 -0.31 0.00 -0.52 0.00 0.00 52.55 49.26 3gd3 s ASP 153 Cb 0.21 -1.20 -0.06 0.00 -1.46 0.00 0.00 42.92 40.40 3gd3 s ASP 153 CO 0.77 -0.32 1.41 -2.16 0.52 0.00 0.00 175.17 175.39 3gd3 s PRO 154 N 0.68 4.29 0.00 4.34 0.04 -1.22 -2.67 135.00 140.46 3gd3 s PRO 154 Ca 0.14 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3gd3 s PRO 154 Cb -0.22 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.84 3gd3 s PRO 154 CO -0.08 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.83 3gd3 n GLY 155 N 3.62 0.96 3.73 0.56 0.00 -1.24 -5.06 105.19 107.76 3gd3 n GLY 155 Ca 0.13 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3gd3 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gd3 s ALA 156 N -2.00 3.34 -0.48 4.61 0.00 -1.09 -4.18 121.76 121.96 3gd3 s ALA 156 Ca 0.00 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 3gd3 s ALA 156 Cb 0.00 -3.00 0.05 0.00 0.00 0.00 0.00 23.12 20.16 3gd3 s ALA 156 CO 0.00 -0.01 0.58 1.03 0.00 0.00 0.00 175.76 177.36 3gd3 s ARG 157 N 0.32 3.13 -0.22 0.00 0.52 -1.26 -2.80 118.95 118.64 3gd3 s ARG 157 Ca 0.39 -0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 54.76 3gd3 s ARG 157 Cb -0.20 -4.06 0.02 0.00 0.52 0.00 0.00 34.95 31.23 3gd3 s ARG 157 CO 0.22 -1.13 -0.12 0.08 0.02 0.00 0.00 175.30 174.37 3gd3 s VAL 158 N 2.52 2.60 -0.06 3.52 1.01 -0.57 -2.53 120.40 126.89 3gd3 s VAL 158 Ca 0.15 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 3gd3 s VAL 158 Cb -0.19 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3gd3 s VAL 158 CO 0.13 0.36 0.16 -0.22 0.00 0.00 0.00 175.10 175.52 3gd3 s LEU 159 N 1.32 4.34 -0.20 3.92 2.96 -0.95 0.50 118.68 130.57 3gd3 s LEU 159 Ca 0.02 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 3gd3 s LEU 159 Cb -0.15 -2.35 0.03 0.00 0.50 0.00 0.00 46.19 44.22 3gd3 s LEU 159 CO -0.08 0.33 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.49 3gd3 s ILE 160 N -1.18 2.02 -0.30 6.68 1.01 -0.01 -2.14 121.20 127.27 3gd3 s ILE 160 Ca 0.22 -1.10 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 3gd3 s ILE 160 Cb -0.12 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3gd3 s ILE 160 CO 0.12 0.36 0.29 -0.69 0.00 0.00 0.00 174.94 175.02 3gd3 s VAL 161 N 1.27 5.23 -0.06 2.92 1.01 -0.37 0.33 120.40 130.73 3gd3 s VAL 161 Ca 0.01 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3gd3 s VAL 161 Cb -0.15 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.58 3gd3 s VAL 161 CO -0.10 0.11 -0.03 -0.55 0.00 0.00 0.00 175.10 174.52 3gd3 s SER 162 N 1.71 1.33 -0.02 3.32 0.15 0.11 -0.63 113.70 119.67 3gd3 s SER 162 Ca 0.10 -0.14 -0.22 0.00 0.70 0.00 0.00 55.95 56.40 3gd3 s SER 162 Cb -0.16 -0.50 -0.14 0.00 -1.71 0.00 0.00 66.02 63.51 3gd3 s SER 162 CO 0.11 -0.11 0.95 -0.08 1.20 0.00 0.00 173.24 175.31 3gd3 h GLU 163 N 7.70 -0.48 -6.11 5.44 4.81 -1.62 0.19 114.58 124.50 3gd3 h GLU 163 Ca -0.30 0.03 -0.75 0.00 -0.13 0.00 0.00 59.36 58.21 3gd3 h GLU 163 Cb 1.14 0.11 0.05 0.00 0.63 0.00 0.00 28.75 30.68 3gd3 h GLU 163 CO 0.39 -0.18 0.25 -0.25 -0.73 0.00 0.00 179.01 178.49 3gd3 n ASP 164 N -5.13 0.73 0.00 1.04 9.92 -1.26 -2.86 116.55 118.99 3gd3 n ASP 164 Ca -0.09 1.14 0.04 0.00 -0.53 0.00 0.00 54.79 55.35 3gd3 n ASP 164 Cb 0.27 -1.03 0.20 0.00 -0.64 0.00 0.00 41.12 39.92 3gd3 n ASP 164 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3gd3 n PRO 165 N 2.05 0.11 -3.05 -0.24 -0.02 -1.26 -3.17 135.00 129.42 3gd3 n PRO 165 Ca 0.20 0.22 -0.32 0.00 -2.02 0.00 0.00 63.50 61.58 3gd3 n PRO 165 Cb 0.12 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 3gd3 n PRO 165 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3gd3 s GLU 166 N -2.60 3.91 0.84 -0.52 0.41 -1.26 -4.63 118.70 114.85 3gd3 s GLU 166 Ca 0.07 0.58 -0.11 0.00 -0.41 0.00 0.00 54.97 55.10 3gd3 s GLU 166 Cb 0.05 -2.43 0.10 0.00 -1.78 0.00 0.00 34.13 30.08 3gd3 s GLU 166 CO 0.12 0.10 1.10 -0.51 -0.49 0.00 0.00 175.26 175.58 3gd3 s LEU 167 N -3.28 2.75 0.07 1.80 1.43 -1.26 -4.90 118.68 115.29 3gd3 s LEU 167 Ca 0.53 1.82 -0.37 0.00 -1.03 0.00 0.00 54.13 55.08 3gd3 s LEU 167 Cb -0.10 -4.37 -0.18 0.00 0.03 0.00 0.00 46.19 41.58 3gd3 s LEU 167 CO 0.22 -2.46 1.23 -2.65 0.23 0.00 0.00 176.35 172.92 3gd3 n PRO 168 N -3.80 0.79 -3.67 1.29 -0.02 -1.26 -4.97 135.00 123.36 3gd3 n PRO 168 Ca 0.09 0.28 -0.15 0.00 -2.02 0.00 0.00 63.50 61.71 3gd3 n PRO 168 Cb 0.53 -1.86 -0.08 0.00 -0.02 0.00 0.00 33.50 32.07 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 0.25 -0.46 0.11 6.00 -0.85 -1.26 -2.78 117.35 118.36 3gd3 s TYR 169 Ca 0.85 0.94 -0.28 0.00 -0.52 0.00 0.00 57.07 58.05 3gd3 s TYR 169 Cb -1.04 0.22 -0.06 0.00 0.38 0.00 0.00 41.96 41.46 3gd3 s TYR 169 CO 0.50 -0.41 0.90 0.00 -1.52 0.00 0.00 175.55 175.03 3gd3 s MET 170 N -0.68 4.65 0.05 -3.49 0.00 -0.37 -4.64 119.30 114.83 3gd3 s MET 170 Ca -0.08 1.34 -0.15 0.00 0.00 0.00 0.00 55.69 56.80 3gd3 s MET 170 Cb -0.03 -3.36 -0.29 0.00 0.00 0.00 0.00 34.83 31.15 3gd3 s MET 170 CO 0.05 0.28 1.10 0.00 0.00 0.00 0.00 175.02 176.44 3gd3 h ARG 171 N 5.40 0.63 -0.82 3.16 3.08 -1.95 -3.40 114.38 120.47 3gd3 h ARG 171 Ca -0.44 -0.84 0.20 0.00 0.07 0.00 0.00 59.98 58.98 3gd3 h ARG 171 Cb 1.21 0.28 -0.14 0.00 0.08 0.00 0.00 29.97 31.39 3gd3 h ARG 171 CO 0.71 1.38 0.05 -1.35 -1.07 0.00 0.00 179.97 179.69 3gd3 h PRO 172 N 0.27 0.11 -0.12 0.04 0.11 -1.98 -0.64 132.00 129.79 3gd3 h PRO 172 Ca -0.19 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.95 3gd3 h PRO 172 Cb 1.91 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 33.00 3gd3 h PRO 172 CO 0.24 0.07 0.21 -1.35 -0.21 0.00 0.00 178.00 176.96 3gd3 h PRO 173 N 0.11 0.00 -0.81 1.05 0.11 -1.95 -2.30 132.00 128.21 3gd3 h PRO 173 Ca 0.47 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.68 3gd3 h PRO 173 Cb 0.88 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.93 3gd3 h PRO 173 CO -0.71 0.00 0.53 -0.07 -0.21 0.00 0.00 178.00 177.54 3gd3 h LEU 174 N 0.00 0.68 -3.28 2.35 3.38 -1.39 -2.33 115.31 114.73 3gd3 h LEU 174 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gd3 h LEU 174 Cb 0.48 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3gd3 h LEU 174 CO -0.00 0.40 0.00 -1.54 0.09 0.00 0.00 178.44 177.39 3gd3 n SER 175 N -4.51 4.05 0.00 -0.43 3.41 -0.87 -4.84 113.62 110.43 3gd3 n SER 175 Ca 0.14 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 3gd3 n SER 175 Cb 0.33 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 -0.35 0.00 0.25 4.33 5.02 -0.88 -4.39 118.16 122.14 3gd3 n LYS 176 Ca 0.22 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.63 3gd3 n LYS 176 Cb 0.91 0.00 0.65 0.00 -0.02 0.00 0.00 35.03 36.57 3gd3 n LYS 176 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gd3 h GLU 177 N 0.00 0.00 0.00 1.97 3.07 -1.80 -2.79 114.58 115.03 3gd3 h GLU 177 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 3gd3 h GLU 177 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3gd3 h GLU 177 CO 0.00 0.14 -0.60 -0.07 -1.40 0.00 0.00 179.01 177.08 3gd3 h LEU 178 N 0.00 0.00 0.15 1.33 3.38 -1.85 -3.24 115.31 115.08 3gd3 h LEU 178 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3gd3 h LEU 178 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3gd3 h LEU 178 CO 0.02 0.51 -1.29 -0.50 0.09 0.00 0.00 178.44 177.26 3gd3 h TRP 179 N 0.00 0.63 -0.60 1.13 4.06 -1.76 -3.30 115.95 116.12 3gd3 h TRP 179 Ca -0.02 -0.46 -0.72 0.00 2.06 0.00 0.00 58.89 59.75 3gd3 h TRP 179 Cb 1.40 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 29.46 3gd3 h TRP 179 CO 0.00 1.35 2.84 1.19 -3.56 0.00 0.00 178.44 180.26 3gd3 n PHE 180 N -3.59 2.97 -3.71 0.49 3.01 -1.22 -4.85 117.46 110.56 3gd3 n PHE 180 Ca -0.11 -2.92 -0.11 0.00 1.01 0.00 0.00 57.45 55.32 3gd3 n PHE 180 Cb 1.04 -2.24 -0.11 0.00 -0.01 0.00 0.00 39.48 38.16 3gd3 n PHE 180 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3gd3 s SER 181 N 1.82 -0.47 0.32 4.37 0.15 -1.25 -4.86 113.70 113.78 3gd3 s SER 181 Ca 0.51 0.84 0.19 0.00 0.70 0.00 0.00 55.95 58.18 3gd3 s SER 181 Cb 0.14 0.75 0.15 0.00 -1.71 0.00 0.00 66.02 65.35 3gd3 s SER 181 CO -0.06 -0.18 1.43 0.44 1.20 0.00 0.00 173.24 176.08 3gd3 h ASP 182 N 6.75 0.00 -3.05 5.45 3.32 -1.91 -3.46 116.42 123.52 3gd3 h ASP 182 Ca -0.35 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.13 3gd3 h ASP 182 Cb 1.18 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.67 3gd3 h ASP 182 CO 0.29 0.28 0.82 -0.62 -1.72 0.00 0.00 179.24 178.29 3gd3 s ASP 183 N -6.23 7.07 0.60 6.45 2.15 -1.26 -4.91 116.67 120.54 3gd3 s ASP 183 Ca 0.04 1.44 0.37 0.00 0.43 0.00 0.00 52.55 54.84 3gd3 s ASP 183 Cb 0.07 -2.54 1.82 0.00 -0.30 0.00 0.00 42.92 41.97 3gd3 s ASP 183 CO 0.73 -0.69 2.16 1.55 -0.17 0.00 0.00 175.17 178.75 3gd3 h PRO 184 N 7.59 0.00 -0.57 4.34 0.13 -2.02 -1.97 132.00 139.49 3gd3 h PRO 184 Ca -0.20 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.88 3gd3 h PRO 184 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 3gd3 h PRO 184 CO 0.98 0.02 0.16 -0.91 -0.23 0.00 0.00 178.00 178.01 3gd3 h ASN 185 N 0.00 0.82 -0.93 1.44 2.35 -2.00 -3.27 115.58 113.98 3gd3 h ASN 185 Ca -0.00 -0.14 0.27 0.00 -0.55 0.00 0.00 56.30 55.87 3gd3 h ASN 185 Cb 0.28 -0.21 -0.14 0.00 0.05 0.00 0.00 38.32 38.29 3gd3 h ASN 185 CO 0.00 0.79 0.37 0.58 -1.65 0.00 0.00 177.43 177.52 3gd3 h VAL 186 N 0.85 0.32 -0.73 2.81 2.07 -1.65 1.18 116.25 121.10 3gd3 h VAL 186 Ca 0.19 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.71 3gd3 h VAL 186 Cb 0.28 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 3gd3 h VAL 186 CO -0.00 0.05 0.48 0.74 0.02 0.00 0.00 177.57 178.86 3gd3 h THR 187 N 0.27 0.92 0.00 2.57 2.02 -1.74 0.48 112.91 117.44 3gd3 h THR 187 Ca 0.62 -0.21 -0.19 0.00 0.77 0.00 0.00 66.41 67.40 3gd3 h THR 187 Cb 1.32 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3gd3 h THR 187 CO -0.63 0.11 -1.09 0.11 0.37 0.00 0.00 175.52 174.39 3gd3 h LYS 188 N 0.61 0.00 -0.20 6.66 1.57 0.11 -3.40 116.57 121.92 3gd3 h LYS 188 Ca 0.34 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.92 3gd3 h LYS 188 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3gd3 h LYS 188 CO -0.12 0.91 -0.66 1.79 -0.57 0.00 0.00 179.45 180.80 3gd3 h THR 189 N -1.00 1.29 0.00 -0.16 1.35 -0.66 -3.47 112.91 110.26 3gd3 h THR 189 Ca -0.29 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 3gd3 h THR 189 Cb 1.21 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3gd3 h THR 189 CO -0.18 0.60 0.00 0.18 -0.25 0.00 0.00 175.52 175.87 3gd3 n LEU 190 N -3.96 0.36 -4.63 3.87 4.32 0.17 -4.96 117.00 112.17 3gd3 n LEU 190 Ca -0.06 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.51 3gd3 n LEU 190 Cb 0.68 -1.01 -0.02 0.00 -1.62 0.00 0.00 43.42 41.45 3gd3 n LEU 190 CO 0.51 -0.30 1.19 -1.10 -1.22 0.00 0.00 177.39 176.47 3gd3 s GLN 191 N -0.60 3.86 0.58 3.23 -1.52 -1.26 -3.65 119.66 120.30 3gd3 s GLN 191 Ca 0.00 1.31 0.08 0.00 -1.95 0.00 0.00 55.36 54.81 3gd3 s GLN 191 Cb 0.00 -3.92 0.08 0.00 -0.22 0.00 0.00 33.01 28.95 3gd3 s GLN 191 CO 0.00 -1.19 0.68 1.97 -0.25 0.00 0.00 175.29 176.50 3gd3 n PHE 192 N 7.89 -1.68 -4.42 0.91 -1.74 -0.10 -4.75 117.46 113.57 3gd3 n PHE 192 Ca 0.16 -2.24 -0.33 0.00 -0.56 0.00 0.00 57.45 54.48 3gd3 n PHE 192 Cb 0.46 -0.53 -0.16 0.00 1.52 0.00 0.00 39.48 40.78 3gd3 n PHE 192 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3gd3 s ARG 193 N -4.55 3.04 0.92 3.97 1.81 -1.26 -0.51 118.95 122.36 3gd3 s ARG 193 Ca 0.52 -0.83 -0.11 0.00 -1.72 0.00 0.00 55.73 53.59 3gd3 s ARG 193 Cb -0.04 -2.53 0.14 0.00 -0.45 0.00 0.00 34.95 32.07 3gd3 s ARG 193 CO 0.33 -0.09 1.10 -0.65 -0.68 0.00 0.00 175.30 175.30 3gd3 s GLN 194 N 1.02 1.08 0.58 3.54 -0.21 -1.13 -4.78 119.66 119.75 3gd3 s GLN 194 Ca -0.02 1.06 0.38 0.00 0.02 0.00 0.00 55.36 56.81 3gd3 s GLN 194 Cb -0.14 -1.77 2.01 0.00 1.00 0.00 0.00 33.01 34.11 3gd3 s GLN 194 CO -0.06 -2.43 2.17 -1.49 -2.12 0.00 0.00 175.29 171.36 3gd3 h TRP 195 N -1.70 0.00 -0.19 0.91 4.06 -1.91 0.17 115.95 117.29 3gd3 h TRP 195 Ca -0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.46 3gd3 h TRP 195 Cb 1.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.44 3gd3 h TRP 195 CO 0.45 0.00 0.00 0.27 -3.56 0.00 0.00 178.44 175.60 3gd3 n ASN 196 N -2.91 1.53 -0.29 -3.49 6.94 -1.26 -4.92 115.26 110.86 3gd3 n ASN 196 Ca -0.02 -1.75 -0.03 0.00 -0.02 0.00 0.00 54.58 52.76 3gd3 n ASN 196 Cb 0.10 -0.12 -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 1.07 0.37 3.42 4.83 0.00 0.60 -5.00 105.19 110.48 3gd3 n GLY 197 Ca 0.15 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 3gd3 n GLY 197 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gd3 s LYS 198 N -3.52 3.47 0.30 1.61 2.20 -1.25 -4.90 119.74 117.66 3gd3 s LYS 198 Ca 0.00 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.71 3gd3 s LYS 198 Cb 0.00 -3.39 -0.12 0.00 -1.51 0.00 0.00 37.83 32.81 3gd3 s LYS 198 CO 0.00 -0.29 1.50 0.39 -0.36 0.00 0.00 175.35 176.59 3gd3 n GLU 199 N 4.93 2.49 -4.12 4.03 1.02 -1.26 -2.84 120.64 124.89 3gd3 n GLU 199 Ca -0.15 0.88 -0.11 0.00 -0.02 0.00 0.00 57.16 57.76 3gd3 n GLU 199 Cb 0.50 -2.60 -0.09 0.00 -0.02 0.00 0.00 31.44 29.23 3gd3 n GLU 199 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3gd3 s ARG 200 N -0.96 1.20 -0.12 3.49 3.52 0.33 -4.96 118.95 121.45 3gd3 s ARG 200 Ca 0.62 -1.46 -0.01 0.00 -0.13 0.00 0.00 55.73 54.74 3gd3 s ARG 200 Cb -0.53 0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 33.15 3gd3 s ARG 200 CO 0.53 -0.41 -0.07 0.45 -0.81 0.00 0.00 175.30 174.99 3gd3 s SER 201 N -3.09 4.58 0.41 -2.12 0.15 -1.26 -0.92 113.70 111.45 3gd3 s SER 201 Ca 0.30 -0.13 0.09 0.00 0.70 0.00 0.00 55.95 56.91 3gd3 s SER 201 Cb 0.05 -1.52 0.86 0.00 -1.71 0.00 0.00 66.02 63.71 3gd3 s SER 201 CO 0.08 0.24 2.01 -0.29 1.20 0.00 0.00 173.24 176.48 3gd3 h ILE 202 N 4.86 1.12 -3.88 6.45 6.09 -1.93 -3.43 117.51 126.80 3gd3 h ILE 202 Ca -0.36 -0.39 -0.47 0.00 -1.37 0.00 0.00 64.86 62.26 3gd3 h ILE 202 Cb 1.19 0.81 -0.02 0.00 0.47 0.00 0.00 36.82 39.27 3gd3 h ILE 202 CO 0.57 0.15 0.35 -0.31 -3.07 0.00 0.00 178.15 175.84 3gd3 s TYR 203 N -5.17 3.69 0.04 2.19 2.02 -1.26 -1.23 117.35 117.62 3gd3 s TYR 203 Ca -0.07 1.79 -0.24 0.00 -0.37 0.00 0.00 57.07 58.17 3gd3 s TYR 203 Cb 0.17 -2.95 -0.17 0.00 -0.40 0.00 0.00 41.96 38.60 3gd3 s TYR 203 CO 0.73 0.17 1.53 0.74 -1.57 0.00 0.00 175.55 177.14 3gd3 h PHE 204 N 3.23 -0.02 -3.58 2.71 0.04 -1.80 -3.46 116.94 114.07 3gd3 h PHE 204 Ca -0.47 -0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.13 3gd3 h PHE 204 Cb 1.19 0.01 -0.23 0.00 2.20 0.00 0.00 35.95 39.12 3gd3 h PHE 204 CO 0.61 0.20 -0.57 -0.65 -0.60 0.00 0.00 178.31 177.30 3gd3 s GLN 205 N -5.33 0.31 1.05 1.51 -1.52 -1.26 -5.09 119.66 109.32 3gd3 s GLN 205 Ca -0.14 -0.21 -0.12 0.00 -1.95 0.00 0.00 55.36 52.93 3gd3 s GLN 205 Cb 0.04 0.13 0.22 0.00 -0.22 0.00 0.00 33.01 33.18 3gd3 s GLN 205 CO 0.66 -0.06 1.07 -1.25 -0.25 0.00 0.00 175.29 175.46 3gd3 s PRO 206 N -0.82 -0.03 0.49 2.91 0.04 -1.26 -4.88 135.00 131.46 3gd3 s PRO 206 Ca -0.09 1.04 0.14 0.00 0.04 0.00 0.00 61.00 62.13 3gd3 s PRO 206 Cb -0.05 -1.64 1.16 0.00 0.04 0.00 0.00 34.50 34.00 3gd3 s PRO 206 CO 0.01 -3.18 2.11 -1.35 0.04 0.00 0.00 177.00 174.62 3gd3 h PRO 207 N -2.24 0.16 0.00 0.56 0.11 -2.02 -0.56 132.00 128.00 3gd3 h PRO 207 Ca -0.54 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3gd3 h PRO 207 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gd3 h PRO 207 CO 0.48 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.25 3gd3 n SER 208 N -4.51 0.00 0.11 -2.05 3.41 -1.26 -1.12 113.62 108.20 3gd3 n SER 208 Ca -0.00 -0.50 -0.04 0.00 -0.26 0.00 0.00 58.87 58.07 3gd3 n SER 208 Cb 0.12 -0.04 0.11 0.00 -0.26 0.00 0.00 64.21 64.14 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 0.13 -2.98 7.33 3.57 -1.43 -3.46 116.94 120.09 3gd3 h PHE 209 Ca 0.00 -0.06 -0.67 0.00 3.53 0.00 0.00 57.97 60.78 3gd3 h PHE 209 Cb 0.02 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.64 3gd3 h PHE 209 CO 0.00 0.75 -0.55 0.71 -2.23 0.00 0.00 178.31 176.99 3gd3 s TYR 210 N -3.52 3.38 0.76 0.41 2.02 -0.27 -4.79 117.35 115.33 3gd3 s TYR 210 Ca -0.02 0.33 -0.09 0.00 -0.37 0.00 0.00 57.07 56.92 3gd3 s TYR 210 Cb 0.12 -1.83 0.07 0.00 -0.40 0.00 0.00 41.96 39.92 3gd3 s TYR 210 CO 0.79 0.60 1.09 0.14 -1.57 0.00 0.00 175.55 176.60 3gd3 s VAL 211 N -1.06 2.15 0.55 0.71 -7.23 -1.08 -5.01 120.40 109.43 3gd3 s VAL 211 Ca 0.18 -0.15 0.06 0.00 -1.81 0.00 0.00 61.98 60.26 3gd3 s VAL 211 Cb -0.12 -3.00 0.05 0.00 0.56 0.00 0.00 36.38 33.87 3gd3 s VAL 211 CO 0.07 0.00 0.47 -0.94 -0.31 0.00 0.00 175.10 174.40 3gd3 s SER 212 N -4.55 4.70 0.30 4.85 1.04 -1.26 -3.99 113.70 114.79 3gd3 s SER 212 Ca 0.61 -1.19 0.16 0.00 0.48 0.00 0.00 55.95 56.01 3gd3 s SER 212 Cb -0.11 0.43 0.25 0.00 0.10 0.00 0.00 66.02 66.69 3gd3 s SER 212 CO 0.47 -1.16 1.53 0.00 0.98 0.00 0.00 173.24 175.05 3gd3 h ALA 213 N 0.64 0.75 -0.38 5.32 0.00 -1.95 -0.95 119.26 122.70 3gd3 h ALA 213 Ca -0.35 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 3gd3 h ALA 213 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3gd3 h ALA 213 CO 0.54 0.60 -0.36 0.37 0.00 0.00 0.00 179.25 180.40 3gd3 h GLN 214 N 0.00 0.88 -0.00 0.00 5.75 -1.96 -3.33 115.11 116.45 3gd3 h GLN 214 Ca -0.00 -0.45 -0.00 0.00 -0.15 0.00 0.00 58.65 58.04 3gd3 h GLN 214 Cb 1.25 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.81 3gd3 h GLN 214 CO 0.06 1.10 -0.01 -0.44 -2.65 0.00 0.00 178.83 176.89 3gd3 h ASP 215 N 0.73 0.01 -0.85 -0.69 3.32 -1.89 -3.41 116.42 113.64 3gd3 h ASP 215 Ca 0.07 -0.67 0.11 0.00 0.02 0.00 0.00 57.03 56.55 3gd3 h ASP 215 Cb 0.94 -0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.36 3gd3 h ASP 215 CO 0.09 0.68 -0.40 -0.11 -1.72 0.00 0.00 179.24 177.78 3gd3 n LEU 216 N -4.76 -0.70 0.17 1.55 7.94 -0.39 0.25 117.00 121.05 3gd3 n LEU 216 Ca -0.09 1.49 0.07 0.00 -1.11 0.00 0.00 56.01 56.37 3gd3 n LEU 216 Cb 0.34 -0.28 0.40 0.00 0.53 0.00 0.00 43.42 44.41 3gd3 n LEU 216 CO 0.34 -1.28 0.81 -2.65 -1.11 0.00 0.00 177.39 173.49 3gd3 n PRO 217 N -5.16 0.10 0.00 1.96 -0.02 -1.26 -3.54 135.00 127.07 3gd3 n PRO 217 Ca 0.06 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3gd3 n PRO 217 Cb 0.29 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3gd3 n PRO 217 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gd3 n ASN 218 N -2.09 2.90 -4.75 2.55 3.02 0.14 -5.10 115.26 111.93 3gd3 n ASN 218 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 3gd3 n ASN 218 Cb 0.28 0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.69 3gd3 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gd3 n ILE 219 N -1.58 2.44 -1.62 2.41 3.06 -0.71 -4.86 119.36 118.50 3gd3 n ILE 219 Ca 0.00 -0.50 -0.57 0.00 -2.50 0.00 0.00 62.75 59.18 3gd3 n ILE 219 Cb 0.30 -1.82 -0.07 0.00 0.54 0.00 0.00 39.64 38.59 3gd3 n ILE 219 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3gd3 n GLU 220 N 0.11 0.77 -2.11 9.51 1.02 -1.26 -1.97 120.64 126.70 3gd3 n GLU 220 Ca 0.04 0.28 -0.21 0.00 -0.02 0.00 0.00 57.16 57.25 3gd3 n GLU 220 Cb 0.40 -1.89 -0.04 0.00 -0.02 0.00 0.00 31.44 29.90 3gd3 n GLU 220 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gd3 n ASN 221 N 3.24 -5.73 0.00 1.62 4.13 -1.26 -4.82 115.26 112.44 3gd3 n ASN 221 Ca 0.22 0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.65 3gd3 n ASN 221 Cb 0.12 -4.84 0.00 0.00 -1.54 0.00 0.00 39.78 33.52 3gd3 n ASN 221 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gd3 n GLY 222 N -0.82 3.44 0.00 7.41 0.00 -0.83 -3.73 105.19 110.66 3gd3 n GLY 222 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.91 3.48 -0.02 0.00 -1.12 -4.87 105.19 103.56 3gd3 n GLY 223 Ca 0.00 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.16 5.07 0.16 1.61 1.01 -1.26 -1.51 120.40 124.33 3gd3 s VAL 224 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3gd3 s VAL 224 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3gd3 s VAL 224 CO 0.00 -0.10 0.24 0.00 0.00 0.00 0.00 175.10 175.24 3gd3 s ALA 225 N 1.67 3.83 -0.03 5.51 0.00 0.18 -2.64 121.76 130.27 3gd3 s ALA 225 Ca 0.05 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 3gd3 s ALA 225 Cb -0.18 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.34 3gd3 s ALA 225 CO 0.09 0.50 0.04 0.54 0.00 0.00 0.00 175.76 176.94 3gd3 s VAL 226 N -1.77 -0.06 -0.41 0.00 0.11 -1.26 -0.83 120.40 116.19 3gd3 s VAL 226 Ca 0.33 0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 59.68 3gd3 s VAL 226 Cb -0.11 -0.14 0.11 0.00 -1.53 0.00 0.00 36.38 34.72 3gd3 s VAL 226 CO 0.27 0.14 0.19 -0.22 -3.33 0.00 0.00 175.10 172.14 3gd3 s LEU 227 N 1.62 5.15 0.44 2.54 0.20 0.15 -4.77 118.68 124.01 3gd3 s LEU 227 Ca -0.02 -2.11 -0.01 0.00 0.69 0.00 0.00 54.13 52.69 3gd3 s LEU 227 Cb -0.13 -1.79 -0.02 0.00 -0.43 0.00 0.00 46.19 43.83 3gd3 s LEU 227 CO -0.03 -0.50 0.67 0.42 -0.29 0.00 0.00 176.35 176.62 3gd3 s THR 228 N 1.02 4.41 -1.47 3.68 -4.23 -1.26 0.05 115.64 117.85 3gd3 s THR 228 Ca 0.09 -0.36 -0.13 0.00 -1.18 0.00 0.00 61.69 60.12 3gd3 s THR 228 Cb -0.22 -3.64 0.10 0.00 1.34 0.00 0.00 72.50 70.08 3gd3 s THR 228 CO -0.05 -0.48 0.71 0.61 -0.54 0.00 0.00 174.62 174.88 3gd3 n GLY 229 N -2.06 -0.48 2.98 3.99 0.00 0.49 -4.87 105.19 105.25 3gd3 n GLY 229 Ca -0.00 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.40 0.49 -0.06 1.61 -0.14 -0.22 -4.94 119.74 110.08 3gd3 s LYS 230 Ca 0.56 -0.29 0.04 0.00 -1.36 0.00 0.00 55.97 54.92 3gd3 s LYS 230 Cb -0.29 -0.45 0.00 0.00 -1.68 0.00 0.00 37.83 35.41 3gd3 s LYS 230 CO 0.69 0.12 -0.19 0.21 -0.76 0.00 0.00 175.35 175.42 3gd3 s LYS 231 N -0.34 2.17 -0.29 1.68 2.20 -1.26 -1.81 119.74 122.08 3gd3 s LYS 231 Ca 0.01 -0.67 -0.28 0.00 -0.36 0.00 0.00 55.97 54.67 3gd3 s LYS 231 Cb -0.03 -1.78 0.01 0.00 -1.51 0.00 0.00 37.83 34.52 3gd3 s LYS 231 CO -0.00 0.20 1.01 0.08 -0.36 0.00 0.00 175.35 176.28 3gd3 s VAL 232 N 0.23 4.60 -0.93 4.02 1.01 -1.26 0.19 120.40 128.26 3gd3 s VAL 232 Ca -0.10 1.71 0.09 0.00 0.00 0.00 0.00 61.98 63.68 3gd3 s VAL 232 Cb -0.14 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 31.93 3gd3 s VAL 232 CO 0.04 -0.36 0.67 1.33 0.00 0.00 0.00 175.10 176.79 3gd3 n VAL 233 N 5.67 0.00 -3.62 2.92 0.24 0.53 -4.92 118.33 119.16 3gd3 n VAL 233 Ca 0.10 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 3gd3 n VAL 233 Cb 0.47 1.14 -0.07 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.96 -0.66 -0.16 6.34 2.46 -1.14 -4.92 115.29 116.24 3gd3 s HIS 234 Ca 0.09 1.57 -0.01 0.00 0.47 0.00 0.00 55.06 57.18 3gd3 s HIS 234 Cb 0.07 0.32 0.04 0.00 -0.13 0.00 0.00 32.58 32.88 3gd3 s HIS 234 CO 0.16 -0.35 -0.03 -1.17 -2.47 0.00 0.00 174.74 170.88 3gd3 s LEU 235 N 0.16 1.38 -0.40 8.88 2.96 -1.26 -1.48 118.68 128.91 3gd3 s LEU 235 Ca 0.00 -0.61 -0.13 0.00 -0.22 0.00 0.00 54.13 53.17 3gd3 s LEU 235 Cb -0.04 -0.78 0.03 0.00 0.50 0.00 0.00 46.19 45.89 3gd3 s LEU 235 CO -0.01 -0.21 0.27 -0.62 -1.32 0.00 0.00 176.35 174.47 3gd3 s ASP 236 N 1.72 5.97 -0.00 3.68 3.68 -0.42 -3.41 116.67 127.89 3gd3 s ASP 236 Ca 0.01 -0.98 -0.24 0.00 2.13 0.00 0.00 52.55 53.47 3gd3 s ASP 236 Cb -0.15 -2.11 -0.15 0.00 -1.45 0.00 0.00 42.92 39.06 3gd3 s ASP 236 CO -0.07 -0.44 1.08 0.58 0.13 0.00 0.00 175.17 176.45 3gd3 h VAL 237 N 5.74 0.38 -0.62 1.11 2.07 -1.82 -1.42 116.25 121.69 3gd3 h VAL 237 Ca -0.26 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3gd3 h VAL 237 Cb 1.11 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3gd3 h VAL 237 CO 0.72 0.07 0.38 0.03 0.02 0.00 0.00 177.57 178.78 3gd3 h ARG 238 N -0.98 0.84 -0.60 1.57 3.08 -1.93 -1.12 114.38 115.23 3gd3 h ARG 238 Ca -0.06 -0.07 0.17 0.00 0.07 0.00 0.00 59.98 60.09 3gd3 h ARG 238 Cb 0.57 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3gd3 h ARG 238 CO 0.10 0.59 0.44 0.78 -1.07 0.00 0.00 179.97 180.81 3gd3 h GLY 239 N 0.84 0.00 -5.45 0.04 0.00 -1.97 -3.45 103.07 93.07 3gd3 h GLY 239 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.18 3gd3 h GLY 239 CO -0.04 0.00 -0.62 0.70 0.00 0.00 0.00 176.54 176.57 3gd3 n ASN 240 N -4.33 -6.05 -3.87 0.19 3.02 -0.43 -4.82 115.26 98.98 3gd3 n ASN 240 Ca 0.11 -0.50 -0.09 0.00 -0.03 0.00 0.00 54.58 54.08 3gd3 n ASN 240 Cb 0.68 -4.67 -0.08 0.00 -0.61 0.00 0.00 39.78 35.10 3gd3 n ASN 240 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gd3 s MET 241 N -6.21 0.76 0.37 3.52 0.23 -0.92 0.20 119.30 117.24 3gd3 s MET 241 Ca 0.54 -0.83 0.05 0.00 -1.03 0.00 0.00 55.69 54.42 3gd3 s MET 241 Cb -0.24 0.31 -0.06 0.00 -1.53 0.00 0.00 34.83 33.31 3gd3 s MET 241 CO 0.67 -0.23 0.04 0.14 -2.03 0.00 0.00 175.02 173.62 3gd3 s VAL 242 N -3.28 1.41 -0.01 5.16 -7.23 0.51 -1.30 120.40 115.66 3gd3 s VAL 242 Ca 0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 3gd3 s VAL 242 Cb 0.02 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 3gd3 s VAL 242 CO -0.08 0.00 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.07 3gd3 s LYS 243 N -3.82 0.84 0.30 4.82 1.02 -0.55 -2.35 119.74 119.99 3gd3 s LYS 243 Ca 0.33 -0.37 0.06 0.00 0.02 0.00 0.00 55.97 56.02 3gd3 s LYS 243 Cb 0.08 -0.81 -0.02 0.00 -0.52 0.00 0.00 37.83 36.56 3gd3 s LYS 243 CO 0.16 0.22 0.36 -0.51 -0.92 0.00 0.00 175.35 174.65 3gd3 s LEU 244 N -0.23 3.96 0.51 3.17 1.43 -0.79 -0.34 118.68 126.39 3gd3 s LEU 244 Ca 0.04 -0.20 0.37 0.00 -1.03 0.00 0.00 54.13 53.31 3gd3 s LEU 244 Cb -0.04 -2.60 1.52 0.00 0.03 0.00 0.00 46.19 45.10 3gd3 s LEU 244 CO -0.00 -0.25 1.72 -0.55 0.23 0.00 0.00 176.35 177.50 3gd3 h ASN 245 N 1.14 0.09 -0.24 2.29 7.08 -0.60 0.56 115.58 125.90 3gd3 h ASN 245 Ca -0.48 0.03 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 3gd3 h ASN 245 Cb 1.25 0.02 0.00 0.00 -2.08 0.00 0.00 38.32 37.50 3gd3 h ASN 245 CO 0.57 -0.01 0.00 -0.90 -2.08 0.00 0.00 177.43 175.01 3gd3 n ASP 246 N -4.25 2.02 0.00 6.14 5.75 -1.26 -4.88 116.55 120.07 3gd3 n ASP 246 Ca 0.31 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 3gd3 n ASP 246 Cb 1.40 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 41.13 3gd3 n ASP 246 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gd3 n GLY 247 N 0.60 0.73 3.75 6.12 0.00 0.19 -4.99 105.19 111.58 3gd3 n GLY 247 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.68 7.24 -0.17 1.61 1.04 -1.25 -4.83 113.70 114.66 3gd3 s SER 248 Ca 0.00 1.48 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 3gd3 s SER 248 Cb 0.00 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 3gd3 s SER 248 CO 0.00 0.02 0.10 -1.58 0.98 0.00 0.00 173.24 172.77 3gd3 s GLN 249 N -0.12 3.85 -0.14 4.02 0.74 -1.26 -1.89 119.66 124.86 3gd3 s GLN 249 Ca 0.39 -0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.57 3gd3 s GLN 249 Cb -0.21 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.65 3gd3 s GLN 249 CO 0.24 0.44 -0.19 0.42 -0.55 0.00 0.00 175.29 175.65 3gd3 s ILE 250 N -0.08 2.34 -0.01 -2.34 1.01 -0.99 -4.64 121.20 116.48 3gd3 s ILE 250 Ca 0.09 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 3gd3 s ILE 250 Cb -0.12 -1.95 -0.06 0.00 0.01 0.00 0.00 42.46 40.34 3gd3 s ILE 250 CO 0.00 0.54 0.44 0.42 0.00 0.00 0.00 174.94 176.34 3gd3 s THR 251 N 0.73 5.02 0.07 2.92 -4.23 0.55 -0.36 115.64 120.35 3gd3 s THR 251 Ca -0.08 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 3gd3 s THR 251 Cb -0.16 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.93 3gd3 s THR 251 CO 0.01 0.53 0.01 2.22 -0.54 0.00 0.00 174.62 176.85 3gd3 n PHE 252 N 2.16 -0.23 0.00 3.99 1.16 0.52 -1.32 117.46 123.74 3gd3 n PHE 252 Ca -0.12 -0.34 0.00 0.00 -1.87 0.00 0.00 57.45 55.12 3gd3 n PHE 252 Cb 0.52 -0.05 0.00 0.00 -1.61 0.00 0.00 39.48 38.34 3gd3 n PHE 252 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3gd3 n GLU 253 N -0.31 0.00 -4.40 3.97 1.02 -0.75 -4.85 120.64 115.32 3gd3 n GLU 253 Ca -0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.89 3gd3 n GLU 253 Cb 0.09 -0.47 -0.16 0.00 -0.02 0.00 0.00 31.44 30.87 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 -1.73 1.33 0.07 3.49 -0.14 0.69 -4.79 119.74 118.66 3gd3 s LYS 254 Ca 0.00 -0.28 0.09 0.00 -1.36 0.00 0.00 55.97 54.41 3gd3 s LYS 254 Cb 0.00 -1.17 -0.03 0.00 -1.68 0.00 0.00 37.83 34.95 3gd3 s LYS 254 CO 0.00 -0.02 -0.21 0.00 -0.76 0.00 0.00 175.35 174.36 3gd3 s LEU 256 N -1.64 2.03 -0.36 0.00 2.96 -0.31 -2.03 118.68 119.33 3gd3 s LEU 256 Ca 0.15 -0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 53.61 3gd3 s LEU 256 Cb -0.10 -0.96 0.02 0.00 0.50 0.00 0.00 46.19 45.65 3gd3 s LEU 256 CO 0.06 0.22 0.20 -0.63 -1.32 0.00 0.00 176.35 174.88 3gd3 s ILE 257 N -0.41 4.62 -0.46 6.68 1.01 0.32 -1.79 121.20 131.17 3gd3 s ILE 257 Ca 0.06 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 60.02 3gd3 s ILE 257 Cb -0.07 -3.53 0.22 0.00 0.01 0.00 0.00 42.46 39.08 3gd3 s ILE 257 CO -0.01 -0.18 0.49 0.00 0.00 0.00 0.00 174.94 175.24 3gd3 n ALA 258 N 5.00 2.87 1.24 9.38 0.00 -0.97 -0.31 120.51 137.73 3gd3 n ALA 258 Ca -0.12 -3.58 0.13 0.00 0.00 0.00 0.00 53.44 49.87 3gd3 n ALA 258 Cb 0.47 -0.82 0.34 0.00 0.00 0.00 0.00 19.45 19.44 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 1.86 0.00 -2.95 0.00 -2.24 -1.25 -4.33 114.28 105.38 3gd3 n THR 259 Ca 0.25 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3gd3 n THR 259 Cb 0.48 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3gd3 n THR 259 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gd3 n GLY 260 N 1.33 1.36 3.30 3.38 0.00 -1.26 -4.71 105.19 108.58 3gd3 n GLY 260 Ca 0.13 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 3gd3 n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 261 N 0.00 2.92 3.33 -0.02 0.00 -1.26 -0.69 105.19 109.47 3gd3 n GLY 261 Ca 0.00 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 3gd3 n GLY 261 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gd3 s THR 262 N -3.36 2.74 0.20 2.61 2.01 0.23 -4.77 115.64 115.31 3gd3 s THR 262 Ca 0.39 -0.78 -0.32 0.00 0.31 0.00 0.00 61.69 61.29 3gd3 s THR 262 Cb 0.02 -2.12 -0.12 0.00 0.01 0.00 0.00 72.50 70.29 3gd3 s THR 262 CO 0.27 0.54 1.74 -2.65 -0.69 0.00 0.00 174.62 173.83 3gd3 n PRO 263 N 3.42 2.80 -1.69 4.92 -0.02 -1.26 0.07 135.00 143.24 3gd3 n PRO 263 Ca -0.18 1.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 3gd3 n PRO 263 Cb 0.53 -2.87 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 3gd3 n PRO 263 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gd3 n ARG 264 N 4.14 2.72 -2.74 -0.52 1.74 -1.18 -4.80 116.66 116.04 3gd3 n ARG 264 Ca 0.16 0.99 -0.40 0.00 -0.77 0.00 0.00 57.85 57.83 3gd3 n ARG 264 Cb 0.35 -2.87 -0.05 0.00 -1.02 0.00 0.00 32.46 28.87 3gd3 n ARG 264 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gd3 s SER 265 N 2.43 7.59 -0.10 0.55 1.04 -1.26 -4.44 113.70 119.51 3gd3 s SER 265 Ca 0.81 1.90 -0.30 0.00 0.48 0.00 0.00 55.95 58.85 3gd3 s SER 265 Cb -0.51 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 62.98 3gd3 s SER 265 CO 0.37 0.07 1.32 -0.22 0.98 0.00 0.00 173.24 175.76 3gd3 s LEU 266 N -0.76 4.24 0.37 2.42 2.96 -1.26 -4.91 118.68 121.74 3gd3 s LEU 266 Ca 0.43 1.85 0.10 0.00 -0.22 0.00 0.00 54.13 56.29 3gd3 s LEU 266 Cb -0.25 -3.55 0.85 0.00 0.50 0.00 0.00 46.19 43.75 3gd3 s LEU 266 CO 0.31 -0.73 1.90 -1.28 -1.32 0.00 0.00 176.35 175.23 3gd3 h SER 267 N 8.13 0.60 -0.70 3.68 0.87 -1.98 0.87 113.55 125.02 3gd3 h SER 267 Ca -0.32 0.03 0.18 0.00 -1.23 0.00 0.00 61.79 60.45 3gd3 h SER 267 Cb 1.14 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 3gd3 h SER 267 CO 0.94 0.33 0.49 0.00 -0.53 0.00 0.00 176.83 178.05 3gd3 h ALA 268 N 1.61 2.43 0.02 6.23 0.00 -1.91 -2.49 119.26 125.15 3gd3 h ALA 268 Ca 0.40 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.99 3gd3 h ALA 268 Cb 0.64 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3gd3 h ALA 268 CO -0.16 -0.63 -1.74 0.82 0.00 0.00 0.00 179.25 177.54 3gd3 h ILE 269 N 0.16 0.83 -0.24 0.00 2.04 -1.22 -3.24 117.51 115.84 3gd3 h ILE 269 Ca 0.34 -2.65 -0.09 0.00 1.00 0.00 0.00 64.86 63.46 3gd3 h ILE 269 Cb 1.11 2.45 -0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3gd3 h ILE 269 CO -0.05 0.57 -0.20 0.44 0.00 0.00 0.00 178.15 178.91 3gd3 h ASP 270 N 0.01 0.59 0.56 1.72 5.19 -1.30 -2.70 116.42 120.50 3gd3 h ASP 270 Ca -0.30 -0.46 0.00 0.00 -0.62 0.00 0.00 57.03 55.65 3gd3 h ASP 270 Cb 2.01 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 41.36 3gd3 h ASP 270 CO 0.08 0.93 0.00 0.54 -3.12 0.00 0.00 179.24 177.67 3gd3 n ARG 271 N -4.40 0.31 -2.19 3.56 1.74 -0.97 -4.81 116.66 109.90 3gd3 n ARG 271 Ca -0.05 0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 3gd3 n ARG 271 Cb 0.41 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.64 2.93 0.84 7.54 0.00 -1.02 -5.06 121.76 124.35 3gd3 s ALA 272 Ca 0.23 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 3gd3 s ALA 272 Cb 0.18 -2.53 0.10 0.00 0.00 0.00 0.00 23.12 20.87 3gd3 s ALA 272 CO 0.41 -1.80 1.17 0.20 0.00 0.00 0.00 175.76 175.74 3gd3 s GLY 273 N -4.72 1.92 0.57 0.00 0.00 -1.26 -4.89 107.32 98.94 3gd3 s GLY 273 Ca 0.67 0.68 0.26 0.00 0.00 0.00 0.00 44.72 46.33 3gd3 s GLY 273 CO 0.48 1.09 2.22 0.00 0.00 0.00 0.00 173.10 176.89 3gd3 h ALA 274 N -1.28 1.66 0.17 3.20 0.00 -1.94 -2.84 119.26 118.23 3gd3 h ALA 274 Ca -0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3gd3 h ALA 274 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gd3 h ALA 274 CO 0.45 0.00 -0.08 0.93 0.00 0.00 0.00 179.25 180.56 3gd3 h GLU 275 N 0.00 -0.21 -0.14 0.00 4.39 -1.99 -3.20 114.58 113.43 3gd3 h GLU 275 Ca -0.00 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 3gd3 h GLU 275 Cb 0.01 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3gd3 h GLU 275 CO 0.00 -0.04 -0.44 -0.39 -1.16 0.00 0.00 179.01 176.99 3gd3 h VAL 276 N -0.35 1.32 0.00 3.13 -1.51 -1.87 -3.07 116.25 113.90 3gd3 h VAL 276 Ca -0.02 -1.60 -0.03 0.00 -1.23 0.00 0.00 66.70 63.82 3gd3 h VAL 276 Cb 0.28 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3gd3 h VAL 276 CO 0.04 0.48 -0.12 0.07 -1.23 0.00 0.00 177.57 176.81 3gd3 h LYS 277 N 0.27 0.00 0.18 5.19 2.10 -1.55 -2.99 116.57 119.76 3gd3 h LYS 277 Ca 0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 3gd3 h LYS 277 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 3gd3 h LYS 277 CO 0.07 0.12 -0.09 0.66 -2.00 0.00 0.00 179.45 178.22 3gd3 h SER 278 N 0.00 -0.21 0.00 7.07 4.64 -1.53 -2.98 113.55 120.55 3gd3 h SER 278 Ca -0.00 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3gd3 h SER 278 Cb 0.46 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3gd3 h SER 278 CO 0.02 0.26 0.00 0.54 -0.87 0.00 0.00 176.83 176.78 3gd3 n ARG 279 N -4.98 0.48 -3.86 4.77 1.74 -1.13 -4.42 116.66 109.25 3gd3 n ARG 279 Ca -0.08 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.72 3gd3 n ARG 279 Cb 0.26 -1.17 -0.16 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.29 0.99 0.32 0.55 2.01 -1.13 -0.72 115.64 116.38 3gd3 s THR 280 Ca 0.00 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.45 3gd3 s THR 280 Cb 0.00 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 3gd3 s THR 280 CO 0.00 0.04 0.16 0.42 -0.69 0.00 0.00 174.62 174.56 3gd3 s THR 281 N 1.67 3.29 -0.20 -0.82 -4.23 -0.85 -4.91 115.64 109.60 3gd3 s THR 281 Ca -0.00 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 3gd3 s THR 281 Cb -0.16 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 70.67 3gd3 s THR 281 CO -0.07 -0.22 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.86 3gd3 s LEU 282 N -3.86 2.42 -0.20 4.79 1.43 -1.26 -2.24 118.68 119.77 3gd3 s LEU 282 Ca 0.37 -0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 3gd3 s LEU 282 Cb -0.04 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.73 3gd3 s LEU 282 CO 0.23 -0.06 1.09 0.12 0.23 0.00 0.00 176.35 177.96 3gd3 s PHE 283 N 1.27 3.26 0.00 0.29 5.36 -1.25 -4.68 117.98 122.24 3gd3 s PHE 283 Ca 0.01 1.39 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 3gd3 s PHE 283 Cb -0.15 -3.31 0.00 0.00 -0.34 0.00 0.00 43.02 39.22 3gd3 s PHE 283 CO -0.10 -0.72 0.00 -2.13 -1.46 0.00 0.00 175.22 170.81 3gd3 n ARG 284 N 6.17 0.00 -1.76 10.12 0.63 -1.26 -4.93 116.66 125.63 3gd3 n ARG 284 Ca 0.12 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.72 3gd3 n ARG 284 Cb 0.46 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.42 3gd3 n ARG 284 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3gd3 s LYS 285 N -0.85 2.78 0.26 -0.14 1.02 -1.26 -4.91 119.74 116.64 3gd3 s LYS 285 Ca 0.00 1.43 -0.07 0.00 0.02 0.00 0.00 55.97 57.34 3gd3 s LYS 285 Cb 0.00 -1.94 0.45 0.00 -0.52 0.00 0.00 37.83 35.81 3gd3 s LYS 285 CO 0.00 -1.27 1.61 0.82 -0.92 0.00 0.00 175.35 175.58 3gd3 h ILE 286 N 0.07 0.22 -0.96 2.17 2.04 -2.00 -0.75 117.51 118.29 3gd3 h ILE 286 Ca -0.47 -0.01 0.17 0.00 1.00 0.00 0.00 64.86 65.55 3gd3 h ILE 286 Cb 1.25 0.17 -0.17 0.00 -0.74 0.00 0.00 36.82 37.33 3gd3 h ILE 286 CO 0.54 0.01 -0.30 0.61 0.00 0.00 0.00 178.15 179.01 3gd3 n GLY 287 N -1.48 -1.76 0.21 5.37 0.00 -1.26 0.11 105.19 106.37 3gd3 n GLY 287 Ca 0.14 1.05 0.05 0.00 0.00 0.00 0.00 46.02 47.26 3gd3 n GLY 287 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gd3 h ASP 288 N 0.00 0.00 0.63 1.61 3.45 -1.48 -1.83 116.42 118.80 3gd3 h ASP 288 Ca 0.41 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.84 3gd3 h ASP 288 Cb 0.65 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.43 3gd3 h ASP 288 CO -0.98 0.27 -0.30 0.15 -1.57 0.00 0.00 179.24 176.82 3gd3 h PHE 289 N 0.00 -0.79 -0.62 4.55 3.04 -0.18 -2.25 116.94 120.70 3gd3 h PHE 289 Ca -0.00 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.03 3gd3 h PHE 289 Cb 0.52 0.26 -0.08 0.00 2.56 0.00 0.00 35.95 39.22 3gd3 h PHE 289 CO 0.00 -0.45 0.23 0.00 -2.02 0.00 0.00 178.31 176.07 3gd3 h ARG 290 N -1.13 0.39 -0.45 1.11 3.08 -1.17 0.06 114.38 116.28 3gd3 h ARG 290 Ca -0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3gd3 h ARG 290 Cb 0.69 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3gd3 h ARG 290 CO 0.14 0.26 0.28 0.00 -1.07 0.00 0.00 179.97 179.58 3gd3 h ALA 291 N 1.44 0.57 -0.34 0.04 0.00 -1.40 0.22 119.26 119.78 3gd3 h ALA 291 Ca 0.32 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3gd3 h ALA 291 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gd3 h ALA 291 CO -0.32 0.04 -0.27 1.25 0.00 0.00 0.00 179.25 179.94 3gd3 h LEU 292 N 0.60 0.73 -0.96 0.00 5.85 -0.88 -1.89 115.31 118.75 3gd3 h LEU 292 Ca 0.16 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 3gd3 h LEU 292 Cb -0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3gd3 h LEU 292 CO -0.03 0.97 -0.32 -0.08 -0.34 0.00 0.00 178.44 178.63 3gd3 h GLU 293 N 0.61 0.35 -0.75 1.25 4.22 -0.60 -0.36 114.58 119.30 3gd3 h GLU 293 Ca 0.08 -0.15 -0.04 0.00 0.08 0.00 0.00 59.36 59.33 3gd3 h GLU 293 Cb 0.78 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 3gd3 h GLU 293 CO 0.06 0.64 0.33 -0.22 -2.18 0.00 0.00 179.01 177.64 3gd3 h LYS 294 N 0.31 1.11 0.02 1.92 3.64 -0.25 -3.21 116.57 120.11 3gd3 h LYS 294 Ca 0.04 -0.19 -0.21 0.00 -1.27 0.00 0.00 60.65 59.02 3gd3 h LYS 294 Cb 0.72 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3gd3 h LYS 294 CO 0.06 0.89 -0.96 0.82 -2.27 0.00 0.00 179.45 177.99 3gd3 h ILE 295 N 1.08 1.54 0.00 2.00 2.04 -0.99 -3.22 117.51 119.96 3gd3 h ILE 295 Ca 0.25 -2.84 0.00 0.00 1.00 0.00 0.00 64.86 63.28 3gd3 h ILE 295 Cb 0.17 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3gd3 h ILE 295 CO -0.03 0.82 0.00 -1.54 0.00 0.00 0.00 178.15 177.41 3gd3 n SER 296 N -3.58 0.00 0.00 1.72 3.41 -0.18 -1.32 113.62 113.67 3gd3 n SER 296 Ca -0.04 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3gd3 n SER 296 Cb 0.86 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 3gd3 n SER 296 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gd3 n ARG 297 N -0.85 2.19 -0.07 4.33 1.74 -1.21 -4.84 116.66 117.95 3gd3 n ARG 297 Ca 0.04 -0.20 -0.08 0.00 -0.77 0.00 0.00 57.85 56.84 3gd3 n ARG 297 Cb 0.02 -0.64 -0.09 0.00 -1.02 0.00 0.00 32.46 30.73 3gd3 n ARG 297 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gd3 n GLU 298 N -0.37 1.32 -3.67 5.56 1.02 -0.44 -5.06 120.64 119.00 3gd3 n GLU 298 Ca 0.00 0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.95 3gd3 n GLU 298 Cb 0.03 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 3gd3 n GLU 298 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3gd3 s VAL 299 N -2.31 2.45 -0.06 2.62 -7.23 -1.10 -5.06 120.40 109.71 3gd3 s VAL 299 Ca -0.13 -1.40 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3gd3 s VAL 299 Cb 0.04 -2.85 -0.26 0.00 0.56 0.00 0.00 36.38 33.88 3gd3 s VAL 299 CO 0.45 0.00 0.58 0.11 -0.31 0.00 0.00 175.10 175.94 3gd3 h LYS 300 N 1.01 0.19 -3.19 4.82 6.56 -1.94 -3.47 116.57 120.56 3gd3 h LYS 300 Ca -0.41 -0.32 -0.33 0.00 -1.06 0.00 0.00 60.65 58.54 3gd3 h LYS 300 Cb 1.27 0.12 -0.37 0.00 -0.57 0.00 0.00 32.23 32.68 3gd3 h LYS 300 CO 0.58 0.98 -0.68 0.45 -2.06 0.00 0.00 179.45 178.73 3gd3 s SER 301 N -6.76 0.90 0.08 0.86 0.15 -1.26 0.53 113.70 108.20 3gd3 s SER 301 Ca -0.14 0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.80 3gd3 s SER 301 Cb 0.07 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 3gd3 s SER 301 CO 0.81 -0.25 -0.08 -0.63 1.20 0.00 0.00 173.24 174.30 3gd3 s ILE 302 N 2.22 3.52 -0.09 6.45 1.01 -1.14 0.08 121.20 133.25 3gd3 s ILE 302 Ca 0.04 -1.11 0.04 0.00 0.00 0.00 0.00 60.65 59.62 3gd3 s ILE 302 Cb -0.12 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 3gd3 s ILE 302 CO -0.05 0.18 -0.23 -0.89 0.00 0.00 0.00 174.94 173.96 3gd3 s THR 303 N -1.17 2.15 -0.19 2.92 2.01 0.72 -1.38 115.64 120.69 3gd3 s THR 303 Ca 0.21 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.16 3gd3 s THR 303 Cb -0.11 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 3gd3 s THR 303 CO 0.13 0.56 0.00 -0.69 -0.69 0.00 0.00 174.62 173.93 3gd3 s VAL 304 N 0.20 4.09 -0.23 3.82 1.01 0.13 -0.67 120.40 128.75 3gd3 s VAL 304 Ca -0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 3gd3 s VAL 304 Cb -0.17 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3gd3 s VAL 304 CO 0.07 0.44 -0.08 -0.63 0.00 0.00 0.00 175.10 174.91 3gd3 s ILE 305 N 0.78 2.95 0.00 2.22 1.01 -0.29 -1.29 121.20 126.58 3gd3 s ILE 305 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3gd3 s ILE 305 Cb -0.14 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.94 3gd3 s ILE 305 CO 0.02 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3gd3 n GLY 306 N 4.72 4.23 0.20 6.18 0.00 -0.48 -0.37 105.19 119.66 3gd3 n GLY 306 Ca -0.18 -0.90 0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.18 -0.74 3.48 -0.02 0.00 -1.26 -4.53 105.19 101.93 3gd3 n GLY 307 Ca 0.00 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 1.35 -1.58 0.38 -0.02 0.00 -1.26 -2.48 105.19 101.59 3gd3 n GLY 308 Ca 0.12 -0.78 0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.83 0.00 0.47 1.61 -1.00 -1.94 -1.21 116.94 113.03 3gd3 h PHE 309 Ca -0.46 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.30 3gd3 h PHE 309 Cb 1.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.86 3gd3 h PHE 309 CO 0.38 0.00 -0.22 1.25 -1.61 0.00 0.00 178.31 178.11 3gd3 h LEU 310 N 0.00 -0.53 -1.73 1.54 5.85 -1.93 -2.94 115.31 115.58 3gd3 h LEU 310 Ca 0.24 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3gd3 h LEU 310 Cb 1.03 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3gd3 h LEU 310 CO -0.00 -0.13 0.18 1.23 -0.34 0.00 0.00 178.44 179.38 3gd3 h GLY 311 N -1.04 0.39 1.15 3.75 0.00 -1.59 -0.95 103.07 104.79 3gd3 h GLY 311 Ca -0.06 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 3gd3 h GLY 311 CO 0.11 0.14 -0.26 1.76 0.00 0.00 0.00 176.54 178.28 3gd3 h SER 312 N 0.37 0.99 -0.35 0.19 0.02 -1.36 -0.99 113.55 112.42 3gd3 h SER 312 Ca 0.10 -0.39 -0.08 0.00 -0.84 0.00 0.00 61.79 60.57 3gd3 h SER 312 Cb -0.04 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 3gd3 h SER 312 CO -0.02 1.18 -0.10 -0.33 -1.14 0.00 0.00 176.83 176.42 3gd3 h GLU 313 N 0.81 0.69 -0.25 3.45 5.08 -1.08 -2.19 114.58 121.09 3gd3 h GLU 313 Ca 0.10 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3gd3 h GLU 313 Cb 0.84 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3gd3 h GLU 313 CO 0.07 0.86 0.12 -0.07 -1.00 0.00 0.00 179.01 178.99 3gd3 h LEU 314 N 0.48 0.33 -0.23 1.33 3.38 -1.16 -0.78 115.31 118.66 3gd3 h LEU 314 Ca 0.09 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3gd3 h LEU 314 Cb 0.61 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3gd3 h LEU 314 CO 0.04 0.37 -0.18 0.00 0.09 0.00 0.00 178.44 178.76 3gd3 h ALA 315 N 0.97 -0.02 -0.48 1.53 0.00 -1.19 -1.62 119.26 118.45 3gd3 h ALA 315 Ca 0.08 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3gd3 h ALA 315 Cb 0.13 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3gd3 h ALA 315 CO -0.01 -0.60 0.20 0.00 0.00 0.00 0.00 179.25 178.85 3gd3 h ALA 317 N 1.55 -0.34 0.00 0.00 0.00 -0.62 -2.72 119.26 117.13 3gd3 h ALA 317 Ca 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3gd3 h ALA 317 Cb 0.11 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gd3 h ALA 317 CO -0.02 -0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 178.36 3gd3 h LEU 318 N -0.40 0.00 -0.99 0.00 3.38 -0.85 -0.90 115.31 115.56 3gd3 h LEU 318 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3gd3 h LEU 318 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3gd3 h LEU 318 CO 0.06 0.14 0.07 1.23 0.09 0.00 0.00 178.44 180.02 3gd3 h GLY 319 N 0.65 0.86 2.00 0.83 0.00 -1.08 0.36 103.07 106.69 3gd3 h GLY 319 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 3gd3 h GLY 319 CO 0.02 0.50 -0.22 3.21 0.00 0.00 0.00 176.54 180.04 3gd3 h ARG 320 N 0.76 0.00 0.22 4.80 2.47 -0.87 -1.62 114.38 120.15 3gd3 h ARG 320 Ca 0.16 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.55 3gd3 h ARG 320 Cb 0.37 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.71 3gd3 h ARG 320 CO 0.01 0.22 -1.52 0.87 0.56 0.00 0.00 179.97 180.11 3gd3 h LYS 321 N 0.00 0.46 -0.39 0.04 1.79 -1.14 -3.36 116.57 113.97 3gd3 h LYS 321 Ca -0.00 -0.79 0.08 0.00 -2.18 0.00 0.00 60.65 57.76 3gd3 h LYS 321 Cb 0.72 0.29 -0.08 0.00 -1.58 0.00 0.00 32.23 31.58 3gd3 h LYS 321 CO 0.03 1.37 -0.13 1.03 -1.08 0.00 0.00 179.45 180.67 3gd3 h SER 322 N 0.13 -0.45 0.00 0.86 0.87 0.04 -0.42 113.55 114.58 3gd3 h SER 322 Ca -0.26 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3gd3 h SER 322 Cb 2.13 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 64.36 3gd3 h SER 322 CO 0.24 -0.16 0.18 1.56 -0.53 0.00 0.00 176.83 178.12 3gd3 h GLN 323 N -0.04 0.00 0.00 2.24 4.20 -1.44 0.43 115.11 120.50 3gd3 h GLN 323 Ca 0.19 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.57 3gd3 h GLN 323 Cb 0.33 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 3gd3 h GLN 323 CO -0.42 0.00 -2.06 0.00 -0.67 0.00 0.00 178.83 175.68 3gd3 n ALA 324 N -1.75 1.07 0.05 3.87 0.00 -0.40 -4.77 120.51 118.59 3gd3 n ALA 324 Ca -0.02 -0.97 0.05 0.00 0.00 0.00 0.00 53.44 52.50 3gd3 n ALA 324 Cb 0.21 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 3gd3 n ALA 324 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gd3 n SER 325 N -4.32 0.76 0.00 0.00 3.41 -0.30 -4.96 113.62 108.20 3gd3 n SER 325 Ca -0.43 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3gd3 n SER 325 Cb 0.78 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 3gd3 n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gd3 n GLY 326 N 1.31 0.79 3.61 5.00 0.00 0.14 -5.02 105.19 111.02 3gd3 n GLY 326 Ca -0.06 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.48 3gd3 n GLY 326 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3gd3 n ILE 327 N -2.04 0.60 -2.51 -0.61 3.06 -1.26 -4.95 119.36 111.65 3gd3 n ILE 327 Ca 0.00 -0.15 -0.40 0.00 -2.50 0.00 0.00 62.75 59.70 3gd3 n ILE 327 Cb 0.00 -1.07 -0.05 0.00 0.54 0.00 0.00 39.64 39.07 3gd3 n ILE 327 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 3gd3 s GLU 328 N -0.04 4.65 -0.27 9.51 2.12 0.19 -4.67 118.70 130.19 3gd3 s GLU 328 Ca 0.75 1.76 -0.00 0.00 0.36 0.00 0.00 54.97 57.83 3gd3 s GLU 328 Cb -0.81 -3.18 0.08 0.00 0.26 0.00 0.00 34.13 30.48 3gd3 s GLU 328 CO 0.49 0.24 0.04 0.08 -0.54 0.00 0.00 175.26 175.57 3gd3 s VAL 329 N -1.18 1.12 -0.19 3.70 1.01 -1.26 -2.88 120.40 120.72 3gd3 s VAL 329 Ca 0.44 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 3gd3 s VAL 329 Cb -0.31 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 3gd3 s VAL 329 CO 0.40 -0.41 0.13 -0.63 0.00 0.00 0.00 175.10 174.58 3gd3 s ILE 330 N 1.54 5.42 -0.04 2.22 1.01 -0.48 -2.22 121.20 128.64 3gd3 s ILE 330 Ca 0.03 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.92 3gd3 s ILE 330 Cb -0.18 -3.46 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 3gd3 s ILE 330 CO -0.15 0.47 -0.16 -1.58 0.00 0.00 0.00 174.94 173.52 3gd3 s GLN 331 N 0.16 1.71 0.02 2.79 0.74 -0.93 0.17 119.66 124.32 3gd3 s GLN 331 Ca 0.09 -0.57 -0.12 0.00 0.05 0.00 0.00 55.36 54.81 3gd3 s GLN 331 Cb -0.11 -1.49 0.01 0.00 1.10 0.00 0.00 33.01 32.53 3gd3 s GLN 331 CO -0.01 0.22 0.25 -0.48 -0.55 0.00 0.00 175.29 174.72 3gd3 s LEU 332 N 0.09 1.11 0.00 3.68 0.05 -0.41 0.20 118.68 123.40 3gd3 s LEU 332 Ca -0.04 -0.19 -0.28 0.00 0.05 0.00 0.00 54.13 53.67 3gd3 s LEU 332 Cb -0.11 1.13 0.09 0.00 -2.05 0.00 0.00 46.19 45.25 3gd3 s LEU 332 CO 0.02 -0.53 0.81 0.72 -0.55 0.00 0.00 176.35 176.82 3gd3 s PHE 333 N -2.15 -0.44 0.29 3.48 -0.12 -1.16 -1.38 117.98 116.50 3gd3 s PHE 333 Ca -0.08 0.44 0.08 0.00 -0.05 0.00 0.00 56.93 57.32 3gd3 s PHE 333 Cb -0.03 0.51 0.45 0.00 -0.63 0.00 0.00 43.02 43.32 3gd3 s PHE 333 CO -0.01 -0.59 1.68 -1.00 -0.05 0.00 0.00 175.22 175.25 3gd3 h PRO 334 N 2.23 0.14 -7.23 1.99 0.13 -1.78 0.10 132.00 127.59 3gd3 h PRO 334 Ca -0.25 -0.07 -0.49 0.00 -0.87 0.00 0.00 66.00 64.31 3gd3 h PRO 334 Cb 1.23 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.57 3gd3 h PRO 334 CO 0.34 0.59 0.15 -1.21 -0.23 0.00 0.00 178.00 177.64 3gd3 s GLU 335 N -3.97 0.36 -0.04 0.86 8.01 -1.26 -3.50 118.70 119.16 3gd3 s GLU 335 Ca -0.03 1.36 -0.22 0.00 0.01 0.00 0.00 54.97 56.09 3gd3 s GLU 335 Cb 0.13 -1.66 -0.16 0.00 -4.31 0.00 0.00 34.13 28.13 3gd3 s GLU 335 CO 0.77 -3.02 0.94 0.87 0.01 0.00 0.00 175.26 174.82 3gd3 h LYS 336 N -2.14 -0.25 -5.90 1.61 1.57 -1.94 0.39 116.57 109.91 3gd3 h LYS 336 Ca -0.49 0.02 -0.56 0.00 -1.87 0.00 0.00 60.65 57.75 3gd3 h LYS 336 Cb 1.29 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.58 3gd3 h LYS 336 CO 0.44 0.16 -0.47 0.20 -0.57 0.00 0.00 179.45 179.20 3gd3 s GLY 337 N -3.16 2.34 -0.13 3.86 0.00 -1.26 -4.34 107.32 104.62 3gd3 s GLY 337 Ca -0.13 -1.99 -0.29 0.00 0.00 0.00 0.00 44.72 42.31 3gd3 s GLY 337 CO 0.49 -1.90 1.64 -1.31 0.00 0.00 0.00 173.10 172.01 3gd3 s ASN 338 N -3.95 6.52 -1.06 1.64 0.02 -1.13 -1.58 114.94 115.39 3gd3 s ASN 338 Ca 0.40 1.95 -0.03 0.00 -1.02 0.00 0.00 52.86 54.16 3gd3 s ASN 338 Cb 0.03 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.77 3gd3 s ASN 338 CO 0.22 -1.09 0.46 0.23 0.02 0.00 0.00 177.10 176.94 3gd3 n MET 339 N 7.38 -3.59 -0.15 -0.60 2.81 -1.03 -4.46 117.12 117.48 3gd3 n MET 339 Ca 0.18 0.63 -0.03 0.00 -1.81 0.00 0.00 57.70 56.67 3gd3 n MET 339 Cb 0.44 -4.90 0.05 0.00 -0.71 0.00 0.00 33.22 28.10 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 -1.05 0.49 1.18 3.03 0.00 -1.53 0.41 103.07 105.60 3gd3 h GLY 340 Ca -0.37 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3gd3 h GLY 340 CO 0.39 -0.12 0.13 0.28 0.00 0.00 0.00 176.54 177.22 3gd3 n LYS 341 N -5.21 0.00 0.05 4.80 5.02 -1.26 -3.62 118.16 117.94 3gd3 n LYS 341 Ca 0.05 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3gd3 n LYS 341 Cb 0.25 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3gd3 n LYS 341 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gd3 n ILE 342 N -1.22 0.31 -2.76 -0.18 5.41 0.01 -3.24 119.36 117.70 3gd3 n ILE 342 Ca 0.00 0.10 -0.41 0.00 1.00 0.00 0.00 62.75 63.45 3gd3 n ILE 342 Cb 0.13 -1.01 -0.05 0.00 -0.71 0.00 0.00 39.64 38.01 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 -6.28 4.52 0.67 1.39 1.43 0.12 -3.71 118.68 116.84 3gd3 s LEU 343 Ca 0.00 1.79 -0.17 0.00 -1.03 0.00 0.00 54.13 54.72 3gd3 s LEU 343 Cb 0.00 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 3gd3 s LEU 343 CO 0.00 -0.02 0.47 -2.65 0.23 0.00 0.00 176.35 174.38 3gd3 n PRO 344 N 2.55 0.35 -0.03 1.29 -0.02 -1.26 -4.42 135.00 133.46 3gd3 n PRO 344 Ca 0.01 0.15 -0.01 0.00 -2.02 0.00 0.00 63.50 61.63 3gd3 n PRO 344 Cb 0.49 -1.74 -0.01 0.00 -0.02 0.00 0.00 33.50 32.23 3gd3 n PRO 344 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3gd3 n GLN 345 N -0.35 -0.03 0.04 -0.52 0.00 -1.26 -1.99 117.38 113.28 3gd3 n GLN 345 Ca 0.10 0.11 0.04 0.00 -0.00 0.00 0.00 57.00 57.25 3gd3 n GLN 345 Cb 0.49 -0.16 -0.07 0.00 0.00 0.00 0.00 30.24 30.50 3gd3 n GLN 345 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 3gd3 n TYR 346 N -3.72 0.81 0.09 3.69 4.11 -1.26 -2.32 117.16 118.56 3gd3 n TYR 346 Ca 0.00 0.26 -0.14 0.00 -0.00 0.00 0.00 57.90 58.01 3gd3 n TYR 346 Cb 0.02 -0.97 -0.11 0.00 -0.00 0.00 0.00 39.34 38.27 3gd3 n TYR 346 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 3gd3 h LEU 347 N 0.00 0.39 -1.37 -3.48 5.85 -1.77 0.27 115.31 115.22 3gd3 h LEU 347 Ca -0.11 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.27 3gd3 h LEU 347 Cb 1.36 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 3gd3 h LEU 347 CO 0.02 1.28 0.48 -1.28 -0.34 0.00 0.00 178.44 178.60 3gd3 h SER 348 N 0.09 0.68 -0.07 1.25 0.87 -1.49 -2.25 113.55 112.63 3gd3 h SER 348 Ca -0.11 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.25 3gd3 h SER 348 Cb 1.86 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 63.69 3gd3 h SER 348 CO 0.19 0.44 -0.75 -1.13 -0.53 0.00 0.00 176.83 175.04 3gd3 h ASN 349 N 0.77 0.79 -0.48 6.23 -1.24 -1.19 -2.90 115.58 117.55 3gd3 h ASN 349 Ca 0.32 -0.69 0.08 0.00 0.71 0.00 0.00 56.30 56.72 3gd3 h ASN 349 Cb 0.25 -0.24 -0.07 0.00 0.73 0.00 0.00 38.32 39.00 3gd3 h ASN 349 CO -0.11 1.35 0.07 -0.25 -1.29 0.00 0.00 177.43 177.21 3gd3 h TRP 350 N 0.28 0.10 0.22 0.67 7.01 -0.28 -3.10 115.95 120.85 3gd3 h TRP 350 Ca -0.07 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 3gd3 h TRP 350 Cb 1.41 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.50 3gd3 h TRP 350 CO 0.11 -0.03 -0.11 1.15 -2.79 0.00 0.00 178.44 176.77 3gd3 h THR 351 N 0.19 0.81 -0.71 2.65 2.02 -1.43 -2.65 112.91 113.80 3gd3 h THR 351 Ca 0.24 -0.16 0.15 0.00 0.77 0.00 0.00 66.41 67.41 3gd3 h THR 351 Cb 0.33 0.91 -0.11 0.00 -1.74 0.00 0.00 68.15 67.53 3gd3 h THR 351 CO -0.34 0.04 0.08 -0.03 0.37 0.00 0.00 175.52 175.64 3gd3 h MET 352 N -0.38 0.17 0.00 6.66 1.85 -1.44 0.70 114.93 122.49 3gd3 h MET 352 Ca -0.03 -0.01 -0.12 0.00 -0.61 0.00 0.00 59.70 58.93 3gd3 h MET 352 Cb 0.29 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.26 3gd3 h MET 352 CO 0.05 0.12 -0.59 1.49 -0.40 0.00 0.00 176.91 177.58 3gd3 h GLU 353 N 0.18 0.00 -0.03 0.39 4.57 -1.52 -1.51 114.58 116.66 3gd3 h GLU 353 Ca 0.39 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.44 3gd3 h GLU 353 Cb 0.67 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 3gd3 h GLU 353 CO -0.56 0.59 -0.59 -0.22 -1.18 0.00 0.00 179.01 177.05 3gd3 h LYS 354 N 0.00 0.09 -0.08 1.92 1.63 -0.66 -0.48 116.57 118.99 3gd3 h LYS 354 Ca -0.01 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 3gd3 h LYS 354 Cb 1.05 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 3gd3 h LYS 354 CO 0.08 0.65 -0.18 0.28 -3.45 0.00 0.00 179.45 176.83 3gd3 h VAL 355 N 0.07 1.42 -0.63 2.00 2.07 -0.80 -2.67 116.25 117.69 3gd3 h VAL 355 Ca -0.01 -1.51 0.18 0.00 0.82 0.00 0.00 66.70 66.18 3gd3 h VAL 355 Cb 1.06 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 33.02 3gd3 h VAL 355 CO 0.08 0.43 0.51 0.11 0.02 0.00 0.00 177.57 178.72 3gd3 h LYS 356 N -0.23 0.00 0.00 1.57 1.57 -1.11 0.19 116.57 118.56 3gd3 h LYS 356 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gd3 h LYS 356 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3gd3 h LYS 356 CO 0.04 0.00 0.00 -0.09 -0.57 0.00 0.00 179.45 178.83 3gd3 h ARG 357 N 0.00 0.00 -0.05 3.15 2.43 -0.76 -2.39 114.38 116.75 3gd3 h ARG 357 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3gd3 h ARG 357 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3gd3 h ARG 357 CO -0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 3gd3 n GLU 358 N -3.05 1.14 -0.51 0.20 -0.58 0.65 -4.84 120.64 113.65 3gd3 n GLU 358 Ca 0.04 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 3gd3 n GLU 358 Cb 0.50 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 3gd3 n GLU 358 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gd3 n GLY 359 N 0.64 1.22 3.40 0.62 0.00 -0.95 -4.37 105.19 105.76 3gd3 n GLY 359 Ca 0.04 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3gd3 n GLY 359 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gd3 s VAL 360 N -2.14 2.51 -0.58 1.61 1.01 -0.94 -4.60 120.40 117.27 3gd3 s VAL 360 Ca 0.00 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.69 3gd3 s VAL 360 Cb 0.00 -1.98 0.12 0.00 0.00 0.00 0.00 36.38 34.52 3gd3 s VAL 360 CO 0.00 0.46 0.63 -0.75 0.00 0.00 0.00 175.10 175.44 3gd3 s LYS 361 N -1.03 3.03 0.00 2.72 2.20 -0.94 -4.21 119.74 121.51 3gd3 s LYS 361 Ca 0.12 -1.50 -0.25 0.00 -0.36 0.00 0.00 55.97 53.99 3gd3 s LYS 361 Cb -0.10 -4.29 -0.05 0.00 -1.51 0.00 0.00 37.83 31.88 3gd3 s LYS 361 CO 0.02 -1.46 0.75 0.08 -0.36 0.00 0.00 175.35 174.39 3gd3 s VAL 362 N 2.21 4.86 -0.69 4.02 1.01 -1.26 -2.20 120.40 128.35 3gd3 s VAL 362 Ca 0.08 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.65 3gd3 s VAL 362 Cb -0.26 -4.10 0.17 0.00 0.00 0.00 0.00 36.38 32.19 3gd3 s VAL 362 CO 0.05 0.31 0.51 -0.04 0.00 0.00 0.00 175.10 175.93 3gd3 s MET 363 N 0.31 2.63 0.50 2.72 1.00 0.54 -4.95 119.30 122.05 3gd3 s MET 363 Ca 0.39 -2.91 -0.17 0.00 0.00 0.00 0.00 55.69 53.00 3gd3 s MET 363 Cb -0.19 -3.66 -0.08 0.00 0.00 0.00 0.00 34.83 30.89 3gd3 s MET 363 CO 0.21 -1.21 0.98 -1.25 0.00 0.00 0.00 175.02 173.75 3gd3 s PRO 364 N -0.72 3.99 -0.69 2.03 0.04 -1.26 -2.99 135.00 135.40 3gd3 s PRO 364 Ca 0.21 0.98 -0.03 0.00 0.04 0.00 0.00 61.00 62.19 3gd3 s PRO 364 Cb -0.15 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3gd3 s PRO 364 CO -0.08 -0.23 0.61 0.09 0.04 0.00 0.00 177.00 177.44 3gd3 n ASN 365 N -1.42 -5.39 -3.76 6.66 4.13 0.13 -4.95 115.26 110.66 3gd3 n ASN 365 Ca 0.07 -0.41 -0.25 0.00 1.68 0.00 0.00 54.58 55.66 3gd3 n ASN 365 Cb 0.54 -3.83 -0.17 0.00 -1.54 0.00 0.00 39.78 34.78 3gd3 n ASN 365 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gd3 s ALA 366 N -3.22 0.86 -0.12 5.41 0.00 0.32 -4.92 121.76 120.08 3gd3 s ALA 366 Ca 0.26 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3gd3 s ALA 366 Cb -0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 3gd3 s ALA 366 CO 0.52 -0.74 0.09 0.42 0.00 0.00 0.00 175.76 176.04 3gd3 s ILE 367 N 1.91 5.05 -0.24 0.00 1.01 -1.26 -2.23 121.20 125.44 3gd3 s ILE 367 Ca 0.03 0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 3gd3 s ILE 367 Cb -0.14 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3gd3 s ILE 367 CO -0.07 0.60 0.40 -0.69 0.00 0.00 0.00 174.94 175.18 3gd3 s VAL 368 N -0.82 5.18 -0.09 2.92 1.01 -1.26 -0.52 120.40 126.82 3gd3 s VAL 368 Ca 0.13 0.66 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 3gd3 s VAL 368 Cb -0.12 -3.72 -0.27 0.00 0.00 0.00 0.00 36.38 32.27 3gd3 s VAL 368 CO 0.03 0.20 0.49 1.56 0.00 0.00 0.00 175.10 177.37 3gd3 h GLN 369 N 7.76 0.27 -2.00 2.72 4.20 -0.96 -3.46 115.11 123.64 3gd3 h GLN 369 Ca -0.33 -0.45 -0.04 0.00 0.06 0.00 0.00 58.65 57.88 3gd3 h GLN 369 Cb 1.16 0.17 -0.19 0.00 0.30 0.00 0.00 27.48 28.92 3gd3 h GLN 369 CO 0.69 1.16 0.23 -1.54 -0.67 0.00 0.00 178.83 178.70 3gd3 s SER 370 N -7.00 -0.63 0.03 1.46 1.04 -1.16 -4.94 113.70 102.51 3gd3 s SER 370 Ca -0.19 0.66 0.07 0.00 0.48 0.00 0.00 55.95 56.97 3gd3 s SER 370 Cb 0.06 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 3gd3 s SER 370 CO 0.80 -0.60 -0.20 -0.69 0.98 0.00 0.00 173.24 173.53 3gd3 s VAL 371 N -1.29 2.67 0.30 5.02 1.01 -1.26 -0.91 120.40 125.93 3gd3 s VAL 371 Ca -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 3gd3 s VAL 371 Cb -0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3gd3 s VAL 371 CO 0.08 0.37 0.41 -0.83 0.00 0.00 0.00 175.10 175.13 3gd3 s GLY 372 N -1.33 1.31 -0.18 4.51 0.00 0.18 -4.88 107.32 106.92 3gd3 s GLY 372 Ca 0.14 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.42 3gd3 s GLY 372 CO 0.04 -1.00 -0.13 0.14 0.00 0.00 0.00 173.10 172.16 3gd3 s VAL 373 N -3.47 2.79 -0.07 1.40 1.01 -1.26 0.21 120.40 121.00 3gd3 s VAL 373 Ca 0.30 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 3gd3 s VAL 373 Cb 0.01 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.21 3gd3 s VAL 373 CO 0.17 0.49 0.36 -0.55 0.00 0.00 0.00 175.10 175.57 3gd3 s SER 374 N 1.07 -0.31 0.00 3.32 0.15 -1.15 -4.91 113.70 111.88 3gd3 s SER 374 Ca -0.00 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.07 3gd3 s SER 374 Cb -0.15 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 3gd3 s SER 374 CO -0.03 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.70 3gd3 n GLY 375 N 1.97 0.81 0.00 9.45 0.00 -1.26 -1.03 105.19 115.14 3gd3 n GLY 375 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 0.90 0.00 -0.02 0.00 -1.26 -5.08 105.19 97.73 3gd3 n GLY 376 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.12 1.18 -5.15 1.61 1.74 -0.20 -5.10 116.66 109.63 3gd3 n ARG 377 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 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 2.26 -0.10 0.55 1.43 0.72 -2.91 118.68 120.63 3gd3 s LEU 378 Ca 0.00 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3gd3 s LEU 378 Cb 0.00 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 3gd3 s LEU 378 CO 0.00 0.26 -0.14 -0.76 0.23 0.00 0.00 176.35 175.95 3gd3 s LEU 379 N -0.26 2.72 -0.11 1.79 1.43 0.13 -1.00 118.68 123.37 3gd3 s LEU 379 Ca -0.00 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3gd3 s LEU 379 Cb -0.13 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.51 3gd3 s LEU 379 CO 0.03 0.23 -0.18 -0.63 0.23 0.00 0.00 176.35 176.04 3gd3 s ILE 380 N -0.07 1.69 -0.17 -0.59 1.01 0.48 0.48 121.20 124.03 3gd3 s ILE 380 Ca -0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 3gd3 s ILE 380 Cb -0.14 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3gd3 s ILE 380 CO 0.04 0.48 -0.09 -0.54 0.00 0.00 0.00 174.94 174.83 3gd3 s LYS 381 N 0.87 3.41 0.16 2.79 1.02 -0.09 -1.47 119.74 126.43 3gd3 s LYS 381 Ca -0.08 -0.65 -0.02 0.00 0.02 0.00 0.00 55.97 55.24 3gd3 s LYS 381 Cb -0.15 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 3gd3 s LYS 381 CO -0.01 0.05 0.36 -0.51 -0.92 0.00 0.00 175.35 174.33 3gd3 s LEU 382 N 0.80 4.26 0.21 3.17 1.43 -0.83 -0.29 118.68 127.42 3gd3 s LEU 382 Ca -0.03 0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 3gd3 s LEU 382 Cb -0.15 -3.18 0.28 0.00 0.03 0.00 0.00 46.19 43.16 3gd3 s LEU 382 CO 0.01 0.01 1.78 0.50 0.23 0.00 0.00 176.35 178.88 3gd3 h LYS 383 N 2.40 0.53 0.00 1.70 3.64 -1.13 0.57 116.57 124.27 3gd3 h LYS 383 Ca -0.47 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3gd3 h LYS 383 Cb 1.18 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3gd3 h LYS 383 CO 0.70 0.35 -0.00 0.38 -2.27 0.00 0.00 179.45 178.61 3gd3 h ASP 384 N 0.55 0.00 0.00 4.20 3.04 -1.91 -3.47 116.42 118.83 3gd3 h ASP 384 Ca 0.31 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.10 3gd3 h ASP 384 Cb 0.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 3gd3 h ASP 384 CO -0.25 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.56 3gd3 n GLY 385 N -0.31 1.68 3.76 7.15 0.00 0.19 -5.10 105.19 112.56 3gd3 n GLY 385 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.17 3.71 -0.24 1.61 0.52 -1.26 -4.67 118.95 118.45 3gd3 s ARG 386 Ca 0.00 2.24 0.01 0.00 -0.52 0.00 0.00 55.73 57.46 3gd3 s ARG 386 Cb 0.00 -2.61 0.04 0.00 0.52 0.00 0.00 34.95 32.90 3gd3 s ARG 386 CO 0.00 -0.73 -0.12 0.15 0.02 0.00 0.00 175.30 174.62 3gd3 s LYS 387 N -2.46 2.54 -0.07 3.54 1.02 -1.26 -1.97 119.74 121.07 3gd3 s LYS 387 Ca 0.61 -1.15 -0.05 0.00 0.02 0.00 0.00 55.97 55.40 3gd3 s LYS 387 Cb -0.40 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 3gd3 s LYS 387 CO 0.50 -0.46 0.14 0.08 -0.92 0.00 0.00 175.35 174.70 3gd3 s VAL 388 N 1.20 5.35 -0.10 3.17 1.01 -0.54 -4.98 120.40 125.51 3gd3 s VAL 388 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 3gd3 s VAL 388 Cb -0.18 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.84 3gd3 s VAL 388 CO -0.07 0.50 -0.04 -0.70 0.00 0.00 0.00 175.10 174.80 3gd3 s GLU 389 N -1.37 1.16 0.32 2.72 2.12 -1.26 -0.39 118.70 122.01 3gd3 s GLU 389 Ca 0.19 -0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.44 3gd3 s GLU 389 Cb -0.12 -1.40 -0.03 0.00 0.26 0.00 0.00 34.13 32.84 3gd3 s GLU 389 CO 0.09 -0.30 0.23 -0.08 -0.54 0.00 0.00 175.26 174.66 3gd3 s THR 390 N 1.81 0.12 -0.21 -1.70 -1.32 -0.17 -4.96 115.64 109.20 3gd3 s THR 390 Ca 0.05 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.59 3gd3 s THR 390 Cb -0.13 -2.48 -0.21 0.00 -1.51 0.00 0.00 72.50 68.18 3gd3 s THR 390 CO -0.07 0.00 0.01 0.47 -2.21 0.00 0.00 174.62 172.82 3gd3 n ASP 391 N -1.31 1.32 -3.92 8.08 9.92 0.11 -0.20 116.55 130.55 3gd3 n ASP 391 Ca 0.04 -0.01 -0.11 0.00 -0.53 0.00 0.00 54.79 54.19 3gd3 n ASP 391 Cb 0.63 -0.02 -0.12 0.00 -0.64 0.00 0.00 41.12 40.97 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 -2.52 0.12 -0.07 1.24 5.04 -1.04 -4.70 115.29 113.36 3gd3 s HIS 392 Ca -0.23 -0.24 0.04 0.00 -1.54 0.00 0.00 55.06 53.09 3gd3 s HIS 392 Cb 0.08 -0.09 -0.01 0.00 0.04 0.00 0.00 32.58 32.59 3gd3 s HIS 392 CO 0.71 -0.11 -0.21 0.42 -2.34 0.00 0.00 174.74 173.20 3gd3 s ILE 393 N -0.78 2.38 -0.12 0.89 1.01 0.10 -0.20 121.20 124.49 3gd3 s ILE 393 Ca -0.09 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.65 3gd3 s ILE 393 Cb -0.05 -1.91 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 3gd3 s ILE 393 CO -0.00 0.56 -0.21 -0.69 0.00 0.00 0.00 174.94 174.60 3gd3 s VAL 394 N -0.12 2.31 -0.19 2.92 1.01 0.16 -2.02 120.40 124.47 3gd3 s VAL 394 Ca -0.04 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.93 3gd3 s VAL 394 Cb -0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3gd3 s VAL 394 CO 0.04 0.55 0.09 0.42 0.00 0.00 0.00 175.10 176.20 3gd3 s THR 395 N 0.44 5.09 -0.38 3.92 -4.23 -0.95 -1.14 115.64 118.40 3gd3 s THR 395 Ca -0.15 0.07 0.11 0.00 -1.18 0.00 0.00 61.69 60.55 3gd3 s THR 395 Cb -0.17 -3.31 0.33 0.00 1.34 0.00 0.00 72.50 70.69 3gd3 s THR 395 CO 0.06 0.46 0.71 0.00 -0.54 0.00 0.00 174.62 175.31 3gd3 n ALA 396 N 3.47 1.95 -2.74 3.99 0.00 0.50 -3.81 120.51 123.87 3gd3 n ALA 396 Ca -0.16 -3.32 -0.29 0.00 0.00 0.00 0.00 53.44 49.67 3gd3 n ALA 396 Cb 0.52 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 3gd3 n ALA 396 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3gd3 n VAL 397 N 0.49 3.30 -3.53 0.00 0.24 -1.26 -4.40 118.33 113.17 3gd3 n VAL 397 Ca 0.24 -5.41 0.00 0.00 -2.04 0.00 0.00 64.34 57.12 3gd3 n VAL 397 Cb 0.64 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 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 -0.30 -0.38 3.61 7.63 0.00 -1.26 -4.44 105.19 110.05 3gd3 n GLY 398 Ca 0.36 -1.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.94 -0.23 0.99 2.96 -1.26 -3.07 118.68 117.13 3gd3 s LEU 399 Ca 0.00 1.48 -0.19 0.00 -0.22 0.00 0.00 54.13 55.20 3gd3 s LEU 399 Cb 0.00 2.27 -0.03 0.00 0.50 0.00 0.00 46.19 48.93 3gd3 s LEU 399 CO 0.00 -0.23 0.55 -0.70 -1.32 0.00 0.00 176.35 174.65 3gd3 s GLU 400 N 1.99 4.14 0.27 1.98 2.56 0.11 -4.84 118.70 124.92 3gd3 s GLU 400 Ca -0.09 0.44 -0.30 0.00 0.00 0.00 0.00 54.97 55.03 3gd3 s GLU 400 Cb -0.07 -3.61 -0.11 0.00 2.00 0.00 0.00 34.13 32.35 3gd3 s GLU 400 CO -0.19 -0.27 1.50 -1.25 -0.56 0.00 0.00 175.26 174.49 3gd3 s PRO 401 N 2.02 4.21 -0.80 4.30 0.04 -1.26 0.76 135.00 144.27 3gd3 s PRO 401 Ca 0.24 2.41 -0.25 0.00 0.04 0.00 0.00 61.00 63.44 3gd3 s PRO 401 Cb -0.16 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 3gd3 s PRO 401 CO 0.09 -0.50 1.75 -0.80 0.04 0.00 0.00 177.00 177.59 3gd3 s ASN 402 N 0.39 5.53 -0.32 6.66 0.02 0.13 -4.80 114.94 122.55 3gd3 s ASN 402 Ca 0.60 -0.43 0.10 0.00 -1.02 0.00 0.00 52.86 52.12 3gd3 s ASN 402 Cb -0.44 -2.55 0.46 0.00 0.02 0.00 0.00 41.25 38.74 3gd3 s ASN 402 CO 0.45 -2.31 1.14 1.33 0.02 0.00 0.00 177.10 177.73 3gd3 n VAL 403 N 7.30 2.19 -0.03 1.60 0.24 -1.26 -4.81 118.33 123.56 3gd3 n VAL 403 Ca 0.27 -4.11 -0.15 0.00 -2.04 0.00 0.00 64.34 58.31 3gd3 n VAL 403 Cb 0.50 -0.66 -0.09 0.00 -1.47 0.00 0.00 33.84 32.11 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 2.40 0.39 -0.87 7.34 5.08 -1.99 -3.20 114.58 123.73 3gd3 h GLU 404 Ca 0.24 -0.32 0.13 0.00 -1.00 0.00 0.00 59.36 58.41 3gd3 h GLU 404 Cb 1.32 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.57 3gd3 h GLU 404 CO 0.67 0.96 0.56 -0.07 -1.00 0.00 0.00 179.01 180.14 3gd3 h LEU 405 N -0.09 0.66 -0.98 1.33 3.38 -1.91 -2.59 115.31 115.11 3gd3 h LEU 405 Ca -0.03 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.37 3gd3 h LEU 405 Cb 1.04 -0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.51 3gd3 h LEU 405 CO 0.08 0.35 0.46 0.00 0.09 0.00 0.00 178.44 179.42 3gd3 n ALA 406 N -2.44 0.94 0.38 1.53 0.00 -1.21 0.10 120.51 119.82 3gd3 n ALA 406 Ca 0.16 1.01 -0.15 0.00 0.00 0.00 0.00 53.44 54.46 3gd3 n ALA 406 Cb 0.43 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 3gd3 n ALA 406 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3gd3 h LYS 407 N 0.00 -0.96 0.00 0.00 1.57 -1.66 0.19 116.57 115.71 3gd3 h LYS 407 Ca 0.80 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.65 3gd3 h LYS 407 Cb 2.08 0.22 0.00 0.00 0.08 0.00 0.00 32.23 34.60 3gd3 h LYS 407 CO -0.78 -0.64 0.00 1.79 -0.57 0.00 0.00 179.45 179.25 3gd3 h THR 408 N -1.22 0.00 0.00 -0.16 1.35 -1.47 -2.93 112.91 108.48 3gd3 h THR 408 Ca -0.10 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3gd3 h THR 408 Cb 0.76 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3gd3 h THR 408 CO 0.17 0.00 -0.79 1.23 -0.25 0.00 0.00 175.52 175.87 3gd3 h GLY 409 N 1.55 0.00 -4.57 5.82 0.00 -0.19 -3.43 103.07 102.26 3gd3 h GLY 409 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3gd3 h GLY 409 CO 0.00 0.00 -0.55 0.61 0.00 0.00 0.00 176.54 176.60 3gd3 n GLY 410 N 1.24 -0.32 3.77 4.60 0.00 -0.10 -4.64 105.19 109.74 3gd3 n GLY 410 Ca 0.02 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -6.07 4.27 0.39 0.99 1.43 -0.31 -5.05 118.68 114.33 3gd3 s LEU 411 Ca 0.40 0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 53.62 3gd3 s LEU 411 Cb -0.17 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.77 3gd3 s LEU 411 CO 0.49 0.22 1.35 -0.70 0.23 0.00 0.00 176.35 177.94 3gd3 s GLU 412 N 0.00 4.02 -0.08 1.70 2.12 -1.26 -4.75 118.70 120.46 3gd3 s GLU 412 Ca 0.12 2.26 0.02 0.00 0.36 0.00 0.00 54.97 57.74 3gd3 s GLU 412 Cb -0.12 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.45 3gd3 s GLU 412 CO 0.02 -0.49 -0.13 0.42 -0.54 0.00 0.00 175.26 174.54 3gd3 s ILE 413 N -1.21 1.24 -0.22 -3.70 1.01 -1.26 -1.38 121.20 115.69 3gd3 s ILE 413 Ca 0.55 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 3gd3 s ILE 413 Cb -0.40 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 3gd3 s ILE 413 CO 0.53 0.38 1.40 -0.62 0.00 0.00 0.00 174.94 176.63 3gd3 s ASP 414 N 0.78 6.67 0.40 3.58 -1.08 -0.65 -4.85 116.67 121.52 3gd3 s ASP 414 Ca -0.12 1.55 0.26 0.00 -0.52 0.00 0.00 52.55 53.72 3gd3 s ASP 414 Cb -0.16 -2.54 0.76 0.00 -1.46 0.00 0.00 42.92 39.53 3gd3 s ASP 414 CO 0.02 -1.02 1.75 0.77 0.52 0.00 0.00 175.17 177.21 3gd3 h SER 415 N 9.37 0.00 0.50 -0.34 4.64 -1.94 -0.56 113.55 125.22 3gd3 h SER 415 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3gd3 h SER 415 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3gd3 h SER 415 CO 1.00 0.00 -1.42 0.47 -0.87 0.00 0.00 176.83 176.01 3gd3 n ASP 416 N -2.83 0.47 0.00 4.97 10.43 -1.26 -4.56 116.55 123.76 3gd3 n ASP 416 Ca 0.03 0.11 0.00 0.00 2.57 0.00 0.00 54.79 57.50 3gd3 n ASP 416 Cb 0.42 1.15 0.00 0.00 1.84 0.00 0.00 41.12 44.53 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 -2.40 0.00 -0.39 1.24 3.72 -1.23 -5.12 117.46 113.27 3gd3 n PHE 417 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3gd3 n PHE 417 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 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 0.84 -3.23 0.00 1.37 0.00 -0.22 -4.75 105.19 99.20 3gd3 n GLY 418 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3gd3 n GLY 418 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 419 N -1.43 1.22 3.71 -0.02 0.00 -1.26 -4.36 105.19 103.06 3gd3 n GLY 419 Ca 0.00 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.66 3.21 -0.26 1.61 0.40 0.17 -1.64 117.98 119.81 3gd3 s PHE 420 Ca 0.00 1.01 -0.29 0.00 -0.60 0.00 0.00 56.93 57.05 3gd3 s PHE 420 Cb 0.00 -3.62 -0.01 0.00 0.51 0.00 0.00 43.02 39.90 3gd3 s PHE 420 CO 0.00 -2.14 1.43 1.03 0.70 0.00 0.00 175.22 176.24 3gd3 s ARG 421 N 1.37 3.88 0.14 0.44 0.52 -0.48 -0.43 118.95 124.39 3gd3 s ARG 421 Ca 0.63 1.43 0.06 0.00 -0.52 0.00 0.00 55.73 57.33 3gd3 s ARG 421 Cb -0.34 -3.94 -0.04 0.00 0.52 0.00 0.00 34.95 31.15 3gd3 s ARG 421 CO 0.29 -1.18 -0.14 0.14 0.02 0.00 0.00 175.30 174.44 3gd3 s VAL 422 N 4.68 1.40 0.00 3.52 -7.23 0.86 -4.75 120.40 118.87 3gd3 s VAL 422 Ca 0.62 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 3gd3 s VAL 422 Cb -0.20 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.07 3gd3 s VAL 422 CO 0.25 -0.48 0.00 -0.46 -0.31 0.00 0.00 175.10 174.10 3gd3 n ASN 423 N 0.28 -0.11 0.00 4.85 2.04 -1.13 -2.81 115.26 118.39 3gd3 n ASN 423 Ca -0.13 -0.53 0.09 0.00 -0.44 0.00 0.00 54.58 53.56 3gd3 n ASN 423 Cb 0.58 0.00 0.42 0.00 -2.53 0.00 0.00 39.78 38.25 3gd3 n ASN 423 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3gd3 n ALA 424 N -3.00 1.91 0.49 -2.53 0.00 -1.26 -1.67 120.51 114.44 3gd3 n ALA 424 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.44 3gd3 n ALA 424 Cb 0.00 -1.29 0.08 0.00 0.00 0.00 0.00 19.45 18.25 3gd3 n ALA 424 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gd3 n GLU 425 N -1.35 1.32 -1.21 0.00 1.02 -1.26 0.77 120.64 119.93 3gd3 n GLU 425 Ca 0.07 -1.51 -0.07 0.00 -0.02 0.00 0.00 57.16 55.63 3gd3 n GLU 425 Cb 0.16 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 3gd3 n GLU 425 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gd3 n LEU 426 N 0.83 -0.44 -4.72 -4.62 4.77 -0.67 -4.81 117.00 107.34 3gd3 n LEU 426 Ca 0.10 0.18 -0.37 0.00 -0.03 0.00 0.00 56.01 55.89 3gd3 n LEU 426 Cb 0.39 -1.47 -0.07 0.00 -2.33 0.00 0.00 43.42 39.94 3gd3 n LEU 426 CO 0.09 -0.45 0.02 -1.58 -1.33 0.00 0.00 177.39 174.14 3gd3 s GLN 427 N -2.39 4.26 -0.24 3.23 0.74 -1.26 -0.61 119.66 123.39 3gd3 s GLN 427 Ca 0.00 0.15 -0.05 0.00 0.05 0.00 0.00 55.36 55.52 3gd3 s GLN 427 Cb 0.00 -3.44 -0.18 0.00 1.10 0.00 0.00 33.01 30.49 3gd3 s GLN 427 CO 0.00 0.19 -0.12 0.00 -0.55 0.00 0.00 175.29 174.81 3gd3 n ALA 428 N 3.71 1.24 -3.25 1.58 0.00 0.31 -2.82 120.51 121.28 3gd3 n ALA 428 Ca -0.11 -0.97 -0.11 0.00 0.00 0.00 0.00 53.44 52.25 3gd3 n ALA 428 Cb 0.52 -0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.51 1.90 -0.52 0.00 0.52 -1.08 -4.98 118.95 112.27 3gd3 s ARG 429 Ca -0.33 -1.51 -0.42 0.00 -0.52 0.00 0.00 55.73 52.95 3gd3 s ARG 429 Cb 0.10 0.51 -0.18 0.00 0.52 0.00 0.00 34.95 35.89 3gd3 s ARG 429 CO 0.60 -0.82 2.19 0.43 0.02 0.00 0.00 175.30 177.72 3gd3 n SER 430 N -1.10 0.89 -0.18 0.23 7.64 -1.26 0.27 113.62 120.11 3gd3 n SER 430 Ca -0.02 0.60 -0.02 0.00 1.01 0.00 0.00 58.87 60.43 3gd3 n SER 430 Cb 0.61 -0.95 -0.01 0.00 -1.01 0.00 0.00 64.21 62.85 3gd3 n SER 430 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gd3 n ASN 431 N 8.08 -3.42 -3.88 6.43 3.02 -1.26 -5.00 115.26 119.22 3gd3 n ASN 431 Ca 0.54 0.06 -0.26 0.00 -0.03 0.00 0.00 54.58 54.89 3gd3 n ASN 431 Cb 0.00 -1.13 -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 -2.04 0.88 0.24 2.41 -1.09 0.14 -0.96 121.20 120.78 3gd3 s ILE 432 Ca 0.00 -0.21 0.10 0.00 -2.23 0.00 0.00 60.65 58.32 3gd3 s ILE 432 Cb 0.00 -0.93 -0.05 0.00 -1.58 0.00 0.00 42.46 39.91 3gd3 s ILE 432 CO 0.00 0.34 -0.19 0.26 -1.23 0.00 0.00 174.94 174.12 3gd3 s TRP 433 N 1.69 2.08 -0.03 3.97 0.51 -0.86 0.11 118.94 126.41 3gd3 s TRP 433 Ca 0.04 -0.41 0.03 0.00 -2.12 0.00 0.00 56.10 53.63 3gd3 s TRP 433 Cb -0.13 -0.94 -0.00 0.00 -0.81 0.00 0.00 33.47 31.59 3gd3 s TRP 433 CO -0.07 0.55 -0.13 0.08 -0.51 0.00 0.00 176.95 176.88 3gd3 s VAL 434 N -2.49 1.08 0.31 4.03 1.01 0.22 0.12 120.40 124.67 3gd3 s VAL 434 Ca 0.25 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3gd3 s VAL 434 Cb -0.04 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 3gd3 s VAL 434 CO 0.11 0.32 0.11 0.00 0.00 0.00 0.00 175.10 175.64 3gd3 s ALA 435 N 0.11 2.13 0.00 5.51 0.00 0.57 -4.81 121.76 125.27 3gd3 s ALA 435 Ca -0.03 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.14 3gd3 s ALA 435 Cb -0.10 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.95 3gd3 s ALA 435 CO 0.01 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3gd3 n GLY 436 N -0.62 2.06 0.23 0.00 0.00 -1.26 -3.81 105.19 101.79 3gd3 n GLY 436 Ca -0.01 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.52 3gd3 n GLY 436 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gd3 h ASP 437 N 8.45 0.00 -0.31 1.61 3.45 -1.91 -2.98 116.42 124.75 3gd3 h ASP 437 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3gd3 h ASP 437 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3gd3 h ASP 437 CO 0.00 0.18 0.00 0.00 -1.57 0.00 0.00 179.24 177.85 3gd3 n ALA 438 N -2.47 2.47 -2.81 3.45 0.00 -1.25 -4.72 120.51 115.17 3gd3 n ALA 438 Ca -0.02 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.32 3gd3 n ALA 438 Cb 0.25 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 3gd3 n ALA 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gd3 s ALA 439 N -1.60 3.28 -0.45 0.00 0.00 -1.13 -0.65 121.76 121.22 3gd3 s ALA 439 Ca 0.32 -1.73 -0.20 0.00 0.00 0.00 0.00 51.96 50.35 3gd3 s ALA 439 Cb 0.17 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.72 3gd3 s ALA 439 CO 0.25 -1.40 0.59 0.00 0.00 0.00 0.00 175.76 175.19 3gd3 s PHE 441 N 2.62 2.14 -0.11 0.00 -0.71 -0.31 -0.10 117.98 121.51 3gd3 s PHE 441 Ca 0.19 -0.39 -0.29 0.00 -1.04 0.00 0.00 56.93 55.39 3gd3 s PHE 441 Cb -0.16 -1.06 -0.01 0.00 -1.21 0.00 0.00 43.02 40.58 3gd3 s PHE 441 CO 0.16 0.45 0.98 -0.47 -1.34 0.00 0.00 175.22 175.00 3gd3 s TYR 442 N -1.80 3.50 -0.03 3.49 6.04 -1.12 -2.03 117.35 125.40 3gd3 s TYR 442 Ca 0.19 1.54 -0.14 0.00 0.04 0.00 0.00 57.07 58.70 3gd3 s TYR 442 Cb -0.07 -3.16 -0.05 0.00 -1.04 0.00 0.00 41.96 37.64 3gd3 s TYR 442 CO 0.09 -0.22 0.38 0.34 -1.54 0.00 0.00 175.55 174.60 3gd3 s ASP 443 N 1.10 6.74 -0.01 4.32 -1.08 -0.60 -4.10 116.67 123.03 3gd3 s ASP 443 Ca 0.47 0.88 -0.24 0.00 -0.52 0.00 0.00 52.55 53.14 3gd3 s ASP 443 Cb -0.18 -2.23 -0.19 0.00 -1.46 0.00 0.00 42.92 38.85 3gd3 s ASP 443 CO 0.17 0.30 1.23 0.40 0.52 0.00 0.00 175.17 177.79 3gd3 h ILE 444 N 3.86 1.42 -0.19 4.11 2.04 -1.85 -3.33 117.51 123.57 3gd3 h ILE 444 Ca -0.51 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 63.96 3gd3 h ILE 444 Cb 1.21 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 3gd3 h ILE 444 CO 0.63 0.37 -0.00 0.11 0.00 0.00 0.00 178.15 179.26 3gd3 h LYS 445 N -0.38 0.35 0.00 2.37 1.79 -1.95 -3.45 116.57 115.29 3gd3 h LYS 445 Ca 0.00 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3gd3 h LYS 445 Cb 0.64 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 3gd3 h LYS 445 CO 0.02 0.55 0.00 -0.11 -1.08 0.00 0.00 179.45 178.83 3gd3 n LEU 446 N -4.69 0.00 0.00 2.94 7.94 -1.25 -5.14 117.00 116.79 3gd3 n LEU 446 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 3gd3 n LEU 446 Cb 0.23 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.18 3gd3 n LEU 446 CO 0.37 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.26 3gd3 n GLY 447 N 5.00 1.98 3.74 -3.96 0.00 -1.26 -4.58 105.19 106.12 3gd3 n GLY 447 Ca 0.00 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 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 4.28 4.21 0.30 1.61 3.52 -1.26 -1.56 118.95 130.05 3gd3 s ARG 448 Ca 0.00 0.23 -0.00 0.00 -0.13 0.00 0.00 55.73 55.83 3gd3 s ARG 448 Cb 0.00 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3gd3 s ARG 448 CO 0.00 0.29 0.35 -0.98 -0.81 0.00 0.00 175.30 174.15 3gd3 s ARG 449 N 0.27 1.70 -0.08 5.12 1.70 -0.86 -4.98 118.95 121.83 3gd3 s ARG 449 Ca 0.20 -1.77 -0.04 0.00 -0.47 0.00 0.00 55.73 53.65 3gd3 s ARG 449 Cb -0.14 0.38 0.04 0.00 -0.57 0.00 0.00 34.95 34.66 3gd3 s ARG 449 CO 0.07 -0.66 0.18 0.50 -1.08 0.00 0.00 175.30 174.31 3gd3 s ARG 450 N -3.46 0.14 0.12 3.89 3.52 -1.26 -1.16 118.95 120.74 3gd3 s ARG 450 Ca 0.34 0.40 0.08 0.00 -0.13 0.00 0.00 55.73 56.43 3gd3 s ARG 450 Cb 0.02 -0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.24 3gd3 s ARG 450 CO 0.20 -0.15 -0.19 0.14 -0.81 0.00 0.00 175.30 174.50 3gd3 s VAL 451 N 1.06 1.68 -0.53 7.11 -7.23 -1.26 -5.07 120.40 116.15 3gd3 s VAL 451 Ca -0.08 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 58.49 3gd3 s VAL 451 Cb -0.10 -1.62 0.33 0.00 0.56 0.00 0.00 36.38 35.55 3gd3 s VAL 451 CO -0.06 -0.19 0.85 -0.62 -0.31 0.00 0.00 175.10 174.78 3gd3 n GLU 452 N 0.78 2.52 -4.74 4.82 1.02 -1.26 -4.16 120.64 119.62 3gd3 n GLU 452 Ca -0.17 -4.43 -0.33 0.00 -0.02 0.00 0.00 57.16 52.21 3gd3 n GLU 452 Cb 0.55 -2.07 -0.14 0.00 -0.02 0.00 0.00 31.44 29.76 3gd3 n GLU 452 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3gd3 s HIS 453 N -3.00 2.83 0.11 -0.32 3.76 -1.26 -5.02 115.29 112.38 3gd3 s HIS 453 Ca 0.45 -0.63 -0.22 0.00 -0.15 0.00 0.00 55.06 54.52 3gd3 s HIS 453 Cb 0.27 -1.85 -0.05 0.00 1.11 0.00 0.00 32.58 32.06 3gd3 s HIS 453 CO -0.11 -0.21 1.10 1.58 -0.85 0.00 0.00 174.74 176.25 3gd3 n HIS 454 N 3.55 -0.31 -0.20 1.40 -0.00 -1.26 0.27 115.22 118.67 3gd3 n HIS 454 Ca -0.18 0.87 -0.02 0.00 0.46 0.00 0.00 57.72 58.85 3gd3 n HIS 454 Cb 0.53 -0.55 0.05 0.00 -0.12 0.00 0.00 29.99 29.89 3gd3 n HIS 454 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 3gd3 h ASP 455 N 0.00 -0.72 -0.38 0.26 3.58 -1.96 0.28 116.42 117.48 3gd3 h ASP 455 Ca 0.11 0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.72 3gd3 h ASP 455 Cb 0.29 0.43 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 3gd3 h ASP 455 CO -0.66 -0.24 0.09 -0.74 -2.88 0.00 0.00 179.24 174.82 3gd3 h HIS 456 N -0.05 0.64 -0.09 0.28 2.76 -1.58 -0.42 115.15 116.69 3gd3 h HIS 456 Ca 0.28 -0.08 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 3gd3 h HIS 456 Cb 0.49 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 3gd3 h HIS 456 CO -0.54 0.62 0.15 0.00 -1.30 0.00 0.00 177.93 176.87 3gd3 h ALA 457 N 0.94 1.50 0.00 5.26 0.00 0.19 0.79 119.26 127.94 3gd3 h ALA 457 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gd3 h ALA 457 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3gd3 h ALA 457 CO 0.00 -0.20 -0.11 0.28 0.00 0.00 0.00 179.25 179.23 3gd3 h VAL 458 N 0.00 0.00 -0.80 0.00 2.07 0.22 -2.52 116.25 115.23 3gd3 h VAL 458 Ca 0.04 -0.86 0.10 0.00 0.82 0.00 0.00 66.70 66.80 3gd3 h VAL 458 Cb 0.35 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 3gd3 h VAL 458 CO -0.00 0.00 0.43 0.58 0.02 0.00 0.00 177.57 178.60 3gd3 h VAL 459 N -0.86 0.86 -0.27 2.57 2.07 -0.60 0.10 116.25 120.13 3gd3 h VAL 459 Ca 0.00 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3gd3 h VAL 459 Cb 0.11 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3gd3 h VAL 459 CO 0.00 0.13 -0.09 0.77 0.02 0.00 0.00 177.57 178.40 3gd3 h SER 460 N 0.71 0.54 0.35 0.57 4.64 -1.08 -0.24 113.55 119.04 3gd3 h SER 460 Ca 0.39 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gd3 h SER 460 Cb 0.41 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3gd3 h SER 460 CO -0.27 0.80 0.00 1.23 -0.87 0.00 0.00 176.83 177.72 3gd3 h GLY 461 N 0.27 0.00 0.00 -0.77 0.00 -1.11 0.79 103.07 102.25 3gd3 h GLY 461 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3gd3 h GLY 461 CO 0.03 0.00 -0.04 -0.09 0.00 0.00 0.00 176.54 176.44 3gd3 h ARG 462 N 0.00 0.00 -1.12 4.80 2.43 -0.37 0.25 114.38 120.37 3gd3 h ARG 462 Ca 0.00 0.00 0.33 0.00 -0.81 0.00 0.00 59.98 59.50 3gd3 h ARG 462 Cb 0.17 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.61 3gd3 h ARG 462 CO 0.00 0.00 0.71 1.25 -1.51 0.00 0.00 179.97 180.42 3gd3 h LEU 463 N -0.20 0.40 0.58 3.80 5.85 -0.83 -0.13 115.31 124.78 3gd3 h LEU 463 Ca 0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3gd3 h LEU 463 Cb 0.04 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.14 3gd3 h LEU 463 CO 0.00 -0.03 -0.28 0.00 -0.34 0.00 0.00 178.44 177.79 3gd3 h ALA 464 N 1.65 -1.19 -0.53 1.25 0.00 -1.03 0.96 119.26 120.37 3gd3 h ALA 464 Ca 0.69 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.49 3gd3 h ALA 464 Cb 1.86 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 19.86 3gd3 h ALA 464 CO -0.38 -1.13 -0.52 0.78 0.00 0.00 0.00 179.25 178.00 3gd3 h GLY 465 N -0.79 -0.80 -0.85 0.00 0.00 -1.18 0.80 103.07 100.25 3gd3 h GLY 465 Ca -0.08 0.67 0.11 0.00 0.00 0.00 0.00 47.33 48.03 3gd3 h GLY 465 CO 0.13 -0.12 -0.40 -2.21 0.00 0.00 0.00 176.54 173.95 3gd3 n GLU 466 N -5.37 -0.27 0.19 4.80 2.13 -0.30 -0.55 120.64 121.26 3gd3 n GLU 466 Ca -0.01 1.30 0.04 0.00 0.66 0.00 0.00 57.16 59.15 3gd3 n GLU 466 Cb 0.34 -1.92 0.37 0.00 0.27 0.00 0.00 31.44 30.49 3gd3 n GLU 466 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3gd3 h ASN 467 N 0.00 0.00 -0.64 4.31 -0.26 0.39 -2.13 115.58 117.25 3gd3 h ASN 467 Ca 0.23 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.95 3gd3 h ASN 467 Cb 0.45 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.67 3gd3 h ASN 467 CO -0.83 0.38 0.30 0.24 -1.06 0.00 0.00 177.43 176.46 3gd3 h MET 468 N 0.00 0.95 -1.51 0.81 2.86 0.30 -1.64 114.93 116.71 3gd3 h MET 468 Ca -0.00 -0.14 -0.18 0.00 -2.06 0.00 0.00 59.70 57.32 3gd3 h MET 468 Cb 0.76 -0.17 -0.08 0.00 0.06 0.00 0.00 31.60 32.16 3gd3 h MET 468 CO 0.05 0.75 0.23 0.25 1.06 0.00 0.00 176.91 179.25 3gd3 n THR 469 N -4.33 2.23 0.00 2.22 -2.24 -0.55 -4.80 114.28 106.80 3gd3 n THR 469 Ca 0.06 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 3gd3 n THR 469 Cb 0.15 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 0.58 2.06 0.38 3.38 0.00 -0.62 -4.93 105.19 106.04 3gd3 n GLY 470 Ca 0.18 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 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 1.97 -4.63 4.61 0.00 -1.56 -3.46 119.26 116.19 3gd3 h ALA 471 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.69 3gd3 h ALA 471 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3gd3 h ALA 471 CO 0.00 -0.34 -0.40 0.00 0.00 0.00 0.00 179.25 178.50 3gd3 n ALA 472 N -2.41 -0.92 -1.79 0.00 0.00 -1.26 -4.96 120.51 109.17 3gd3 n ALA 472 Ca 0.23 0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.40 3gd3 n ALA 472 Cb 0.71 -2.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.06 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 -5.47 4.54 1.01 0.00 1.02 -1.26 -5.07 119.74 114.51 3gd3 s LYS 473 Ca 0.18 1.30 -0.15 0.00 0.02 0.00 0.00 55.97 57.32 3gd3 s LYS 473 Cb -0.09 -2.72 0.19 0.00 -0.52 0.00 0.00 37.83 34.69 3gd3 s LYS 473 CO 0.22 0.24 1.16 -1.25 -0.92 0.00 0.00 175.35 174.80 3gd3 s PRO 474 N -2.20 0.35 -0.68 -1.68 0.04 -1.26 -4.59 135.00 124.97 3gd3 s PRO 474 Ca 0.52 0.10 -0.21 0.00 0.04 0.00 0.00 61.00 61.44 3gd3 s PRO 474 Cb -0.17 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.69 3gd3 s PRO 474 CO 0.22 -2.70 0.91 -0.47 0.04 0.00 0.00 177.00 175.01 3gd3 s TYR 475 N -3.28 2.83 -0.69 0.56 5.04 0.23 -4.93 117.35 117.11 3gd3 s TYR 475 Ca 0.68 -0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 54.50 3gd3 s TYR 475 Cb -0.12 -4.21 0.18 0.00 0.35 0.00 0.00 41.96 38.15 3gd3 s TYR 475 CO 0.54 -1.53 0.52 -1.58 -1.34 0.00 0.00 175.55 172.17 3gd3 s TRP 476 N 3.48 3.52 -0.25 4.97 0.51 -1.26 -4.68 118.94 125.23 3gd3 s TRP 476 Ca 0.20 -2.84 -0.22 0.00 -2.12 0.00 0.00 56.10 51.13 3gd3 s TRP 476 Cb -0.17 -3.18 0.07 0.00 -0.81 0.00 0.00 33.47 29.38 3gd3 s TRP 476 CO 0.06 -0.80 0.66 -1.58 -0.51 0.00 0.00 176.95 174.79 3gd3 s HIS 477 N -0.47 -0.77 -0.47 -1.98 2.46 -1.26 -5.11 115.29 107.70 3gd3 s HIS 477 Ca 0.20 1.81 -0.17 0.00 0.47 0.00 0.00 55.06 57.37 3gd3 s HIS 477 Cb -0.16 0.30 0.05 0.00 -0.13 0.00 0.00 32.58 32.64 3gd3 s HIS 477 CO -0.06 -0.37 0.46 -0.65 -2.47 0.00 0.00 174.74 171.65 3gd3 s GLN 478 N 0.54 3.04 0.31 2.88 -0.21 -1.26 -5.06 119.66 119.90 3gd3 s GLN 478 Ca -0.02 -1.08 -0.29 0.00 0.02 0.00 0.00 55.36 54.00 3gd3 s GLN 478 Cb -0.05 -4.08 -0.10 0.00 1.00 0.00 0.00 33.01 29.79 3gd3 s GLN 478 CO -0.02 -1.03 1.13 0.45 -2.12 0.00 0.00 175.29 173.70 3gd3 s SER 479 N 2.41 7.10 0.21 5.90 0.15 -1.26 -5.05 113.70 123.17 3gd3 s SER 479 Ca 0.09 2.32 0.09 0.00 0.70 0.00 0.00 55.95 59.15 3gd3 s SER 479 Cb -0.21 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.43 3gd3 s SER 479 CO 0.10 -0.26 -0.05 0.00 1.20 0.00 0.00 173.24 174.22 3gd3 s MET 480 N -1.64 2.19 -0.01 5.44 0.23 -1.26 -4.48 119.30 119.77 3gd3 s MET 480 Ca 0.47 -1.32 -0.02 0.00 -1.03 0.00 0.00 55.69 53.80 3gd3 s MET 480 Cb -0.32 -2.18 -0.00 0.00 -1.53 0.00 0.00 34.83 30.80 3gd3 s MET 480 CO 0.41 0.41 0.04 0.12 -2.03 0.00 0.00 175.02 173.97 3gd3 s PHE 481 N -1.97 0.04 0.22 3.16 5.36 -0.99 -4.24 117.98 119.56 3gd3 s PHE 481 Ca 0.28 -0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.19 3gd3 s PHE 481 Cb -0.08 -0.04 -0.05 0.00 -0.34 0.00 0.00 43.02 42.51 3gd3 s PHE 481 CO 0.17 -0.09 0.07 1.67 -1.46 0.00 0.00 175.22 175.58 3gd3 s TRP 482 N -0.49 1.37 -0.20 10.12 -2.14 -1.26 -0.75 118.94 125.59 3gd3 s TRP 482 Ca -0.05 -1.16 -0.13 0.00 2.66 0.00 0.00 56.10 57.42 3gd3 s TRP 482 Cb -0.03 -0.78 0.06 0.00 -3.10 0.00 0.00 33.47 29.62 3gd3 s TRP 482 CO -0.00 -0.34 0.50 0.45 -2.66 0.00 0.00 176.95 174.90 3gd3 s SER 483 N -3.24 -0.61 -0.34 -2.66 0.15 -1.14 -4.99 113.70 100.87 3gd3 s SER 483 Ca 0.33 1.06 -0.02 0.00 0.70 0.00 0.00 55.95 58.03 3gd3 s SER 483 Cb 0.07 0.98 0.07 0.00 -1.71 0.00 0.00 66.02 65.44 3gd3 s SER 483 CO 0.10 -0.20 0.08 -1.81 1.20 0.00 0.00 173.24 172.61 3gd3 s ASP 484 N 1.10 5.03 -1.22 5.45 1.11 -1.26 -0.85 116.67 126.03 3gd3 s ASP 484 Ca -0.07 -1.60 -0.20 0.00 0.18 0.00 0.00 52.55 50.86 3gd3 s ASP 484 Cb -0.06 -1.76 0.01 0.00 1.07 0.00 0.00 42.92 42.18 3gd3 s ASP 484 CO -0.10 -0.37 1.79 -0.76 1.18 0.00 0.00 175.17 176.90 3gd3 s LEU 485 N 1.19 3.52 0.00 1.23 1.43 -0.56 -4.88 118.68 120.62 3gd3 s LEU 485 Ca 0.01 -2.03 0.00 0.00 -1.03 0.00 0.00 54.13 51.08 3gd3 s LEU 485 Cb -0.21 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3gd3 s LEU 485 CO -0.02 -1.90 0.00 0.61 0.23 0.00 0.00 176.35 175.26 3gd3 n GLY 486 N 5.72 0.79 0.23 -3.19 0.00 -1.26 -3.08 105.19 104.40 3gd3 n GLY 486 Ca 0.46 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.86 3gd3 n GLY 486 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gd3 h PRO 487 N 0.00 0.00 0.04 1.61 0.11 -1.98 -3.39 132.00 128.39 3gd3 h PRO 487 Ca 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 3gd3 h PRO 487 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3gd3 h PRO 487 CO 0.00 0.08 -1.00 -0.44 -0.21 0.00 0.00 178.00 176.43 3gd3 h ASP 488 N 0.00 0.12 -3.30 -2.05 5.19 -1.98 -3.12 116.42 111.27 3gd3 h ASP 488 Ca -0.00 -0.74 -0.64 0.00 -0.62 0.00 0.00 57.03 55.03 3gd3 h ASP 488 Cb 0.83 -0.04 -0.22 0.00 0.18 0.00 0.00 39.33 40.08 3gd3 h ASP 488 CO 0.01 1.41 -0.68 -0.69 -3.12 0.00 0.00 179.24 176.17 3gd3 s VAL 489 N -2.36 3.77 -0.05 -1.35 1.01 -1.18 -4.44 120.40 115.79 3gd3 s VAL 489 Ca -0.24 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.39 3gd3 s VAL 489 Cb 0.03 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 3gd3 s VAL 489 CO 0.67 0.50 -0.18 -0.83 0.00 0.00 0.00 175.10 175.26 3gd3 s GLY 490 N 0.35 1.00 0.20 4.51 0.00 -1.26 -1.49 107.32 110.63 3gd3 s GLY 490 Ca -0.05 -0.74 0.10 0.00 0.00 0.00 0.00 44.72 44.03 3gd3 s GLY 490 CO 0.03 -0.36 -0.15 -0.19 0.00 0.00 0.00 173.10 172.44 3gd3 s TYR 491 N 0.07 2.50 -0.09 1.90 1.51 -0.03 0.75 117.35 123.96 3gd3 s TYR 491 Ca -0.06 -0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 55.61 3gd3 s TYR 491 Cb -0.13 -1.20 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 3gd3 s TYR 491 CO 0.03 0.54 0.30 -1.21 -1.11 0.00 0.00 175.55 174.09 3gd3 s GLU 492 N -2.90 0.43 0.13 -0.62 2.02 0.10 -2.86 118.70 115.00 3gd3 s GLU 492 Ca 0.24 0.25 0.02 0.00 0.02 0.00 0.00 54.97 55.51 3gd3 s GLU 492 Cb -0.08 0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 3gd3 s GLU 492 CO 0.14 -0.08 -0.05 0.00 0.02 0.00 0.00 175.26 175.29 3gd3 s ALA 493 N -0.24 1.22 0.00 5.21 0.00 0.07 0.92 121.76 128.94 3gd3 s ALA 493 Ca -0.04 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.46 3gd3 s ALA 493 Cb -0.03 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.35 3gd3 s ALA 493 CO 0.01 -0.23 0.00 1.51 0.00 0.00 0.00 175.76 177.05 3gd3 n ILE 494 N -0.15 0.00 0.00 0.00 0.00 -0.68 -2.34 119.36 116.19 3gd3 n ILE 494 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.65 3gd3 n ILE 494 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.26 3gd3 n ILE 494 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gd3 n GLY 495 N 0.00 -0.90 3.43 4.50 0.00 -1.26 -0.01 105.19 110.95 3gd3 n GLY 495 Ca 0.00 -2.03 -0.44 0.00 0.00 0.00 0.00 46.02 43.55 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 5.34 -0.14 0.99 2.96 -1.01 -4.88 118.68 121.94 3gd3 s LEU 496 Ca 0.00 -2.09 -0.25 0.00 -0.22 0.00 0.00 54.13 51.57 3gd3 s LEU 496 Cb 0.00 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 3gd3 s LEU 496 CO 0.00 -1.00 0.81 0.68 -1.32 0.00 0.00 176.35 175.53 3gd3 s VAL 497 N 2.31 4.91 -0.30 1.68 -7.23 -1.26 -4.53 120.40 115.98 3gd3 s VAL 497 Ca 0.29 1.62 -0.15 0.00 -1.81 0.00 0.00 61.98 61.93 3gd3 s VAL 497 Cb -0.07 -4.13 0.15 0.00 0.56 0.00 0.00 36.38 32.89 3gd3 s VAL 497 CO -0.08 0.08 0.93 -0.62 -0.31 0.00 0.00 175.10 175.10 3gd3 s ASP 498 N 1.08 -0.65 0.40 4.85 -1.08 -1.26 -4.94 116.67 115.07 3gd3 s ASP 498 Ca 0.39 0.93 0.22 0.00 -0.52 0.00 0.00 52.55 53.56 3gd3 s ASP 498 Cb -0.17 1.61 0.51 0.00 -1.46 0.00 0.00 42.92 43.40 3gd3 s ASP 498 CO 0.15 -0.13 1.65 0.77 0.52 0.00 0.00 175.17 178.12 3gd3 h SER 499 N 7.16 0.00 0.93 -0.34 4.64 -1.63 -3.05 113.55 121.27 3gd3 h SER 499 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3gd3 h SER 499 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3gd3 h SER 499 CO 0.12 0.23 0.00 -1.54 -0.87 0.00 0.00 176.83 174.77 3gd3 n SER 500 N -3.22 0.34 -4.90 4.97 3.41 -1.26 -4.77 113.62 108.18 3gd3 n SER 500 Ca 0.02 0.55 -0.28 0.00 -0.26 0.00 0.00 58.87 58.90 3gd3 n SER 500 Cb 0.55 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 3gd3 n SER 500 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gd3 s LEU 501 N -3.69 3.72 0.87 1.04 1.43 -1.15 -5.08 118.68 115.82 3gd3 s LEU 501 Ca 0.09 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.01 3gd3 s LEU 501 Cb 0.13 -3.87 0.05 0.00 0.03 0.00 0.00 46.19 42.53 3gd3 s LEU 501 CO 0.45 -0.49 0.76 -2.65 0.23 0.00 0.00 176.35 174.65 3gd3 n PRO 502 N -1.90 -0.09 -3.63 1.29 -0.02 -1.26 -4.95 135.00 124.44 3gd3 n PRO 502 Ca 0.01 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.39 3gd3 n PRO 502 Cb 0.55 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 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 -2.27 0.00 -0.13 3.45 2.01 -1.26 -3.19 115.64 114.24 3gd3 s THR 503 Ca 0.64 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.66 3gd3 s THR 503 Cb -0.26 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.26 3gd3 s THR 503 CO 0.60 0.00 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.65 3gd3 s VAL 504 N 0.44 1.79 -0.03 3.82 1.01 -0.88 -4.98 120.40 121.57 3gd3 s VAL 504 Ca -0.00 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3gd3 s VAL 504 Cb -0.05 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3gd3 s VAL 504 CO -0.01 0.50 -0.09 -0.83 0.00 0.00 0.00 175.10 174.66 3gd3 s GLY 505 N 1.00 1.67 -0.03 4.51 0.00 -1.26 -0.32 107.32 112.89 3gd3 s GLY 505 Ca -0.04 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.70 3gd3 s GLY 505 CO -0.04 -0.80 -0.02 0.14 0.00 0.00 0.00 173.10 172.38 3gd3 s VAL 506 N -0.87 0.29 0.07 1.40 1.01 0.31 -5.01 120.40 117.60 3gd3 s VAL 506 Ca 0.14 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3gd3 s VAL 506 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 3gd3 s VAL 506 CO 0.04 0.16 -0.09 -0.36 0.00 0.00 0.00 175.10 174.84 3gd3 s PHE 507 N 0.83 0.89 0.35 5.22 0.40 -1.26 -0.67 117.98 123.74 3gd3 s PHE 507 Ca -0.09 -0.57 0.08 0.00 -0.60 0.00 0.00 56.93 55.75 3gd3 s PHE 507 Cb -0.12 -0.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.87 3gd3 s PHE 507 CO -0.01 -0.04 0.28 0.00 0.70 0.00 0.00 175.22 176.15 3gd3 s ALA 508 N -1.82 2.01 0.29 5.36 0.00 0.06 -4.76 121.76 122.91 3gd3 s ALA 508 Ca -0.03 -2.02 -0.29 0.00 0.00 0.00 0.00 51.96 49.62 3gd3 s ALA 508 Cb -0.07 1.43 -0.10 0.00 0.00 0.00 0.00 23.12 24.38 3gd3 s ALA 508 CO 0.00 -0.64 1.22 0.15 0.00 0.00 0.00 175.76 176.49 3gd3 s LYS 509 N -3.42 4.48 -0.42 0.00 1.02 -1.26 -2.42 119.74 117.72 3gd3 s LYS 509 Ca 0.39 2.03 -0.15 0.00 0.02 0.00 0.00 55.97 58.26 3gd3 s LYS 509 Cb 0.02 -3.14 0.03 0.00 -0.52 0.00 0.00 37.83 34.22 3gd3 s LYS 509 CO 0.28 -0.03 0.33 0.00 -0.92 0.00 0.00 175.35 175.01 3gd3 s ALA 510 N -0.99 3.48 0.87 5.17 0.00 -1.26 -4.58 121.76 124.46 3gd3 s ALA 510 Ca 0.48 -1.75 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 3gd3 s ALA 510 Cb -0.36 -2.94 0.12 0.00 0.00 0.00 0.00 23.12 19.94 3gd3 s ALA 510 CO 0.46 -1.52 1.11 -0.08 0.00 0.00 0.00 175.76 175.73 3gd3 s THR 511 N 1.74 2.66 0.61 0.00 -1.32 -1.26 -4.85 115.64 113.21 3gd3 s THR 511 Ca 0.06 0.21 0.25 0.00 -1.21 0.00 0.00 61.69 61.01 3gd3 s THR 511 Cb -0.19 -2.49 0.35 0.00 -1.51 0.00 0.00 72.50 68.66 3gd3 s THR 511 CO 0.10 -0.28 1.48 0.00 -2.21 0.00 0.00 174.62 173.71 3gd3 h ALA 512 N -1.58 2.59 0.00 11.08 0.00 -2.03 0.93 119.26 130.24 3gd3 h ALA 512 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gd3 h ALA 512 Cb 1.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3gd3 h ALA 512 CO 0.48 -1.33 -0.58 1.96 0.00 0.00 0.00 179.25 179.78 3gd3 h GLN 513 N 0.00 0.00 -2.42 0.00 7.50 -1.99 -3.42 115.11 114.78 3gd3 h GLN 513 Ca 0.35 0.00 -0.63 0.00 0.50 0.00 0.00 58.65 58.88 3gd3 h GLN 513 Cb 2.25 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 29.66 3gd3 h GLN 513 CO -0.00 0.00 1.74 -0.25 -1.50 0.00 0.00 178.83 178.82 3gd3 n ASP 514 N -2.31 7.45 -3.58 1.46 10.43 0.32 -4.36 116.55 125.97 3gd3 n ASP 514 Ca 0.03 -3.07 -0.15 0.00 2.57 0.00 0.00 54.79 54.17 3gd3 n ASP 514 Cb 0.47 -1.34 -0.06 0.00 1.84 0.00 0.00 41.12 42.02 3gd3 n ASP 514 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3gd3 s ASN 515 N 0.63 -0.49 0.36 -2.24 4.22 -1.26 -4.76 114.94 111.41 3gd3 s ASN 515 Ca 0.58 0.36 0.09 0.00 -2.14 0.00 0.00 52.86 51.75 3gd3 s ASN 515 Cb 0.25 0.49 0.83 0.00 1.28 0.00 0.00 41.25 44.10 3gd3 s ASN 515 CO -0.13 -0.65 1.87 -0.65 -2.04 0.00 0.00 177.10 175.51 3gd3 h PRO 516 N 3.00 0.66 0.28 3.55 0.11 -1.78 -0.76 132.00 137.06 3gd3 h PRO 516 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3gd3 h PRO 516 Cb 1.18 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3gd3 h PRO 516 CO 0.40 0.44 -0.39 -0.22 -0.21 0.00 0.00 178.00 178.02 3gd3 h LYS 517 N 0.68 -0.70 -0.18 1.05 3.64 -1.87 0.91 116.57 120.10 3gd3 h LYS 517 Ca 0.44 0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.76 3gd3 h LYS 517 Cb 0.71 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 3gd3 h LYS 517 CO -0.20 -0.47 -0.35 0.77 -2.27 0.00 0.00 179.45 176.94 3gd3 h SER 518 N -0.73 0.39 -0.82 4.20 0.02 -1.62 0.34 113.55 115.34 3gd3 h SER 518 Ca -0.01 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3gd3 h SER 518 Cb 0.69 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 3gd3 h SER 518 CO -0.13 0.72 0.48 0.00 -1.14 0.00 0.00 176.83 176.76 3gd3 h ALA 519 N 1.31 1.29 -0.04 3.77 0.00 -1.00 0.28 119.26 124.87 3gd3 h ALA 519 Ca 0.04 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3gd3 h ALA 519 Cb 0.77 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3gd3 h ALA 519 CO 0.06 0.60 -0.49 1.15 0.00 0.00 0.00 179.25 180.56 3gd3 h THR 520 N 1.14 1.42 -0.29 0.00 2.02 0.19 -1.57 112.91 115.83 3gd3 h THR 520 Ca 0.30 -1.94 0.06 0.00 0.77 0.00 0.00 66.41 65.59 3gd3 h THR 520 Cb -0.02 2.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.80 3gd3 h THR 520 CO -0.05 0.56 -0.07 -0.33 0.37 0.00 0.00 175.52 176.00 3gd3 h GLU 521 N -0.10 -0.00 -0.44 6.66 5.08 -0.28 0.14 114.58 125.64 3gd3 h GLU 521 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3gd3 h GLU 521 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3gd3 h GLU 521 CO 0.10 -0.00 0.25 1.96 -1.00 0.00 0.00 179.01 180.32 3gd3 h GLN 522 N -0.00 0.61 -0.01 2.33 4.20 -0.41 -2.83 115.11 119.00 3gd3 h GLN 522 Ca 0.14 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3gd3 h GLN 522 Cb 0.21 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3gd3 h GLN 522 CO -0.30 0.47 -0.22 -1.13 -0.67 0.00 0.00 178.83 176.98 3gd3 n SER 523 N -4.72 1.64 0.00 1.46 3.41 -0.59 -4.95 113.62 109.87 3gd3 n SER 523 Ca 0.01 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 3gd3 n SER 523 Cb 0.07 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 1.33 2.42 3.29 5.00 0.00 0.47 -4.97 105.19 112.73 3gd3 n GLY 524 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.45 1.90 -0.59 2.61 -1.32 -1.04 -4.89 115.64 110.87 3gd3 s THR 525 Ca 0.00 -1.23 0.02 0.00 -1.21 0.00 0.00 61.69 59.28 3gd3 s THR 525 Cb 0.00 -1.62 0.40 0.00 -1.51 0.00 0.00 72.50 69.77 3gd3 s THR 525 CO 0.00 0.35 1.51 0.61 -2.21 0.00 0.00 174.62 174.88 3gd3 n GLY 526 N 1.98 5.87 2.74 6.08 0.00 -1.26 -4.28 105.19 116.32 3gd3 n GLY 526 Ca -0.17 -2.62 -0.29 0.00 0.00 0.00 0.00 46.02 42.94 3gd3 n GLY 526 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gd3 s ILE 527 N -5.23 1.63 0.28 -0.61 -1.09 -1.26 -4.99 121.20 109.92 3gd3 s ILE 527 Ca 0.51 -2.79 -0.03 0.00 -2.23 0.00 0.00 60.65 56.12 3gd3 s ILE 527 Cb 0.42 -2.13 0.34 0.00 -1.58 0.00 0.00 42.46 39.52 3gd3 s ILE 527 CO -0.23 -0.90 1.61 -0.09 -1.23 0.00 0.00 174.94 174.09 3gd3 h ARG 528 N 6.56 0.07 -1.05 2.79 9.65 -2.00 0.55 114.38 130.95 3gd3 h ARG 528 Ca 0.00 -0.00 0.28 0.00 -1.10 0.00 0.00 59.98 59.15 3gd3 h ARG 528 Cb 0.91 -0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 29.38 3gd3 h ARG 528 CO 0.52 0.05 0.68 0.66 2.80 0.00 0.00 179.97 184.68 3gd3 h SER 529 N 0.07 0.41 0.23 -3.80 4.64 -1.95 0.42 113.55 113.58 3gd3 h SER 529 Ca 0.50 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.89 3gd3 h SER 529 Cb 0.96 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3gd3 h SER 529 CO -0.78 0.07 -0.11 -0.33 -0.87 0.00 0.00 176.83 174.81 3gd3 h GLU 530 N 0.36 -0.30 -0.44 4.77 5.08 -1.18 -2.80 114.58 120.07 3gd3 h GLU 530 Ca 0.60 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.90 3gd3 h GLU 530 Cb 1.58 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 3gd3 h GLU 530 CO -0.28 0.01 -0.04 0.66 -1.00 0.00 0.00 179.01 178.35 3gd3 h SER 531 N -0.62 0.71 1.96 1.42 4.64 -1.05 -2.67 113.55 117.95 3gd3 h SER 531 Ca -0.03 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3gd3 h SER 531 Cb 0.44 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3gd3 h SER 531 CO 0.05 0.80 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.46 3gd3 h GLU 532 N 0.68 0.00 0.00 4.77 4.39 -1.14 -3.48 114.58 119.80 3gd3 h GLU 532 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3gd3 h GLU 532 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3gd3 h GLU 532 CO 0.02 0.02 0.00 0.25 -1.16 0.00 0.00 179.01 178.14 3gd3 n THR 533 N -3.10 0.00 -1.67 1.13 -2.24 -1.01 -4.50 114.28 102.89 3gd3 n THR 533 Ca 0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 3gd3 n THR 533 Cb 0.53 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.94 3gd3 n THR 533 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gd3 n GLU 534 N -0.43 1.85 -3.91 -0.78 1.02 -1.26 -4.78 120.64 112.34 3gd3 n GLU 534 Ca 0.00 -3.41 -0.26 0.00 -0.02 0.00 0.00 57.16 53.46 3gd3 n GLU 534 Cb 0.00 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 29.70 3gd3 n GLU 534 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3gd3 s SER 535 N -3.28 6.35 -0.37 1.62 1.04 -1.26 -5.03 113.70 112.77 3gd3 s SER 535 Ca 0.40 0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.98 3gd3 s SER 535 Cb 0.38 -1.92 0.07 0.00 0.10 0.00 0.00 66.02 64.64 3gd3 s SER 535 CO -0.06 0.04 0.15 -0.70 0.98 0.00 0.00 173.24 173.65 3gd3 s GLU 536 N -3.23 2.39 -0.18 4.02 2.12 -1.26 -4.36 118.70 118.19 3gd3 s GLU 536 Ca 0.35 -1.46 -0.37 0.00 0.36 0.00 0.00 54.97 53.85 3gd3 s GLU 536 Cb -0.11 -3.51 -0.17 0.00 0.26 0.00 0.00 34.13 30.60 3gd3 s GLU 536 CO 0.29 -0.84 1.11 0.00 -0.54 0.00 0.00 175.26 175.27 3gd3 n ALA 537 N 4.73 -2.36 -0.86 6.30 0.00 -0.83 -4.89 120.51 122.61 3gd3 n ALA 537 Ca -0.09 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3gd3 n ALA 537 Cb 0.43 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3gd3 n ALA 537 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gd3 n SER 538 N 2.19 0.00 -3.81 0.00 3.41 -1.26 -4.73 113.62 109.41 3gd3 n SER 538 Ca 0.21 0.57 -0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3gd3 n SER 538 Cb 0.02 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 63.75 3gd3 n SER 538 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gd3 s GLU 539 N -1.29 0.03 -0.08 4.33 2.02 -1.26 -5.14 118.70 117.30 3gd3 s GLU 539 Ca 0.00 0.15 0.04 0.00 0.02 0.00 0.00 54.97 55.17 3gd3 s GLU 539 Cb 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.14 3gd3 s GLU 539 CO 0.00 -0.08 -0.21 0.42 0.02 0.00 0.00 175.26 175.41 3gd3 s ILE 540 N 0.53 1.81 0.39 -1.63 -1.09 -1.26 -5.13 121.20 114.83 3gd3 s ILE 540 Ca -0.04 -0.89 0.03 0.00 -2.23 0.00 0.00 60.65 57.53 3gd3 s ILE 540 Cb -0.06 -1.58 -0.04 0.00 -1.58 0.00 0.00 42.46 39.21 3gd3 s ILE 540 CO -0.02 0.51 0.09 0.42 -1.23 0.00 0.00 174.94 174.71 3gd3 s THR 541 N 0.34 0.89 -0.44 2.92 -4.23 -1.26 -5.12 115.64 108.75 3gd3 s THR 541 Ca -0.16 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.07 3gd3 s THR 541 Cb -0.17 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.21 3gd3 s THR 541 CO 0.07 0.00 1.08 -0.63 -0.54 0.00 0.00 174.62 174.60 3gd3 s ILE 542 N -3.19 4.32 -0.26 2.99 -1.09 -1.26 -5.01 121.20 117.71 3gd3 s ILE 542 Ca 0.26 1.26 -0.20 0.00 -2.23 0.00 0.00 60.65 59.74 3gd3 s ILE 542 Cb 0.05 -4.53 -0.02 0.00 -1.58 0.00 0.00 42.46 36.38 3gd3 s ILE 542 CO 0.13 -0.85 0.61 -2.16 -1.23 0.00 0.00 174.94 171.44 3gd3 s PRO 543 N 4.14 4.10 0.12 2.79 0.04 -1.26 -5.03 135.00 139.90 3gd3 s PRO 543 Ca 0.45 0.49 -0.35 0.00 0.04 0.00 0.00 61.00 61.63 3gd3 s PRO 543 Cb -0.09 -3.65 -0.16 0.00 0.04 0.00 0.00 34.50 30.64 3gd3 s PRO 543 CO 0.27 -0.40 1.34 -2.30 0.04 0.00 0.00 177.00 175.94 3gd3 n PRO 544 N 5.68 1.31 0.00 0.56 -0.02 -1.26 -4.99 135.00 136.28 3gd3 n PRO 544 Ca -0.01 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3gd3 n PRO 544 Cb 0.49 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3gd3 n PRO 544 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gd3 n SER 545 N 2.52 0.00 0.00 2.55 3.41 -1.26 -5.20 113.62 115.64 3gd3 n SER 545 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3gd3 n SER 545 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3gd3 n SER 545 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3gd3 n VAL 554 N -0.42 0.00 -4.17 -3.33 3.14 -1.26 -5.31 118.33 106.98 3gd3 n VAL 554 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 3gd3 n VAL 554 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 3gd3 n VAL 554 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3gd3 s GLU 555 N -3.02 1.81 0.08 1.45 2.02 -1.26 -5.07 118.70 114.71 3gd3 s GLU 555 Ca 0.00 -1.86 -0.14 0.00 0.02 0.00 0.00 54.97 52.99 3gd3 s GLU 555 Cb 0.00 0.39 -0.19 0.00 0.10 0.00 0.00 34.13 34.43 3gd3 s GLU 555 CO 0.00 -0.71 1.25 0.78 0.02 0.00 0.00 175.26 176.60 3gd3 h GLY 556 N 2.15 0.78 2.00 -1.39 0.00 -2.03 -3.25 103.07 101.33 3gd3 h GLY 556 Ca -0.27 -1.19 0.00 0.00 0.00 0.00 0.00 47.33 45.87 3gd3 h GLY 556 CO 0.38 1.06 0.00 0.83 0.00 0.00 0.00 176.54 178.81 3gd3 h GLU 557 N 0.40 0.00 -0.31 4.80 3.07 -2.04 -3.30 114.58 117.19 3gd3 h GLU 557 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3gd3 h GLU 557 Cb 1.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 3gd3 h GLU 557 CO 0.16 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.52 3gd3 n ASP 558 N -2.76 1.62 -4.53 1.42 10.43 -1.23 -4.97 116.55 116.53 3gd3 n ASP 558 Ca 0.02 -2.01 -0.38 0.00 2.57 0.00 0.00 54.79 55.00 3gd3 n ASP 558 Cb 0.35 -0.21 0.05 0.00 1.84 0.00 0.00 41.12 43.16 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 0.37 -0.12 0.17 1.24 4.02 -1.25 -4.40 117.16 117.19 3gd3 n TYR 559 Ca 0.10 0.43 0.00 0.00 -0.01 0.00 0.00 57.90 58.42 3gd3 n TYR 559 Cb 0.26 -2.02 0.00 0.00 -0.02 0.00 0.00 39.34 37.56 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 1.57 -1.43 3.34 2.72 0.00 -1.02 -4.74 105.19 105.64 3gd3 n GLY 560 Ca 0.12 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 1.28 0.00 1.61 -2.85 -1.14 -4.62 119.74 112.02 3gd3 s LYS 561 Ca 0.00 -1.30 -0.29 0.00 -1.00 0.00 0.00 55.97 53.38 3gd3 s LYS 561 Cb 0.00 -1.61 0.11 0.00 -2.06 0.00 0.00 37.83 34.27 3gd3 s LYS 561 CO 0.00 0.37 1.26 0.20 0.10 0.00 0.00 175.35 177.28 3gd3 s GLY 562 N -2.14 -0.28 0.02 0.59 0.00 -0.16 -0.76 107.32 104.59 3gd3 s GLY 562 Ca 0.12 0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.27 3gd3 s GLY 562 CO 0.06 2.10 -0.12 0.54 0.00 0.00 0.00 173.10 175.68 3gd3 s VAL 563 N -2.29 0.90 -0.12 1.40 0.11 0.16 -1.63 120.40 118.93 3gd3 s VAL 563 Ca 0.20 -0.78 -0.00 0.00 -2.93 0.00 0.00 61.98 58.47 3gd3 s VAL 563 Cb 0.02 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3gd3 s VAL 563 CO -0.02 0.04 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.07 3gd3 s ILE 564 N -0.67 1.13 -0.20 7.04 1.01 -0.61 -0.53 121.20 128.36 3gd3 s ILE 564 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 3gd3 s ILE 564 Cb -0.06 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 3gd3 s ILE 564 CO 0.01 0.38 0.22 -0.36 0.00 0.00 0.00 174.94 175.19 3gd3 s PHE 565 N 1.59 3.38 -0.28 3.97 0.40 0.57 -1.67 117.98 125.95 3gd3 s PHE 565 Ca 0.03 0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.66 3gd3 s PHE 565 Cb -0.13 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 3gd3 s PHE 565 CO -0.08 0.16 0.16 0.71 0.70 0.00 0.00 175.22 176.87 3gd3 s TYR 566 N 0.76 3.19 0.05 0.36 1.51 0.10 -2.07 117.35 121.25 3gd3 s TYR 566 Ca 0.12 -0.05 0.09 0.00 -1.01 0.00 0.00 57.07 56.22 3gd3 s TYR 566 Cb -0.13 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 3gd3 s TYR 566 CO 0.03 -0.23 -0.26 -0.51 -1.11 0.00 0.00 175.55 173.47 3gd3 s LEU 567 N 1.72 2.17 -0.06 -1.29 1.43 -1.19 -0.17 118.68 121.29 3gd3 s LEU 567 Ca 0.07 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3gd3 s LEU 567 Cb -0.16 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.82 3gd3 s LEU 567 CO 0.09 0.26 0.11 -0.60 0.23 0.00 0.00 176.35 176.44 3gd3 s ARG 568 N -1.25 0.01 -1.31 1.70 3.52 -0.91 -4.33 118.95 116.39 3gd3 s ARG 568 Ca 0.12 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 3gd3 s ARG 568 Cb -0.10 -0.31 0.00 0.00 -1.56 0.00 0.00 34.95 32.98 3gd3 s ARG 568 CO 0.02 -0.27 0.00 -0.25 -0.81 0.00 0.00 175.30 173.99 3gd3 n ASP 569 N 4.95 -4.69 -1.64 -2.12 8.00 -1.26 -1.14 116.55 118.65 3gd3 n ASP 569 Ca -0.12 0.31 -0.15 0.00 0.71 0.00 0.00 54.79 55.54 3gd3 n ASP 569 Cb 0.50 -3.28 -0.02 0.00 -0.02 0.00 0.00 41.12 38.31 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 -2.37 -1.19 -4.16 -1.24 5.02 -1.26 -5.06 118.16 107.91 3gd3 n LYS 570 Ca -0.12 0.79 -0.36 0.00 -2.02 0.00 0.00 58.31 56.60 3gd3 n LYS 570 Cb 0.44 -5.10 -0.08 0.00 -0.02 0.00 0.00 35.03 30.27 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 -2.72 4.78 -0.60 -0.18 1.01 -0.29 -4.33 120.40 118.06 3gd3 s VAL 571 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 3gd3 s VAL 571 Cb 0.00 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.33 3gd3 s VAL 571 CO 0.00 0.59 1.52 -0.69 0.00 0.00 0.00 175.10 176.53 3gd3 s VAL 572 N -0.79 3.65 -0.51 2.92 1.01 -1.23 -2.13 120.40 123.30 3gd3 s VAL 572 Ca 0.13 0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.66 3gd3 s VAL 572 Cb -0.12 -4.37 0.35 0.00 0.00 0.00 0.00 36.38 32.25 3gd3 s VAL 572 CO 0.03 -1.21 0.91 1.33 0.00 0.00 0.00 175.10 176.16 3gd3 n VAL 573 N 6.88 2.21 0.00 2.92 0.24 0.76 -4.56 118.33 126.78 3gd3 n VAL 573 Ca 0.13 -5.24 0.00 0.00 -2.04 0.00 0.00 64.34 57.19 3gd3 n VAL 573 Cb 0.50 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 3gd3 n VAL 573 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gd3 n GLY 574 N -0.14 4.56 2.91 7.63 0.00 -1.16 -2.39 105.19 116.61 3gd3 n GLY 574 Ca 0.30 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 3gd3 n GLY 574 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gd3 s ILE 575 N -0.76 0.10 -0.11 -0.61 1.01 0.99 0.02 121.20 121.85 3gd3 s ILE 575 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.42 3gd3 s ILE 575 Cb 0.00 -0.13 0.01 0.00 0.01 0.00 0.00 42.46 42.35 3gd3 s ILE 575 CO 0.00 -0.09 -0.17 -0.69 0.00 0.00 0.00 174.94 173.98 3gd3 s VAL 576 N -0.36 1.61 -0.39 2.92 1.01 -0.67 -1.69 120.40 122.84 3gd3 s VAL 576 Ca -0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 3gd3 s VAL 576 Cb -0.03 -1.45 0.07 0.00 0.00 0.00 0.00 36.38 34.97 3gd3 s VAL 576 CO -0.00 0.46 0.21 -0.76 0.00 0.00 0.00 175.10 175.01 3gd3 s LEU 577 N 0.81 4.91 -0.41 3.92 1.43 0.26 -1.57 118.68 128.03 3gd3 s LEU 577 Ca -0.10 -1.46 -0.19 0.00 -1.03 0.00 0.00 54.13 51.35 3gd3 s LEU 577 Cb -0.16 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3gd3 s LEU 577 CO 0.01 -0.48 0.55 0.86 0.23 0.00 0.00 176.35 177.53 3gd3 s TRP 578 N 1.39 3.12 -1.54 0.29 -0.00 -0.65 0.01 118.94 121.56 3gd3 s TRP 578 Ca 0.02 -0.10 -0.03 0.00 -0.00 0.00 0.00 56.10 55.99 3gd3 s TRP 578 Cb -0.22 -3.12 0.01 0.00 -0.00 0.00 0.00 33.47 30.14 3gd3 s TRP 578 CO 0.02 -0.75 0.29 0.09 -0.00 0.00 0.00 176.95 176.60 3gd3 n ASN 579 N 5.95 -5.48 -4.11 5.86 3.02 0.23 -0.99 115.26 119.73 3gd3 n ASN 579 Ca -0.04 -0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.07 3gd3 n ASN 579 Cb 0.48 -4.51 -0.17 0.00 -0.61 0.00 0.00 39.78 34.97 3gd3 n ASN 579 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gd3 s VAL 580 N -3.02 1.79 0.12 2.41 1.01 -1.26 -4.56 120.40 116.88 3gd3 s VAL 580 Ca 0.16 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.39 3gd3 s VAL 580 Cb -0.08 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3gd3 s VAL 580 CO 0.20 0.50 -0.16 -0.36 0.00 0.00 0.00 175.10 175.28 3gd3 s PHE 581 N 0.90 1.50 -1.05 5.22 0.40 -1.26 -4.73 117.98 118.96 3gd3 s PHE 581 Ca -0.07 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.76 3gd3 s PHE 581 Cb -0.15 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.58 3gd3 s PHE 581 CO -0.02 0.17 0.00 0.09 0.70 0.00 0.00 175.22 176.16 3gd3 n ASN 582 N 0.72 -5.03 -0.44 1.36 3.02 -1.26 -4.83 115.26 108.79 3gd3 n ASN 582 Ca -0.17 0.25 0.05 0.00 -0.03 0.00 0.00 54.58 54.68 3gd3 n ASN 582 Cb 0.56 -3.40 0.07 0.00 -0.61 0.00 0.00 39.78 36.40 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 -1.60 1.16 -0.31 3.52 5.12 -1.26 -4.63 116.66 118.66 3gd3 n ARG 583 Ca -0.10 -1.37 -0.01 0.00 -1.93 0.00 0.00 57.85 54.45 3gd3 n ARG 583 Cb 0.46 -1.20 0.17 0.00 -1.16 0.00 0.00 32.46 30.74 3gd3 n ARG 583 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 3gd3 h MET 584 N 1.87 1.17 -0.67 5.56 4.05 -1.89 -2.64 114.93 122.38 3gd3 h MET 584 Ca 0.00 -0.07 0.13 0.00 -0.28 0.00 0.00 59.70 59.48 3gd3 h MET 584 Cb 0.50 -0.26 -0.09 0.00 -0.80 0.00 0.00 31.60 30.94 3gd3 h MET 584 CO 0.00 0.78 0.19 -1.35 0.23 0.00 0.00 176.91 176.76 3gd3 h PRO 585 N 1.21 0.31 0.25 0.39 0.11 -1.79 -2.63 132.00 129.86 3gd3 h PRO 585 Ca 0.33 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 3gd3 h PRO 585 Cb -0.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 30.91 3gd3 h PRO 585 CO -0.07 0.21 -0.12 0.82 -0.21 0.00 0.00 178.00 178.62 3gd3 h ILE 586 N 0.32 0.79 -0.99 4.15 2.04 -1.78 -2.18 117.51 119.86 3gd3 h ILE 586 Ca 0.36 -0.21 0.30 0.00 1.00 0.00 0.00 64.86 66.31 3gd3 h ILE 586 Cb 0.55 0.91 -0.14 0.00 -0.74 0.00 0.00 36.82 37.40 3gd3 h ILE 586 CO -0.42 0.05 0.55 0.00 0.00 0.00 0.00 178.15 178.32 3gd3 h ALA 587 N 0.28 1.86 -0.06 1.87 0.00 -1.28 -0.43 119.26 121.51 3gd3 h ALA 587 Ca -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gd3 h ALA 587 Cb 0.34 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gd3 h ALA 587 CO 0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 179.25 178.80 3gd3 h ARG 588 N 0.37 0.11 -0.46 0.00 3.08 -1.40 -2.53 114.38 113.54 3gd3 h ARG 588 Ca 0.70 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.81 3gd3 h ARG 588 Cb 1.53 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.48 3gd3 h ARG 588 CO -0.58 0.42 -0.25 -0.22 -1.07 0.00 0.00 179.97 178.27 3gd3 h LYS 589 N -0.22 -0.14 -0.74 0.04 1.63 -1.02 -0.99 116.57 115.13 3gd3 h LYS 589 Ca 0.02 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.94 3gd3 h LYS 589 Cb 0.38 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.96 3gd3 h LYS 589 CO 0.00 -0.10 0.35 0.82 -3.45 0.00 0.00 179.45 177.08 3gd3 h ILE 590 N -0.15 0.79 -0.11 2.00 2.04 -1.18 0.12 117.51 121.02 3gd3 h ILE 590 Ca 0.21 -0.19 -0.23 0.00 1.00 0.00 0.00 64.86 65.65 3gd3 h ILE 590 Cb 0.49 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3gd3 h ILE 590 CO -0.55 0.10 -0.84 0.40 0.00 0.00 0.00 178.15 177.26 3gd3 h ILE 591 N 0.56 1.29 -0.16 -0.67 2.04 -1.08 -3.12 117.51 116.38 3gd3 h ILE 591 Ca 0.38 -2.07 -0.09 0.00 1.00 0.00 0.00 64.86 64.08 3gd3 h ILE 591 Cb 0.47 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 3gd3 h ILE 591 CO -0.31 0.65 -0.31 0.50 0.00 0.00 0.00 178.15 178.68 3gd3 h LYS 592 N 0.47 0.32 -0.14 2.37 1.63 -0.53 -0.86 116.57 119.83 3gd3 h LYS 592 Ca -0.07 -0.12 0.04 0.00 -0.85 0.00 0.00 60.65 59.65 3gd3 h LYS 592 Cb 1.47 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.07 3gd3 h LYS 592 CO 0.17 0.60 0.10 -0.44 -3.45 0.00 0.00 179.45 176.43 3gd3 h ASP 593 N 0.28 0.00 -3.60 4.20 3.32 -0.79 -3.46 116.42 116.37 3gd3 h ASP 593 Ca 0.04 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.87 3gd3 h ASP 593 Cb 0.68 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3gd3 h ASP 593 CO 0.05 0.00 -0.27 0.61 -1.72 0.00 0.00 179.24 177.91 3gd3 n GLY 594 N -1.54 -0.28 3.96 2.75 0.00 -0.33 -4.93 105.19 104.81 3gd3 n GLY 594 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3gd3 n GLY 594 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gd3 s GLU 595 N -4.73 1.02 -0.05 1.61 2.02 -1.26 -4.86 118.70 112.45 3gd3 s GLU 595 Ca 0.00 -0.72 0.05 0.00 0.02 0.00 0.00 54.97 54.32 3gd3 s GLU 595 Cb 0.00 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.18 3gd3 s GLU 595 CO 0.00 -2.05 -0.23 -0.65 0.02 0.00 0.00 175.26 172.36 3gd3 s GLN 596 N -5.60 2.33 -0.24 1.61 -0.21 -1.26 -3.54 119.66 112.74 3gd3 s GLN 596 Ca 0.71 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 55.30 3gd3 s GLN 596 Cb -0.04 -1.98 0.06 0.00 1.00 0.00 0.00 33.01 32.05 3gd3 s GLN 596 CO 0.50 0.33 -0.10 -1.01 -2.12 0.00 0.00 175.29 172.89 3gd3 s HIS 597 N -0.09 2.98 0.55 0.91 3.76 -1.26 -4.99 115.29 117.15 3gd3 s HIS 597 Ca -0.04 -2.10 0.25 0.00 -0.15 0.00 0.00 55.06 53.02 3gd3 s HIS 597 Cb -0.13 -1.83 1.61 0.00 1.11 0.00 0.00 32.58 33.34 3gd3 s HIS 597 CO 0.03 -0.84 2.21 0.93 -0.85 0.00 0.00 174.74 176.22 3gd3 h GLU 598 N 7.84 0.00 -4.25 1.40 5.08 -2.00 -3.35 114.58 119.30 3gd3 h GLU 598 Ca -0.21 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.54 3gd3 h GLU 598 Cb 1.06 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.92 3gd3 h GLU 598 CO 0.46 0.01 -0.77 0.34 -1.00 0.00 0.00 179.01 178.06 3gd3 s ASP 599 N -6.46 3.96 0.10 1.42 3.68 -1.26 -5.00 116.67 113.11 3gd3 s ASP 599 Ca -0.05 -1.36 0.26 0.00 2.13 0.00 0.00 52.55 53.54 3gd3 s ASP 599 Cb 0.16 -1.17 0.81 0.00 -1.45 0.00 0.00 42.92 41.26 3gd3 s ASP 599 CO 0.59 -0.28 1.69 0.18 0.13 0.00 0.00 175.17 177.47 3gd3 n LEU 600 N 4.66 0.51 -0.00 -1.34 4.77 -1.26 -3.89 117.00 120.44 3gd3 n LEU 600 Ca -0.08 0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 56.17 3gd3 n LEU 600 Cb 0.44 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3gd3 n LEU 600 CO 0.17 -0.06 0.33 0.78 -1.33 0.00 0.00 177.39 177.28 3gd3 h ASN 601 N 0.00 0.77 0.75 -1.43 4.21 -1.95 -2.49 115.58 115.45 3gd3 h ASN 601 Ca 0.00 -0.49 0.00 0.00 1.21 0.00 0.00 56.30 57.02 3gd3 h ASN 601 Cb 0.64 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 3gd3 h ASN 601 CO 0.00 1.26 0.00 -0.33 -1.29 0.00 0.00 177.43 177.07 3gd3 h GLU 602 N 0.46 0.00 0.00 0.81 4.39 -2.00 -2.16 114.58 116.09 3gd3 h GLU 602 Ca -0.03 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.45 3gd3 h GLU 602 Cb 1.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 3gd3 h GLU 602 CO 0.14 0.00 -1.09 0.28 -1.16 0.00 0.00 179.01 177.18 3gd3 h VAL 603 N 0.00 1.57 -0.53 3.13 2.07 -1.65 -3.34 116.25 117.49 3gd3 h VAL 603 Ca 0.00 -3.29 -0.05 0.00 0.82 0.00 0.00 66.70 64.18 3gd3 h VAL 603 Cb 0.38 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 3gd3 h VAL 603 CO 0.00 0.89 0.13 0.00 0.02 0.00 0.00 177.57 178.61 3gd3 h ALA 604 N 1.01 0.70 0.00 1.67 0.00 -0.94 -3.00 119.26 118.71 3gd3 h ALA 604 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gd3 h ALA 604 Cb 1.79 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3gd3 h ALA 604 CO 0.12 0.41 0.35 1.63 0.00 0.00 0.00 179.25 181.76 3gd3 n LYS 605 N -4.42 0.07 0.15 0.00 5.02 -1.19 0.45 118.16 118.25 3gd3 n LYS 605 Ca 0.02 0.53 0.13 0.00 -2.02 0.00 0.00 58.31 56.97 3gd3 n LYS 605 Cb 0.23 -2.08 0.50 0.00 -0.02 0.00 0.00 35.03 33.66 3gd3 n LYS 605 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3gd3 h LEU 606 N 0.00 0.00 -3.29 -0.35 -0.00 -1.74 -2.92 115.31 107.01 3gd3 h LEU 606 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 3gd3 h LEU 606 Cb 0.70 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.36 3gd3 h LEU 606 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 178.44 178.93 3gd3 n PHE 607 N -2.41 1.03 -3.66 1.13 3.72 0.17 -4.95 117.46 112.50 3gd3 n PHE 607 Ca 0.02 -0.89 -0.21 0.00 -0.05 0.00 0.00 57.45 56.32 3gd3 n PHE 607 Cb 0.28 -0.34 0.04 0.00 -0.94 0.00 0.00 39.48 38.52 3gd3 n PHE 607 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3gd3 n ASN 608 N -0.46 -1.50 -4.23 4.37 5.15 -1.10 -4.94 115.26 112.55 3gd3 n ASN 608 Ca 0.22 -0.81 -0.36 0.00 -0.60 0.00 0.00 54.58 53.04 3gd3 n ASN 608 Cb 0.92 -4.16 -0.13 0.00 -0.53 0.00 0.00 39.78 35.88 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 -3.63 3.35 0.00 -1.44 -1.09 -1.25 -5.02 121.20 112.11 3gd3 s ILE 609 Ca 0.03 -1.20 0.00 0.00 -2.23 0.00 0.00 60.65 57.25 3gd3 s ILE 609 Cb -0.01 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 3gd3 s ILE 609 CO 0.80 -0.09 0.00 1.57 -1.23 0.00 0.00 174.94 176.00