#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2k s THR 142 N 0.00 0.07 0.39 -0.99 -1.32 -1.26 -4.79 115.64 107.74 3d2k s THR 142 Ca 0.00 -1.61 0.15 0.00 -1.21 0.00 0.00 61.69 59.03 3d2k s THR 142 Cb 0.00 -1.99 0.37 0.00 -1.51 0.00 0.00 72.50 69.37 3d2k s THR 142 CO 0.00 -0.30 1.82 -0.07 -2.21 0.00 0.00 174.62 173.86 3d2k h LEU 143 N 2.63 0.49 -2.40 9.08 3.38 -1.97 -0.78 115.31 125.75 3d2k h LEU 143 Ca -0.33 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3d2k h LEU 143 Cb 1.22 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3d2k h LEU 143 CO 0.51 0.17 0.20 -0.33 0.09 0.00 0.00 178.44 179.08 3d2k h GLU 144 N 0.48 0.00 -0.00 1.13 3.07 -2.04 -1.80 114.58 115.41 3d2k h GLU 144 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3d2k h GLU 144 Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3d2k h GLU 144 CO -0.24 0.00 -0.10 -0.25 -1.40 0.00 0.00 179.01 177.02 3d2k n ASP 145 N -3.00 0.18 -4.21 1.42 9.92 -0.30 -4.89 116.55 115.67 3d2k n ASP 145 Ca -0.02 0.03 -0.23 0.00 -0.53 0.00 0.00 54.79 54.05 3d2k n ASP 145 Cb 0.26 -0.25 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 3d2k n ASP 145 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3d2k s PHE 146 N -2.81 1.53 -0.18 1.24 0.08 -0.68 0.09 117.98 117.25 3d2k s PHE 146 Ca 0.19 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 56.76 3d2k s PHE 146 Cb 0.19 -0.89 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 3d2k s PHE 146 CO 0.53 0.08 0.18 -0.51 -0.10 0.00 0.00 175.22 175.40 3d2k s ASP 147 N -1.30 6.30 -0.04 1.36 1.01 -0.31 -4.90 116.67 118.79 3d2k s ASP 147 Ca 0.04 0.34 -0.13 0.00 0.71 0.00 0.00 52.55 53.52 3d2k s ASP 147 Cb -0.09 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.68 3d2k s ASP 147 CO 0.02 0.19 0.33 -0.63 0.21 0.00 0.00 175.17 175.28 3d2k s ILE 148 N 0.21 5.18 0.00 0.77 -1.09 -1.26 -1.27 121.20 123.73 3d2k s ILE 148 Ca 0.11 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 3d2k s ILE 148 Cb -0.12 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3d2k s ILE 148 CO 0.00 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 3d2k n GLY 149 N 1.97 3.00 3.78 6.18 0.00 0.21 -4.96 105.19 115.38 3d2k n GLY 149 Ca -0.15 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 3d2k n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3d2k s ARG 150 N 3.29 3.22 0.21 1.61 1.70 -1.26 -4.60 118.95 123.12 3d2k s ARG 150 Ca 0.00 1.41 -0.32 0.00 -0.47 0.00 0.00 55.73 56.35 3d2k s ARG 150 Cb 0.00 -2.00 -0.13 0.00 -0.57 0.00 0.00 34.95 32.24 3d2k s ARG 150 CO 0.00 -0.92 1.56 -2.30 -1.08 0.00 0.00 175.30 172.56 3d2k n PRO 151 N -1.80 2.32 -0.04 3.89 -0.02 -1.26 -1.71 135.00 136.39 3d2k n PRO 151 Ca 0.10 0.83 0.04 0.00 -2.02 0.00 0.00 63.50 62.46 3d2k n PRO 151 Cb 0.52 -2.59 -0.17 0.00 -0.02 0.00 0.00 33.50 31.24 3d2k n PRO 151 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3d2k n LEU 152 N 2.98 0.01 -3.65 2.45 4.77 0.23 -4.87 117.00 118.92 3d2k n LEU 152 Ca 0.14 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.10 3d2k n LEU 152 Cb 0.32 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 3d2k n LEU 152 CO 0.63 0.15 1.16 -0.83 -1.33 0.00 0.00 177.39 177.18 3d2k s GLY 153 N -4.82 0.22 -0.22 -0.72 0.00 -1.20 -4.97 107.32 95.61 3d2k s GLY 153 Ca -0.09 3.18 -0.08 0.00 0.00 0.00 0.00 44.72 47.73 3d2k s GLY 153 CO 0.88 1.52 0.08 0.54 0.00 0.00 0.00 173.10 176.12 3d2k s LYS 154 N -0.51 3.84 0.45 2.90 -0.14 -1.26 -0.77 119.74 124.25 3d2k s LYS 154 Ca 0.08 -0.40 0.06 0.00 -1.36 0.00 0.00 55.97 54.36 3d2k s LYS 154 Cb -0.03 -3.32 -0.03 0.00 -1.68 0.00 0.00 37.83 32.77 3d2k s LYS 154 CO -0.12 0.02 0.23 0.20 -0.76 0.00 0.00 175.35 174.93 3d2k s GLY 155 N 1.08 2.39 0.16 -3.33 0.00 0.00 -5.02 107.32 102.60 3d2k s GLY 155 Ca 0.05 -1.75 0.05 0.00 0.00 0.00 0.00 44.72 43.08 3d2k s GLY 155 CO 0.03 -1.92 1.37 0.50 0.00 0.00 0.00 173.10 173.08 3d2k h LYS 156 N 1.23 0.08 0.00 2.90 1.79 -2.01 -3.27 116.57 117.29 3d2k h LYS 156 Ca -0.41 -0.10 -0.07 0.00 -2.18 0.00 0.00 60.65 57.89 3d2k h LYS 156 Cb 1.27 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 3d2k h LYS 156 CO 0.66 0.92 -1.09 0.74 -1.08 0.00 0.00 179.45 179.60 3d2k h PHE 157 N 0.04 0.00 0.00 -1.35 -1.00 -1.96 -3.50 116.94 109.17 3d2k h PHE 157 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3d2k h PHE 157 Cb 1.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.12 3d2k h PHE 157 CO 0.01 0.24 0.00 0.41 -1.61 0.00 0.00 178.31 177.36 3d2k n GLY 158 N 1.26 -0.63 3.61 -1.45 0.00 -1.23 -3.12 105.19 103.63 3d2k n GLY 158 Ca -0.03 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 3d2k n GLY 158 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d2k s ASN 159 N 0.00 4.61 -0.09 1.61 -0.87 -0.86 -0.82 114.94 118.53 3d2k s ASN 159 Ca 0.00 -0.30 -0.02 0.00 -1.57 0.00 0.00 52.86 50.98 3d2k s ASN 159 Cb 0.00 -0.97 -0.03 0.00 -0.02 0.00 0.00 41.25 40.22 3d2k s ASN 159 CO 0.00 0.19 -0.00 -0.69 -2.57 0.00 0.00 177.10 174.02 3d2k s VAL 160 N -1.22 4.26 0.00 1.60 1.01 0.05 -0.65 120.40 125.46 3d2k s VAL 160 Ca 0.22 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3d2k s VAL 160 Cb -0.11 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 3d2k s VAL 160 CO 0.14 0.60 -0.11 -0.31 0.00 0.00 0.00 175.10 175.42 3d2k s TYR 161 N -0.79 0.98 0.41 5.22 1.51 -0.16 0.74 117.35 125.27 3d2k s TYR 161 Ca 0.12 -0.22 -0.26 0.00 -1.01 0.00 0.00 57.07 55.70 3d2k s TYR 161 Cb -0.11 -0.62 -0.09 0.00 -0.11 0.00 0.00 41.96 41.03 3d2k s TYR 161 CO 0.02 -0.01 1.26 -1.17 -1.11 0.00 0.00 175.55 174.55 3d2k s LEU 162 N -0.44 4.21 0.16 -1.29 2.96 -0.69 -0.76 118.68 122.82 3d2k s LEU 162 Ca 0.03 2.57 -0.13 0.00 -0.22 0.00 0.00 54.13 56.37 3d2k s LEU 162 Cb -0.05 -3.94 0.01 0.00 0.50 0.00 0.00 46.19 42.71 3d2k s LEU 162 CO -0.00 -0.81 0.39 0.00 -1.32 0.00 0.00 176.35 174.61 3d2k s ALA 163 N -1.30 -0.54 -0.05 5.97 0.00 0.56 0.68 121.76 127.08 3d2k s ALA 163 Ca 0.57 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3d2k s ALA 163 Cb -0.36 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.59 3d2k s ALA 163 CO 0.46 -0.70 -0.03 1.03 0.00 0.00 0.00 175.76 176.52 3d2k s ARG 164 N -3.90 0.69 0.22 0.00 0.52 -0.40 -1.08 118.95 115.00 3d2k s ARG 164 Ca 0.11 -0.02 -0.32 0.00 -0.52 0.00 0.00 55.73 54.97 3d2k s ARG 164 Cb 0.01 -0.81 -0.12 0.00 0.52 0.00 0.00 34.95 34.55 3d2k s ARG 164 CO -0.04 -0.14 1.64 -1.91 0.02 0.00 0.00 175.30 174.87 3d2k n GLU 165 N 4.32 2.56 -0.13 3.54 0.00 -0.84 -1.16 120.64 128.94 3d2k n GLU 165 Ca -0.21 0.92 -0.13 0.00 0.00 0.00 0.00 57.16 57.74 3d2k n GLU 165 Cb 0.51 -2.72 -0.02 0.00 0.00 0.00 0.00 31.44 29.20 3d2k n GLU 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3d2k h ARG 166 N 5.98 0.93 -1.09 5.31 3.08 -0.69 -1.75 114.38 126.14 3d2k h ARG 166 Ca -0.44 -0.46 -0.63 0.00 0.07 0.00 0.00 59.98 58.51 3d2k h ARG 166 Cb 1.22 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.92 3d2k h ARG 166 CO 0.89 1.12 0.08 0.94 -1.07 0.00 0.00 179.97 181.94 3d2k n GLN 167 N -4.10 3.13 0.00 0.04 -0.06 -1.26 -4.11 117.38 111.02 3d2k n GLN 167 Ca -0.02 -3.79 0.00 0.00 -2.00 0.00 0.00 57.00 51.19 3d2k n GLN 167 Cb 0.52 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.42 3d2k n GLN 167 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3d2k n SER 168 N -0.74 0.00 0.00 1.69 3.41 -1.25 -5.02 113.62 111.71 3d2k n SER 168 Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 3d2k n SER 168 Cb 0.72 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 3d2k n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d2k n LYS 169 N 0.00 0.00 -1.66 4.33 4.76 -0.66 -4.94 118.16 119.99 3d2k n LYS 169 Ca 0.00 0.00 -0.49 0.00 -2.87 0.00 0.00 58.31 54.95 3d2k n LYS 169 Cb 0.00 -3.32 -0.05 0.00 -1.84 0.00 0.00 35.03 29.82 3d2k n LYS 169 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3d2k n PHE 170 N -1.99 2.10 -2.56 2.13 7.35 -1.26 -4.62 117.46 118.62 3d2k n PHE 170 Ca 0.00 0.31 -0.40 0.00 -0.76 0.00 0.00 57.45 56.60 3d2k n PHE 170 Cb 0.00 -2.52 -0.05 0.00 0.35 0.00 0.00 39.48 37.27 3d2k n PHE 170 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3d2k s ILE 171 N 1.81 3.70 0.33 -2.13 -1.09 -1.26 -1.98 121.20 120.58 3d2k s ILE 171 Ca 0.85 1.68 -0.18 0.00 -2.23 0.00 0.00 60.65 60.77 3d2k s ILE 171 Cb -0.78 -4.07 0.05 0.00 -1.58 0.00 0.00 42.46 36.08 3d2k s ILE 171 CO 0.46 0.39 0.81 -1.48 -1.23 0.00 0.00 174.94 173.89 3d2k s LEU 172 N -1.23 -0.05 0.12 2.97 0.05 -0.24 -4.59 118.68 115.71 3d2k s LEU 172 Ca 0.44 -0.97 0.07 0.00 0.05 0.00 0.00 54.13 53.72 3d2k s LEU 172 Cb -0.30 2.71 -0.04 0.00 -2.05 0.00 0.00 46.19 46.51 3d2k s LEU 172 CO 0.38 -1.52 -0.06 0.00 -0.55 0.00 0.00 176.35 174.60 3d2k s ALA 173 N -2.62 3.07 -0.11 1.48 0.00 0.10 -0.33 121.76 123.36 3d2k s ALA 173 Ca 0.15 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3d2k s ALA 173 Cb -0.05 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.14 3d2k s ALA 173 CO 0.10 0.61 -0.06 -1.17 0.00 0.00 0.00 175.76 175.23 3d2k s LEU 174 N -2.44 1.07 -0.24 0.00 0.20 0.06 -0.58 118.68 116.75 3d2k s LEU 174 Ca 0.24 -0.27 -0.08 0.00 0.69 0.00 0.00 54.13 54.71 3d2k s LEU 174 Cb -0.11 -0.76 -0.03 0.00 -0.43 0.00 0.00 46.19 44.86 3d2k s LEU 174 CO 0.16 -0.14 0.08 -0.75 -0.29 0.00 0.00 176.35 175.41 3d2k s LYS 175 N 1.76 3.72 -0.26 1.98 2.47 -0.70 -0.99 119.74 127.73 3d2k s LYS 175 Ca 0.05 -0.45 -0.14 0.00 -1.56 0.00 0.00 55.97 53.87 3d2k s LYS 175 Cb -0.13 -3.35 -0.04 0.00 -1.46 0.00 0.00 37.83 32.86 3d2k s LYS 175 CO -0.08 -0.14 0.34 0.08 0.16 0.00 0.00 175.35 175.72 3d2k s VAL 176 N 1.49 5.21 -0.13 4.02 1.01 0.18 -1.35 120.40 130.83 3d2k s VAL 176 Ca 0.06 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 3d2k s VAL 176 Cb -0.15 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3d2k s VAL 176 CO 0.04 0.20 -0.09 -0.76 0.00 0.00 0.00 175.10 174.48 3d2k s LEU 177 N 1.85 2.94 -0.20 3.92 2.01 0.17 -2.02 118.68 127.36 3d2k s LEU 177 Ca 0.14 -0.22 -0.16 0.00 0.01 0.00 0.00 54.13 53.91 3d2k s LEU 177 Cb -0.15 -1.67 -0.04 0.00 0.01 0.00 0.00 46.19 44.33 3d2k s LEU 177 CO 0.09 0.20 0.39 -0.36 1.01 0.00 0.00 176.35 177.69 3d2k s PHE 178 N 0.14 3.38 0.25 0.29 0.40 -1.18 0.56 117.98 121.81 3d2k s PHE 178 Ca -0.04 0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 56.86 3d2k s PHE 178 Cb -0.14 -2.51 0.45 0.00 0.51 0.00 0.00 43.02 41.33 3d2k s PHE 178 CO 0.04 0.01 1.75 0.87 0.70 0.00 0.00 175.22 178.58 3d2k h LYS 179 N 7.33 0.50 -0.69 0.44 1.79 -1.87 -1.86 116.57 122.21 3d2k h LYS 179 Ca -0.36 -0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.16 3d2k h LYS 179 Cb 1.16 -0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 31.60 3d2k h LYS 179 CO 0.72 0.33 -0.33 2.41 -1.08 0.00 0.00 179.45 181.50 3d2k n THR 180 N -4.95 -0.41 0.12 -0.16 -1.04 -1.26 -0.27 114.28 106.31 3d2k n THR 180 Ca 0.14 1.63 -0.02 0.00 -2.04 0.00 0.00 64.05 63.77 3d2k n THR 180 Cb 0.39 -2.09 0.12 0.00 -1.82 0.00 0.00 70.33 66.93 3d2k n THR 180 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3d2k h GLN 181 N 0.00 0.00 -0.08 -2.82 1.08 -1.69 -2.55 115.11 109.05 3d2k h GLN 181 Ca 0.18 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.25 3d2k h GLN 181 Cb 0.35 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3d2k h GLN 181 CO -0.66 0.68 -0.46 -0.07 -0.95 0.00 0.00 178.83 177.37 3d2k h LEU 182 N 0.00 0.54 -0.44 1.46 3.38 -0.49 -2.68 115.31 117.09 3d2k h LEU 182 Ca -0.01 -0.66 -0.18 0.00 0.09 0.00 0.00 57.88 57.13 3d2k h LEU 182 Cb 1.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3d2k h LEU 182 CO 0.09 1.11 -0.76 1.05 0.09 0.00 0.00 178.44 180.02 3d2k h GLU 183 N -0.00 0.23 0.00 1.13 -0.00 -0.69 0.12 114.58 115.37 3d2k h GLU 183 Ca -0.04 -0.21 0.00 0.00 -0.00 0.00 0.00 59.36 59.12 3d2k h GLU 183 Cb 1.12 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 3d2k h GLU 183 CO 0.09 0.88 0.00 0.87 -0.00 0.00 0.00 179.01 180.86 3d2k h LYS 184 N 0.15 0.00 -0.01 1.06 1.79 -1.53 -2.71 116.57 115.32 3d2k h LYS 184 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3d2k h LYS 184 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 3d2k h LYS 184 CO 0.12 0.00 -0.10 0.00 -1.08 0.00 0.00 179.45 178.39 3d2k n ALA 185 N -1.90 2.66 -3.66 3.86 0.00 -1.01 -5.02 120.51 115.42 3d2k n ALA 185 Ca 0.02 -0.53 -0.24 0.00 0.00 0.00 0.00 53.44 52.69 3d2k n ALA 185 Cb 0.31 -0.39 0.06 0.00 0.00 0.00 0.00 19.45 19.43 3d2k n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d2k n GLY 186 N 0.78 -0.48 0.43 0.00 0.00 0.30 -4.91 105.19 101.31 3d2k n GLY 186 Ca 0.06 0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.32 3d2k n GLY 186 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3d2k n VAL 187 N -4.71 0.88 -0.18 1.61 0.24 -0.48 -4.76 118.33 110.93 3d2k n VAL 187 Ca -0.06 -0.94 -0.03 0.00 -2.04 0.00 0.00 64.34 61.27 3d2k n VAL 187 Cb 0.58 0.58 0.04 0.00 -1.47 0.00 0.00 33.84 33.57 3d2k n VAL 187 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3d2k h GLU 188 N 1.42 -0.04 -0.42 7.34 4.39 -1.92 -1.27 114.58 124.08 3d2k h GLU 188 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3d2k h GLU 188 Cb 0.62 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3d2k h GLU 188 CO 0.00 -0.03 0.13 1.12 -1.16 0.00 0.00 179.01 179.07 3d2k h HIS 189 N -0.05 0.61 -0.88 4.33 2.07 -1.95 -2.73 115.15 116.55 3d2k h HIS 189 Ca 0.26 -0.03 0.03 0.00 -2.85 0.00 0.00 60.37 57.78 3d2k h HIS 189 Cb 0.44 -0.19 -0.05 0.00 2.57 0.00 0.00 27.41 30.18 3d2k h HIS 189 CO -0.49 0.50 0.57 1.96 -3.07 0.00 0.00 177.93 177.41 3d2k h GLN 190 N 0.60 1.09 -0.84 5.12 4.20 -1.57 -1.14 115.11 122.56 3d2k h GLN 190 Ca 0.14 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3d2k h GLN 190 Cb 0.18 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3d2k h GLN 190 CO -0.01 0.72 0.42 1.25 -0.67 0.00 0.00 178.83 180.54 3d2k h LEU 191 N 1.12 1.08 -1.09 1.46 5.85 -1.24 0.94 115.31 123.43 3d2k h LEU 191 Ca 0.35 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 3d2k h LEU 191 Cb -0.01 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3d2k h LEU 191 CO -0.11 0.90 -0.08 0.03 -0.34 0.00 0.00 178.44 178.84 3d2k h ARG 192 N 1.18 0.55 -0.37 1.25 -0.00 -1.36 -1.52 114.38 114.11 3d2k h ARG 192 Ca 0.29 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.98 59.57 3d2k h ARG 192 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 29.99 3d2k h ARG 192 CO -0.04 0.63 0.03 0.07 0.00 0.00 0.00 179.97 180.67 3d2k h ARG 193 N 0.51 0.64 -0.65 0.04 -0.00 -0.23 -2.52 114.38 112.16 3d2k h ARG 193 Ca 0.10 -0.19 0.01 0.00 -0.00 0.00 0.00 59.98 59.90 3d2k h ARG 193 Cb 0.46 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.97 30.33 3d2k h ARG 193 CO 0.02 0.72 0.42 1.49 -0.00 0.00 0.00 179.97 182.63 3d2k h GLU 194 N 0.47 0.83 -0.28 0.08 4.81 -0.57 -1.34 114.58 118.58 3d2k h GLU 194 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3d2k h GLU 194 Cb 0.41 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3d2k h GLU 194 CO 0.01 0.55 0.18 0.28 -0.73 0.00 0.00 179.01 179.30 3d2k h VAL 195 N 0.85 1.09 -0.59 0.32 2.07 -1.24 -0.02 116.25 118.72 3d2k h VAL 195 Ca 0.24 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.48 3d2k h VAL 195 Cb -0.07 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3d2k h VAL 195 CO -0.06 0.08 -0.03 -0.08 0.02 0.00 0.00 177.57 177.50 3d2k h GLU 196 N 0.37 1.06 0.00 1.57 4.81 -1.25 -2.74 114.58 118.41 3d2k h GLU 196 Ca 0.10 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3d2k h GLU 196 Cb -0.02 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3d2k h GLU 196 CO -0.02 1.05 -0.00 0.82 -0.73 0.00 0.00 179.01 180.13 3d2k h ILE 197 N 0.96 1.04 0.00 2.32 2.04 -0.98 -2.49 117.51 120.40 3d2k h ILE 197 Ca 0.16 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3d2k h ILE 197 Cb 0.59 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3d2k h ILE 197 CO 0.04 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.22 3d2k n GLN 198 N -5.06 0.43 0.04 2.37 1.13 -0.05 -1.14 117.38 115.10 3d2k n GLN 198 Ca -0.07 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.11 3d2k n GLN 198 Cb 0.06 -1.42 0.19 0.00 0.11 0.00 0.00 30.24 29.18 3d2k n GLN 198 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3d2k n SER 199 N -0.92 0.61 -0.00 1.08 7.64 -0.94 -4.29 113.62 116.80 3d2k n SER 199 Ca 0.09 -0.02 0.04 0.00 1.01 0.00 0.00 58.87 59.98 3d2k n SER 199 Cb 0.04 0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.43 3d2k n SER 199 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3d2k n HIS 200 N -1.89 0.00 -3.36 1.43 8.25 -0.29 -5.00 115.22 114.37 3d2k n HIS 200 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 3d2k n HIS 200 Cb 0.40 -0.09 -0.09 0.00 1.12 0.00 0.00 29.99 31.34 3d2k n HIS 200 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3d2k s LEU 201 N -2.96 4.23 -0.25 2.41 1.43 -1.14 -5.03 118.68 117.38 3d2k s LEU 201 Ca -0.00 0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3d2k s LEU 201 Cb 0.05 -2.44 0.07 0.00 0.03 0.00 0.00 46.19 43.90 3d2k s LEU 201 CO 0.32 -0.30 0.01 -0.13 0.23 0.00 0.00 176.35 176.47 3d2k s ARG 202 N 2.13 1.20 -0.22 1.70 1.81 -1.26 -4.94 118.95 119.37 3d2k s ARG 202 Ca 0.15 -0.95 -0.18 0.00 -1.72 0.00 0.00 55.73 53.03 3d2k s ARG 202 Cb -0.16 -2.41 0.06 0.00 -0.45 0.00 0.00 34.95 31.99 3d2k s ARG 202 CO 0.11 -0.72 0.57 -1.58 -0.68 0.00 0.00 175.30 173.00 3d2k s HIS 203 N 1.51 -0.69 -0.62 -0.53 2.46 -1.26 -5.04 115.29 111.12 3d2k s HIS 203 Ca -0.00 1.58 0.13 0.00 0.47 0.00 0.00 55.06 57.24 3d2k s HIS 203 Cb -0.18 0.28 0.66 0.00 -0.13 0.00 0.00 32.58 33.21 3d2k s HIS 203 CO -0.11 -0.34 1.40 -0.35 -2.47 0.00 0.00 174.74 172.88 3d2k n PRO 204 N 3.20 0.08 -0.53 2.88 -0.04 -1.26 -1.37 135.00 137.96 3d2k n PRO 204 Ca -0.16 0.52 0.07 0.00 -0.04 0.00 0.00 63.50 63.88 3d2k n PRO 204 Cb 0.56 -1.73 0.26 0.00 -0.04 0.00 0.00 33.50 32.56 3d2k n PRO 204 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3d2k n ASN 205 N -1.89 3.91 -4.00 3.54 4.13 -1.26 -4.85 115.26 114.84 3d2k n ASN 205 Ca 0.00 -3.10 -0.25 0.00 1.68 0.00 0.00 54.58 52.91 3d2k n ASN 205 Cb 0.06 -0.57 -0.17 0.00 -1.54 0.00 0.00 39.78 37.56 3d2k n ASN 205 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3d2k s ILE 206 N -2.88 1.14 0.12 2.41 1.01 -0.47 -1.46 121.20 121.07 3d2k s ILE 206 Ca 0.44 -0.45 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 3d2k s ILE 206 Cb 0.36 -1.07 -0.10 0.00 0.01 0.00 0.00 42.46 41.66 3d2k s ILE 206 CO 0.09 0.37 1.73 -0.22 0.00 0.00 0.00 174.94 176.90 3d2k s LEU 207 N 0.95 4.38 0.27 2.97 2.96 -0.47 -4.66 118.68 125.08 3d2k s LEU 207 Ca -0.09 2.67 -0.29 0.00 -0.22 0.00 0.00 54.13 56.20 3d2k s LEU 207 Cb -0.15 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 3d2k s LEU 207 CO 0.00 -0.94 1.00 -0.13 -1.32 0.00 0.00 176.35 174.97 3d2k s ARG 208 N 2.28 4.73 -0.36 1.98 0.52 -1.26 -4.91 118.95 121.93 3d2k s ARG 208 Ca 0.76 1.60 -0.10 0.00 -0.52 0.00 0.00 55.73 57.47 3d2k s ARG 208 Cb -0.44 -3.18 0.02 0.00 0.52 0.00 0.00 34.95 31.86 3d2k s ARG 208 CO 0.34 0.36 0.19 -1.17 0.02 0.00 0.00 175.30 175.04 3d2k s LEU 209 N -1.40 4.58 0.42 2.53 2.96 -1.26 -1.29 118.68 125.21 3d2k s LEU 209 Ca 0.44 -0.93 0.23 0.00 -0.22 0.00 0.00 54.13 53.64 3d2k s LEU 209 Cb -0.28 -2.00 0.49 0.00 0.50 0.00 0.00 46.19 44.90 3d2k s LEU 209 CO 0.35 -0.35 1.65 1.88 -1.32 0.00 0.00 176.35 178.56 3d2k h TYR 210 N 8.40 0.00 0.00 5.38 -1.99 -1.18 -3.46 116.97 124.12 3d2k h TYR 210 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 3d2k h TYR 210 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.84 3d2k h TYR 210 CO 0.58 0.15 0.00 0.41 -0.00 0.00 0.00 178.16 179.31 3d2k n GLY 211 N 0.86 -2.02 3.52 3.88 0.00 -1.20 -5.02 105.19 105.21 3d2k n GLY 211 Ca 0.03 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 3d2k n GLY 211 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d2k s TYR 212 N -2.19 -0.06 0.16 1.61 -0.85 -1.26 -0.65 117.35 114.10 3d2k s TYR 212 Ca 0.00 -0.29 -0.24 0.00 -0.52 0.00 0.00 57.07 56.02 3d2k s TYR 212 Cb 0.00 0.36 0.07 0.00 0.38 0.00 0.00 41.96 42.77 3d2k s TYR 212 CO 0.00 -0.91 1.01 -0.59 -1.52 0.00 0.00 175.55 173.53 3d2k s PHE 213 N -3.89 -0.05 0.04 -3.49 -0.12 -0.88 -4.88 117.98 104.71 3d2k s PHE 213 Ca 0.10 -0.28 0.02 0.00 -0.05 0.00 0.00 56.93 56.72 3d2k s PHE 213 Cb -0.01 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 43.01 3d2k s PHE 213 CO -0.02 -0.83 -0.07 -3.38 -0.05 0.00 0.00 175.22 170.87 3d2k s HIS 214 N -2.84 0.61 0.00 3.49 -3.43 -1.26 -0.27 115.29 111.58 3d2k s HIS 214 Ca 0.16 -0.54 0.00 0.00 -0.80 0.00 0.00 55.06 53.87 3d2k s HIS 214 Cb -0.01 -0.37 0.00 0.00 -1.43 0.00 0.00 32.58 30.76 3d2k s HIS 214 CO 0.03 -0.11 0.00 -0.25 -2.00 0.00 0.00 174.74 172.41 3d2k n ASP 215 N 1.36 0.00 -0.00 7.38 10.43 0.28 -5.00 116.55 130.99 3d2k n ASP 215 Ca -0.22 0.00 -0.00 0.00 2.57 0.00 0.00 54.79 57.14 3d2k n ASP 215 Cb 0.55 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.51 3d2k n ASP 215 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3d2k n ALA 216 N -3.00 1.99 -1.98 2.24 0.00 -1.26 -4.79 120.51 113.71 3d2k n ALA 216 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3d2k n ALA 216 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3d2k n ALA 216 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3d2k n THR 217 N -1.97 0.00 -4.12 0.00 5.66 -1.26 -5.06 114.28 107.53 3d2k n THR 217 Ca -0.01 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.83 3d2k n THR 217 Cb 0.47 0.48 -0.15 0.00 -1.55 0.00 0.00 70.33 69.58 3d2k n THR 217 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3d2k s ARG 218 N 0.00 0.39 -0.07 1.09 0.52 -1.26 -2.62 118.95 117.00 3d2k s ARG 218 Ca 0.00 -0.15 -0.00 0.00 -0.52 0.00 0.00 55.73 55.06 3d2k s ARG 218 Cb 0.00 -0.39 -0.03 0.00 0.52 0.00 0.00 34.95 35.05 3d2k s ARG 218 CO 0.00 0.08 -0.03 0.08 0.02 0.00 0.00 175.30 175.45 3d2k s VAL 219 N -0.00 4.01 -0.07 3.52 1.01 0.19 -0.56 120.40 128.50 3d2k s VAL 219 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3d2k s VAL 219 Cb -0.03 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 3d2k s VAL 219 CO -0.00 0.60 -0.22 -0.31 0.00 0.00 0.00 175.10 175.16 3d2k s TYR 220 N -0.85 2.53 -0.12 5.22 2.02 0.62 0.46 117.35 127.23 3d2k s TYR 220 Ca 0.13 -0.70 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3d2k s TYR 220 Cb -0.11 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 3d2k s TYR 220 CO 0.02 -0.20 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.25 3d2k s LEU 221 N -0.09 3.25 -0.43 -1.29 1.43 -0.46 -2.08 118.68 119.02 3d2k s LEU 221 Ca -0.05 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 3d2k s LEU 221 Cb -0.14 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.36 3d2k s LEU 221 CO 0.04 0.24 0.32 -0.63 0.23 0.00 0.00 176.35 176.56 3d2k s ILE 222 N -0.09 5.08 0.15 -0.59 1.01 0.18 -1.71 121.20 125.23 3d2k s ILE 222 Ca 0.02 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 59.87 3d2k s ILE 222 Cb -0.13 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3d2k s ILE 222 CO 0.03 -0.41 -0.16 -0.76 0.00 0.00 0.00 174.94 173.63 3d2k s LEU 223 N 1.63 2.75 0.21 2.97 1.43 0.26 -0.56 118.68 127.36 3d2k s LEU 223 Ca 0.04 -0.62 -0.32 0.00 -1.03 0.00 0.00 54.13 52.20 3d2k s LEU 223 Cb -0.21 -1.52 -0.13 0.00 0.03 0.00 0.00 46.19 44.36 3d2k s LEU 223 CO 0.08 0.14 1.57 1.21 0.23 0.00 0.00 176.35 179.58 3d2k n GLU 224 N 0.44 2.35 -2.95 1.70 2.13 -0.41 -0.72 120.64 123.18 3d2k n GLU 224 Ca -0.13 0.84 -0.40 0.00 0.66 0.00 0.00 57.16 58.13 3d2k n GLU 224 Cb 0.54 -2.61 -0.05 0.00 0.27 0.00 0.00 31.44 29.59 3d2k n GLU 224 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3d2k s TYR 225 N 0.59 3.77 -0.48 4.31 6.14 -1.26 -4.50 117.35 125.92 3d2k s TYR 225 Ca 0.73 1.54 -0.10 0.00 0.64 0.00 0.00 57.07 59.88 3d2k s TYR 225 Cb -0.60 -2.85 0.12 0.00 0.42 0.00 0.00 41.96 39.05 3d2k s TYR 225 CO 0.41 0.29 0.36 0.00 0.64 0.00 0.00 175.55 177.26 3d2k s ALA 226 N -0.17 3.43 0.56 3.97 0.00 -1.26 -4.92 121.76 123.36 3d2k s ALA 226 Ca 0.39 -2.51 0.25 0.00 0.00 0.00 0.00 51.96 50.09 3d2k s ALA 226 Cb -0.21 -2.88 1.55 0.00 0.00 0.00 0.00 23.12 21.58 3d2k s ALA 226 CO 0.24 -1.91 2.15 -1.35 0.00 0.00 0.00 175.76 174.90 3d2k h PRO 227 N 8.51 0.00 -0.55 0.00 0.11 -1.83 -2.76 132.00 135.49 3d2k h PRO 227 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3d2k h PRO 227 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3d2k h PRO 227 CO 0.88 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.95 3d2k n LEU 228 N -4.12 3.56 0.00 2.35 4.32 -0.75 -5.04 117.00 117.32 3d2k n LEU 228 Ca -0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 56.01 54.15 3d2k n LEU 228 Cb 0.21 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 3d2k n LEU 228 CO 0.31 0.86 0.00 0.61 -1.22 0.00 0.00 177.39 177.94 3d2k n GLY 229 N 1.35 -1.89 3.85 -0.72 0.00 -1.04 -4.70 105.19 102.03 3d2k n GLY 229 Ca 0.20 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 3d2k n GLY 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d2k s THR 230 N 0.00 4.62 0.39 2.61 -4.23 -1.26 -0.41 115.64 117.36 3d2k s THR 230 Ca 0.00 1.03 0.07 0.00 -1.18 0.00 0.00 61.69 61.62 3d2k s THR 230 Cb 0.00 -3.64 0.21 0.00 1.34 0.00 0.00 72.50 70.41 3d2k s THR 230 CO 0.00 -0.34 1.98 0.58 -0.54 0.00 0.00 174.62 176.30 3d2k h VAL 231 N 1.67 1.14 -0.58 2.29 2.07 -0.82 -2.68 116.25 119.35 3d2k h VAL 231 Ca -0.48 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3d2k h VAL 231 Cb 1.18 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3d2k h VAL 231 CO 0.64 0.18 0.36 0.22 0.02 0.00 0.00 177.57 178.99 3d2k h TYR 232 N 0.43 0.75 -0.71 1.57 3.20 -1.76 0.14 116.97 120.58 3d2k h TYR 232 Ca 0.10 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3d2k h TYR 232 Cb 0.16 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3d2k h TYR 232 CO 0.00 0.49 0.21 -0.09 -1.64 0.00 0.00 178.16 177.14 3d2k h ARG 233 N 0.78 1.10 -0.61 1.82 9.65 -1.83 -1.99 114.38 123.29 3d2k h ARG 233 Ca 0.21 -0.24 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 3d2k h ARG 233 Cb -0.05 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 3d2k h ARG 233 CO -0.04 0.95 0.01 1.49 2.80 0.00 0.00 179.97 185.18 3d2k h GLU 234 N 1.04 1.07 -0.44 0.20 4.81 -1.10 -0.66 114.58 119.50 3d2k h GLU 234 Ca 0.23 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 3d2k h GLU 234 Cb 0.31 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3d2k h GLU 234 CO -0.01 1.04 0.06 1.25 -0.73 0.00 0.00 179.01 180.62 3d2k h LEU 235 N 0.98 0.64 -0.47 1.64 5.85 -0.82 0.18 115.31 123.31 3d2k h LEU 235 Ca 0.18 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3d2k h LEU 235 Cb 0.55 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3d2k h LEU 235 CO 0.03 0.67 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.16 3d2k h GLN 236 N 0.66 0.85 -0.10 1.25 4.15 -0.87 0.37 115.11 121.41 3d2k h GLN 236 Ca 0.14 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 3d2k h GLN 236 Cb 0.32 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 3d2k h GLN 236 CO 0.01 0.91 0.02 -0.22 -1.93 0.00 0.00 178.83 177.62 3d2k h LYS 237 N 0.70 0.16 0.00 1.69 3.64 -0.52 -3.20 116.57 119.05 3d2k h LYS 237 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3d2k h LYS 237 Cb 0.55 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3d2k h LYS 237 CO 0.03 0.34 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.17 3d2k h LEU 238 N -0.04 0.00 0.00 5.20 3.38 -0.64 -3.48 115.31 119.73 3d2k h LEU 238 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3d2k h LEU 238 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3d2k h LEU 238 CO 0.00 0.04 0.00 -0.24 0.09 0.00 0.00 178.44 178.33 3d2k n SER 239 N -2.37 0.00 -3.94 -0.43 2.88 0.13 -4.81 113.62 105.08 3d2k n SER 239 Ca 0.04 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.49 3d2k n SER 239 Cb 0.46 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 3d2k n SER 239 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d2k s ARG 240 N 0.00 1.11 0.00 -1.46 1.70 -1.26 -4.22 118.95 114.82 3d2k s ARG 240 Ca 0.00 -1.13 -0.01 0.00 -0.47 0.00 0.00 55.73 54.12 3d2k s ARG 240 Cb 0.00 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 3d2k s ARG 240 CO 0.00 -0.40 0.10 -0.06 -1.08 0.00 0.00 175.30 173.86 3d2k s PHE 241 N -3.95 3.32 1.14 5.89 0.08 0.58 -5.02 117.98 120.02 3d2k s PHE 241 Ca 0.15 0.22 -0.17 0.00 0.12 0.00 0.00 56.93 57.25 3d2k s PHE 241 Cb 0.04 -1.74 0.26 0.00 -0.57 0.00 0.00 43.02 41.00 3d2k s PHE 241 CO -0.02 0.56 1.11 0.16 -0.10 0.00 0.00 175.22 176.94 3d2k s ASP 242 N -1.81 1.45 0.25 1.36 1.47 -1.26 -4.41 116.67 113.72 3d2k s ASP 242 Ca 0.24 0.75 -0.02 0.00 1.18 0.00 0.00 52.55 54.70 3d2k s ASP 242 Cb -0.12 -1.10 0.31 0.00 -0.34 0.00 0.00 42.92 41.67 3d2k s ASP 242 CO 0.15 -3.81 1.73 -0.33 0.68 0.00 0.00 175.17 173.59 3d2k h GLU 243 N -2.37 0.77 -0.32 2.11 5.08 -1.98 -1.99 114.58 115.89 3d2k h GLU 243 Ca -0.47 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 57.53 3d2k h GLU 243 Cb 1.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3d2k h GLU 243 CO 0.41 0.82 -0.27 1.96 -1.00 0.00 0.00 179.01 180.92 3d2k h GLN 244 N 0.71 0.75 -0.16 2.33 1.08 -1.93 0.62 115.11 118.51 3d2k h GLN 244 Ca 0.13 -0.38 -0.21 0.00 -1.45 0.00 0.00 58.65 56.74 3d2k h GLN 244 Cb 0.52 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3d2k h GLN 244 CO 0.03 1.00 -0.72 -0.09 -0.95 0.00 0.00 178.83 178.10 3d2k h ARG 245 N 0.52 0.73 -0.18 1.46 2.43 -1.83 -2.42 114.38 115.09 3d2k h ARG 245 Ca 0.06 -0.56 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3d2k h ARG 245 Cb 0.84 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3d2k h ARG 245 CO 0.07 1.18 0.09 1.15 -1.51 0.00 0.00 179.97 180.95 3d2k h THR 246 N 0.51 1.12 -0.27 0.20 2.02 -1.19 -1.73 112.91 113.58 3d2k h THR 246 Ca -0.04 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 3d2k h THR 246 Cb 1.34 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3d2k h THR 246 CO 0.15 0.11 -0.23 0.00 0.37 0.00 0.00 175.52 175.92 3d2k h ALA 247 N 0.96 1.10 -0.24 6.16 0.00 -0.88 -0.94 119.26 125.42 3d2k h ALA 247 Ca 0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3d2k h ALA 247 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3d2k h ALA 247 CO -0.01 0.56 -0.04 1.15 0.00 0.00 0.00 179.25 180.91 3d2k h THR 248 N 0.45 1.28 -0.64 0.00 2.02 -1.31 -0.44 112.91 114.27 3d2k h THR 248 Ca 0.07 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 66.15 3d2k h THR 248 Cb 0.65 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 3d2k h THR 248 CO 0.05 0.32 0.10 1.88 0.37 0.00 0.00 175.52 178.23 3d2k h TYR 249 N 0.20 1.12 -0.46 3.16 0.05 -1.15 -1.70 116.97 118.19 3d2k h TYR 249 Ca 0.06 -0.15 -0.11 0.00 0.05 0.00 0.00 58.73 58.58 3d2k h TYR 249 Cb 0.50 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 3d2k h TYR 249 CO 0.05 0.94 -0.16 0.82 -1.05 0.00 0.00 178.16 178.76 3d2k h ILE 250 N 0.99 1.27 -0.59 -2.88 1.08 -1.05 -0.48 117.51 115.84 3d2k h ILE 250 Ca 0.20 -1.28 -0.02 0.00 -0.39 0.00 0.00 64.86 63.37 3d2k h ILE 250 Cb 0.43 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 3d2k h ILE 250 CO 0.01 0.44 0.31 0.74 -0.69 0.00 0.00 178.15 178.96 3d2k h THR 251 N 0.78 1.20 -0.36 -0.27 2.02 -0.83 -1.12 112.91 114.33 3d2k h THR 251 Ca 0.12 -0.53 -0.15 0.00 0.77 0.00 0.00 66.41 66.63 3d2k h THR 251 Cb 0.69 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3d2k h THR 251 CO 0.05 0.22 -0.36 -0.33 0.37 0.00 0.00 175.52 175.47 3d2k h GLU 252 N 0.80 0.83 -0.21 6.66 5.08 -0.99 -0.93 114.58 125.82 3d2k h GLU 252 Ca 0.21 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3d2k h GLU 252 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3d2k h GLU 252 CO -0.03 1.06 0.13 -0.07 -1.00 0.00 0.00 179.01 179.10 3d2k h LEU 253 N 0.69 0.24 -0.90 1.33 3.38 -1.01 -2.45 115.31 116.59 3d2k h LEU 253 Ca 0.06 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3d2k h LEU 253 Cb 0.93 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3d2k h LEU 253 CO 0.09 0.18 -0.07 0.00 0.09 0.00 0.00 178.44 178.72 3d2k h ALA 254 N 1.07 1.08 -0.64 1.53 0.00 -0.85 0.48 119.26 121.92 3d2k h ALA 254 Ca 0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3d2k h ALA 254 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3d2k h ALA 254 CO -0.02 0.57 0.22 -0.91 0.00 0.00 0.00 179.25 179.12 3d2k h ASN 255 N 0.67 0.92 -0.06 0.00 2.35 -1.17 -0.55 115.58 117.74 3d2k h ASN 255 Ca 0.12 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3d2k h ASN 255 Cb 0.52 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3d2k h ASN 255 CO 0.03 0.87 -0.01 0.00 -1.65 0.00 0.00 177.43 176.67 3d2k h ALA 256 N 1.09 0.09 -0.15 -0.83 0.00 -0.80 -1.93 119.26 116.73 3d2k h ALA 256 Ca 0.21 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3d2k h ALA 256 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3d2k h ALA 256 CO -0.01 -0.22 -0.33 -0.07 0.00 0.00 0.00 179.25 178.62 3d2k h LEU 257 N -0.19 0.30 -0.69 0.00 3.38 -0.07 -1.66 115.31 116.37 3d2k h LEU 257 Ca 0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3d2k h LEU 257 Cb 0.37 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3d2k h LEU 257 CO 0.00 0.62 0.33 -1.28 0.09 0.00 0.00 178.44 178.20 3d2k h SER 258 N 0.26 0.91 -0.51 -0.43 0.87 -1.03 -0.84 113.55 112.79 3d2k h SER 258 Ca 0.03 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 3d2k h SER 258 Cb 0.71 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 3d2k h SER 258 CO 0.05 0.79 0.17 0.22 -0.53 0.00 0.00 176.83 177.53 3d2k h TYR 259 N 0.96 0.81 0.46 2.24 3.20 -1.13 -2.56 116.97 120.95 3d2k h TYR 259 Ca 0.24 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3d2k h TYR 259 Cb 0.13 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 3d2k h TYR 259 CO 0.01 0.69 -0.25 0.00 -1.64 0.00 0.00 178.16 176.97 3d2k h HIS 261 N -0.66 0.60 0.00 0.00 3.86 -0.84 0.99 115.15 119.10 3d2k h HIS 261 Ca -0.06 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3d2k h HIS 261 Cb 0.52 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.80 3d2k h HIS 261 CO -0.07 0.30 0.00 0.66 0.86 0.00 0.00 177.93 179.68 3d2k h SER 262 N 0.58 0.00 -0.55 2.45 4.64 -1.30 -1.11 113.55 118.26 3d2k h SER 262 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3d2k h SER 262 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3d2k h SER 262 CO -0.10 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.15 3d2k n LYS 263 N -2.89 3.19 -2.30 4.77 4.76 0.16 -4.96 118.16 120.90 3d2k n LYS 263 Ca 0.01 -2.61 -0.15 0.00 -2.87 0.00 0.00 58.31 52.69 3d2k n LYS 263 Cb 0.27 -1.65 -0.01 0.00 -1.84 0.00 0.00 35.03 31.81 3d2k n LYS 263 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3d2k n ARG 264 N 0.91 -1.25 -4.41 1.97 1.74 -0.42 -5.01 116.66 110.19 3d2k n ARG 264 Ca 0.21 0.71 -0.34 0.00 -0.77 0.00 0.00 57.85 57.67 3d2k n ARG 264 Cb 0.71 -5.03 -0.13 0.00 -1.02 0.00 0.00 32.46 26.99 3d2k n ARG 264 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d2k s VAL 265 N -2.74 3.70 -0.18 1.55 1.01 -0.17 -4.33 120.40 119.24 3d2k s VAL 265 Ca 0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 3d2k s VAL 265 Cb -0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3d2k s VAL 265 CO 0.01 0.49 -0.05 -0.63 0.00 0.00 0.00 175.10 174.92 3d2k s ILE 266 N 0.49 3.64 0.04 2.22 1.01 -1.20 -2.48 121.20 124.92 3d2k s ILE 266 Ca -0.04 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 3d2k s ILE 266 Cb -0.15 -2.61 -0.16 0.00 0.01 0.00 0.00 42.46 39.56 3d2k s ILE 266 CO 0.03 0.47 1.28 -0.74 0.00 0.00 0.00 174.94 175.98 3d2k h HIS 267 N 7.20 0.54 0.00 3.97 -0.00 -1.91 -2.68 115.15 122.27 3d2k h HIS 267 Ca -0.33 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 59.84 3d2k h HIS 267 Cb 1.19 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 3d2k h HIS 267 CO 0.55 0.91 0.00 2.89 -0.00 0.00 0.00 177.93 182.28 3d2k n ARG 268 N -4.42 0.00 -1.78 5.26 0.00 -1.26 -3.58 116.66 110.88 3d2k n ARG 268 Ca -0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.70 3d2k n ARG 268 Cb 0.47 -3.21 0.07 0.00 -0.00 0.00 0.00 32.46 29.79 3d2k n ARG 268 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3d2k n ASP 269 N 0.00 2.91 -4.66 2.89 2.03 -1.26 -5.02 116.55 113.44 3d2k n ASP 269 Ca 0.00 -3.20 -0.42 0.00 0.52 0.00 0.00 54.79 51.69 3d2k n ASP 269 Cb 0.00 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 39.96 3d2k n ASP 269 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3d2k s ILE 270 N -3.51 3.67 -0.10 5.18 -1.09 -1.26 -4.86 121.20 119.24 3d2k s ILE 270 Ca 0.40 0.82 -0.31 0.00 -2.23 0.00 0.00 60.65 59.34 3d2k s ILE 270 Cb 0.38 -3.53 0.12 0.00 -1.58 0.00 0.00 42.46 37.85 3d2k s ILE 270 CO -0.03 -0.07 1.01 -1.59 -1.23 0.00 0.00 174.94 173.03 3d2k s LYS 271 N 3.93 0.61 0.25 2.79 -2.85 -1.26 -4.94 119.74 118.27 3d2k s LYS 271 Ca 0.71 -0.12 -0.03 0.00 -1.00 0.00 0.00 55.97 55.53 3d2k s LYS 271 Cb -0.32 0.28 0.40 0.00 -2.06 0.00 0.00 37.83 36.14 3d2k s LYS 271 CO 0.27 -0.24 1.84 -1.35 0.10 0.00 0.00 175.35 175.97 3d2k h PRO 272 N 2.16 0.91 0.00 1.78 0.11 -1.94 -0.28 132.00 134.75 3d2k h PRO 272 Ca -0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3d2k h PRO 272 Cb 1.20 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3d2k h PRO 272 CO 0.29 0.60 0.00 -0.85 -0.21 0.00 0.00 178.00 177.83 3d2k n GLU 273 N -4.65 0.09 -0.46 1.05 0.00 -1.26 -1.39 120.64 114.02 3d2k n GLU 273 Ca 0.14 0.23 0.08 0.00 0.00 0.00 0.00 57.16 57.61 3d2k n GLU 273 Cb 0.24 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.44 3d2k n GLU 273 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3d2k n ASN 274 N -1.40 3.77 -4.33 -1.84 5.03 -0.12 -4.94 115.26 111.43 3d2k n ASN 274 Ca 0.04 -3.07 -0.32 0.00 0.87 0.00 0.00 54.58 52.10 3d2k n ASN 274 Cb 0.13 -0.55 -0.15 0.00 -1.02 0.00 0.00 39.78 38.18 3d2k n ASN 274 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3d2k s LEU 275 N -2.86 2.41 0.24 3.41 1.43 -0.49 -1.57 118.68 121.24 3d2k s LEU 275 Ca 0.42 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 3d2k s LEU 275 Cb 0.34 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 3d2k s LEU 275 CO 0.08 0.22 -0.15 -0.76 0.23 0.00 0.00 176.35 175.97 3d2k s LEU 276 N 0.02 2.56 -0.16 1.79 1.43 0.13 -0.37 118.68 124.08 3d2k s LEU 276 Ca -0.07 -1.04 0.01 0.00 -1.03 0.00 0.00 54.13 52.00 3d2k s LEU 276 Cb -0.15 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.29 3d2k s LEU 276 CO 0.05 -0.13 -0.20 -0.76 0.23 0.00 0.00 176.35 175.54 3d2k s LEU 277 N -3.39 2.16 0.00 1.79 1.43 0.45 0.14 118.68 121.27 3d2k s LEU 277 Ca 0.25 -0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 3d2k s LEU 277 Cb -0.01 -1.48 0.09 0.00 0.03 0.00 0.00 46.19 44.82 3d2k s LEU 277 CO 0.10 0.04 0.48 0.61 0.23 0.00 0.00 176.35 177.81 3d2k n GLY 278 N 4.37 -1.44 0.34 -3.19 0.00 0.14 -1.81 105.19 103.60 3d2k n GLY 278 Ca -0.20 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.14 3d2k n GLY 278 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3d2k h SER 279 N -0.78 1.01 -0.50 1.61 0.87 -1.91 -2.07 113.55 111.79 3d2k h SER 279 Ca -0.16 -0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.18 3d2k h SER 279 Cb 0.44 -0.24 -0.12 0.00 -0.44 0.00 0.00 62.40 62.05 3d2k h SER 279 CO 0.11 0.71 0.26 0.59 -0.53 0.00 0.00 176.83 177.96 3d2k n ASN 280 N -4.49 3.53 -0.16 6.23 3.02 -1.26 -4.86 115.26 117.27 3d2k n ASN 280 Ca 0.11 -2.80 -0.02 0.00 -0.03 0.00 0.00 54.58 51.84 3d2k n ASN 280 Cb 0.06 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 38.56 3d2k n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d2k n GLY 281 N -0.19 0.48 3.73 7.41 0.00 -0.78 -4.99 105.19 110.85 3d2k n GLY 281 Ca 0.28 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3d2k n GLY 281 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d2k s GLU 282 N -1.26 4.51 0.09 1.61 2.12 -1.26 -4.69 118.70 119.82 3d2k s GLU 282 Ca 0.00 1.77 -0.31 0.00 0.36 0.00 0.00 54.97 56.79 3d2k s GLU 282 Cb 0.00 -3.30 -0.08 0.00 0.26 0.00 0.00 34.13 31.01 3d2k s GLU 282 CO 0.00 -0.09 1.47 -1.17 -0.54 0.00 0.00 175.26 174.92 3d2k s LEU 283 N 0.25 4.36 -0.12 2.70 0.20 -1.26 -0.69 118.68 124.12 3d2k s LEU 283 Ca 0.54 2.36 0.02 0.00 0.69 0.00 0.00 54.13 57.74 3d2k s LEU 283 Cb -0.30 -3.58 0.01 0.00 -0.43 0.00 0.00 46.19 41.89 3d2k s LEU 283 CO 0.33 -0.74 -0.18 -0.54 -0.29 0.00 0.00 176.35 174.93 3d2k s LYS 284 N 1.65 2.57 -0.09 1.98 1.02 0.37 -4.48 119.74 122.77 3d2k s LYS 284 Ca 0.67 -0.69 -0.25 0.00 0.02 0.00 0.00 55.97 55.72 3d2k s LYS 284 Cb -0.37 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 3d2k s LYS 284 CO 0.30 -0.03 0.77 -1.50 -0.92 0.00 0.00 175.35 173.97 3d2k s ILE 285 N 0.88 4.98 0.34 2.17 1.10 -0.54 0.17 121.20 130.30 3d2k s ILE 285 Ca -0.07 1.57 0.08 0.00 -0.51 0.00 0.00 60.65 61.72 3d2k s ILE 285 Cb -0.15 -4.10 -0.07 0.00 0.15 0.00 0.00 42.46 38.29 3d2k s ILE 285 CO -0.01 0.18 -0.05 0.00 -2.11 0.00 0.00 174.94 172.94 3d2k s ALA 286 N 1.21 2.82 -0.15 1.50 0.00 -0.61 -1.37 121.76 125.16 3d2k s ALA 286 Ca 0.40 -2.09 -0.04 0.00 0.00 0.00 0.00 51.96 50.22 3d2k s ALA 286 Cb -0.18 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.05 3d2k s ALA 286 CO 0.18 -0.03 0.20 -3.47 0.00 0.00 0.00 175.76 172.64 3d2k n ASP 287 N -0.78 -3.92 -1.97 0.00 4.64 -1.26 -4.83 116.55 108.43 3d2k n ASP 287 Ca -0.05 0.15 -0.20 0.00 -1.38 0.00 0.00 54.79 53.31 3d2k n ASP 287 Cb 0.64 -2.42 0.12 0.00 -1.04 0.00 0.00 41.12 38.42 3d2k n ASP 287 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 3d2k n PHE 288 N -0.55 2.34 -0.02 -0.67 3.01 -1.26 -4.52 117.46 115.79 3d2k n PHE 288 Ca 0.03 -1.75 -0.11 0.00 1.01 0.00 0.00 57.45 56.63 3d2k n PHE 288 Cb 0.20 -0.88 0.02 0.00 -0.01 0.00 0.00 39.48 38.81 3d2k n PHE 288 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3d2k h GLY 289 N 1.87 0.71 -3.23 1.37 0.00 -1.90 -3.11 103.07 98.78 3d2k h GLY 289 Ca 0.47 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3d2k h GLY 289 CO 0.92 0.76 0.00 0.79 0.00 0.00 0.00 176.54 179.01 3d2k n TRP 290 N -3.96 1.69 -2.55 5.60 7.02 -1.26 -4.73 117.44 119.24 3d2k n TRP 290 Ca -0.04 -0.65 -0.35 0.00 -1.02 0.00 0.00 57.50 55.44 3d2k n TRP 290 Cb 0.63 -0.33 -0.04 0.00 -2.42 0.00 0.00 31.31 29.15 3d2k n TRP 290 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3d2k s SER 291 N -0.88 6.56 0.38 -0.99 0.01 -1.17 -4.62 113.70 112.98 3d2k s SER 291 Ca 0.53 1.98 0.08 0.00 1.31 0.00 0.00 55.95 59.85 3d2k s SER 291 Cb 0.36 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.95 3d2k s SER 291 CO 0.22 -0.63 -0.01 0.68 0.41 0.00 0.00 173.24 173.91 3d2k s VAL 292 N -1.83 2.20 -0.16 3.43 -7.23 -1.01 -4.89 120.40 110.92 3d2k s VAL 292 Ca 0.62 -2.05 0.14 0.00 -1.81 0.00 0.00 61.98 58.89 3d2k s VAL 292 Cb -0.19 -2.84 0.39 0.00 0.56 0.00 0.00 36.38 34.29 3d2k s VAL 292 CO 0.23 -0.10 1.19 1.57 -0.31 0.00 0.00 175.10 177.69 3d2k n HIS 293 N -0.93 0.00 -0.04 2.82 -0.00 -1.26 -3.22 115.22 112.59 3d2k n HIS 293 Ca -0.05 -1.22 0.00 0.00 0.46 0.00 0.00 57.72 56.92 3d2k n HIS 293 Cb 0.65 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 3d2k n HIS 293 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 3d2k n THR 305 N -0.90 0.00 0.19 3.57 -2.24 -1.26 -4.82 114.28 108.83 3d2k n THR 305 Ca 0.16 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 3d2k n THR 305 Cb 0.75 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.85 3d2k n THR 305 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3d2k n LEU 306 N -0.19 0.20 0.29 3.22 7.94 -1.26 -4.58 117.00 122.61 3d2k n LEU 306 Ca 0.00 -0.12 0.17 0.00 -1.11 0.00 0.00 56.01 54.95 3d2k n LEU 306 Cb 0.01 0.00 0.85 0.00 0.53 0.00 0.00 43.42 44.81 3d2k n LEU 306 CO 0.00 0.05 1.14 0.44 -1.11 0.00 0.00 177.39 177.91 3d2k h ASP 307 N 0.00 0.00 -0.05 1.96 5.19 -1.97 -2.10 116.42 119.44 3d2k h ASP 307 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3d2k h ASP 307 Cb 0.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.22 3d2k h ASP 307 CO 0.00 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.90 3d2k n TYR 308 N -3.12 0.06 -2.93 4.55 4.02 -1.26 -4.82 117.16 113.65 3d2k n TYR 308 Ca -0.00 -0.06 -0.40 0.00 -0.01 0.00 0.00 57.90 57.43 3d2k n TYR 308 Cb 0.38 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.65 3d2k n TYR 308 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3d2k s LEU 309 N -0.99 4.43 0.65 7.72 1.43 -0.79 -4.58 118.68 126.54 3d2k s LEU 309 Ca 0.15 1.48 -0.14 0.00 -1.03 0.00 0.00 54.13 54.59 3d2k s LEU 309 Cb 0.10 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 3d2k s LEU 309 CO 0.15 -0.05 1.08 -2.16 0.23 0.00 0.00 176.35 175.60 3d2k s PRO 310 N 0.20 2.94 0.58 1.29 0.04 -1.26 -4.95 135.00 133.85 3d2k s PRO 310 Ca 0.41 1.23 0.28 0.00 0.04 0.00 0.00 61.00 62.96 3d2k s PRO 310 Cb -0.20 -1.98 1.57 0.00 0.04 0.00 0.00 34.50 33.93 3d2k s PRO 310 CO 0.24 -1.11 2.02 -1.35 0.04 0.00 0.00 177.00 176.83 3d2k h PRO 311 N -0.07 0.00 0.00 0.56 0.11 -1.92 -0.88 132.00 129.81 3d2k h PRO 311 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3d2k h PRO 311 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3d2k h PRO 311 CO 0.55 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.49 3d2k n GLU 312 N -3.81 0.13 -0.25 1.05 0.00 -1.26 -2.49 120.64 114.01 3d2k n GLU 312 Ca 0.04 0.10 0.07 0.00 0.00 0.00 0.00 57.16 57.37 3d2k n GLU 312 Cb 0.46 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.60 3d2k n GLU 312 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3d2k n MET 313 N -1.41 2.90 0.00 3.44 2.81 -0.33 -5.15 117.12 119.37 3d2k n MET 313 Ca 0.08 -2.26 0.00 0.00 -1.81 0.00 0.00 57.70 53.71 3d2k n MET 313 Cb 0.23 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 3d2k n MET 313 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3d2k n ILE 314 N 0.65 0.49 0.00 2.02 -5.35 -1.04 -4.97 119.36 111.17 3d2k n ILE 314 Ca 0.15 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3d2k n ILE 314 Cb 0.52 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 3d2k n ILE 314 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3d2k n ASP 320 N -0.24 0.00 0.08 7.28 3.85 -1.26 -5.08 116.55 121.18 3d2k n ASP 320 Ca 0.00 0.00 0.13 0.00 -0.71 0.00 0.00 54.79 54.21 3d2k n ASP 320 Cb 0.37 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.60 3d2k n ASP 320 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3d2k n GLU 321 N 0.00 0.17 0.00 0.11 0.28 -1.26 -3.40 120.64 116.54 3d2k n GLU 321 Ca 0.00 0.21 0.08 0.00 -0.16 0.00 0.00 57.16 57.29 3d2k n GLU 321 Cb 0.00 -1.73 0.48 0.00 1.43 0.00 0.00 31.44 31.63 3d2k n GLU 321 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3d2k n LYS 322 N -2.03 0.83 0.08 3.44 4.76 -1.26 -2.78 118.16 121.21 3d2k n LYS 322 Ca 0.05 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.33 3d2k n LYS 322 Cb 0.35 -1.31 -0.09 0.00 -1.84 0.00 0.00 35.03 32.15 3d2k n LYS 322 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 3d2k h VAL 323 N 0.00 1.41 -0.45 -0.18 -1.51 -1.95 -3.02 116.25 110.55 3d2k h VAL 323 Ca 0.00 -2.64 -0.01 0.00 -1.23 0.00 0.00 66.70 62.82 3d2k h VAL 323 Cb 0.00 2.63 -0.02 0.00 -2.13 0.00 0.00 31.29 31.77 3d2k h VAL 323 CO 0.00 0.78 0.25 0.44 -1.23 0.00 0.00 177.57 177.81 3d2k h ASP 324 N 0.19 0.54 -0.39 4.19 3.32 -1.80 -1.26 116.42 121.20 3d2k h ASP 324 Ca -0.12 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 3d2k h ASP 324 Cb 1.76 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.17 3d2k h ASP 324 CO 0.19 0.43 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.75 3d2k h LEU 325 N 0.61 0.96 -0.23 1.55 -0.00 -1.69 0.23 115.31 116.74 3d2k h LEU 325 Ca 0.16 -0.45 -0.01 0.00 -0.00 0.00 0.00 57.88 57.59 3d2k h LEU 325 Cb 0.01 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.40 3d2k h LEU 325 CO -0.03 1.20 0.12 -0.25 -0.00 0.00 0.00 178.44 179.48 3d2k h TRP 326 N 0.72 0.32 -0.83 1.13 2.91 -1.36 -2.72 115.95 116.12 3d2k h TRP 326 Ca 0.07 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.13 3d2k h TRP 326 Cb 0.90 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 29.40 3d2k h TRP 326 CO 0.06 0.29 0.54 0.77 -1.03 0.00 0.00 178.44 179.08 3d2k h SER 327 N 0.25 0.85 -0.76 2.65 0.02 -1.10 -1.82 113.55 113.65 3d2k h SER 327 Ca 0.08 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3d2k h SER 327 Cb 0.08 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 3d2k h SER 327 CO -0.01 0.57 0.50 0.25 -1.14 0.00 0.00 176.83 176.99 3d2k h LEU 328 N 0.98 0.89 -0.07 5.07 5.85 -0.73 -0.50 115.31 126.79 3d2k h LEU 328 Ca 0.34 -0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.82 3d2k h LEU 328 Cb 0.12 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3d2k h LEU 328 CO -0.11 0.65 -0.99 1.23 -0.34 0.00 0.00 178.44 178.89 3d2k h GLY 329 N 1.05 0.05 0.96 3.75 0.00 -1.07 -1.87 103.07 105.94 3d2k h GLY 329 Ca 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3d2k h GLY 329 CO -0.06 0.11 0.16 -2.08 0.00 0.00 0.00 176.54 174.67 3d2k h VAL 330 N 0.02 1.22 0.03 4.60 2.07 -1.02 -2.50 116.25 120.66 3d2k h VAL 330 Ca -0.03 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3d2k h VAL 330 Cb 1.71 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3d2k h VAL 330 CO 0.13 0.26 -0.03 -0.07 0.02 0.00 0.00 177.57 177.88 3d2k h LEU 331 N 0.61 -0.09 -0.69 2.57 -0.00 -0.97 -0.43 115.31 116.31 3d2k h LEU 331 Ca 0.15 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 58.10 3d2k h LEU 331 Cb 0.24 0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 40.88 3d2k h LEU 331 CO -0.01 -0.05 0.40 0.00 -0.00 0.00 0.00 178.44 178.78 3d2k h TYR 333 N 0.74 -0.11 -0.62 0.00 5.03 -1.31 -2.48 116.97 118.23 3d2k h TYR 333 Ca 0.30 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.64 3d2k h TYR 333 Cb 0.15 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.43 3d2k h TYR 333 CO -0.07 0.07 0.38 1.49 -1.32 0.00 0.00 178.16 178.72 3d2k h GLU 334 N -0.29 0.72 -0.55 1.82 4.81 -0.56 0.23 114.58 120.77 3d2k h GLU 334 Ca -0.01 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3d2k h GLU 334 Cb 0.24 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 3d2k h GLU 334 CO 0.02 0.47 0.17 0.74 -0.73 0.00 0.00 179.01 179.69 3d2k h PHE 335 N 0.74 0.30 0.07 0.92 0.04 -0.19 0.59 116.94 119.40 3d2k h PHE 335 Ca 0.25 0.03 -0.24 0.00 2.80 0.00 0.00 57.97 60.81 3d2k h PHE 335 Cb 0.04 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3d2k h PHE 335 CO -0.06 0.06 -1.12 -0.07 -0.60 0.00 0.00 178.31 176.52 3d2k h LEU 336 N 0.34 0.25 0.00 1.54 3.38 -0.98 0.17 115.31 120.00 3d2k h LEU 336 Ca 0.27 -0.26 -0.37 0.00 0.09 0.00 0.00 57.88 57.61 3d2k h LEU 336 Cb 0.34 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 3d2k h LEU 336 CO -0.30 1.20 -2.38 0.52 0.09 0.00 0.00 178.44 177.56 3d2k n VAL 337 N -3.47 1.38 -0.39 1.22 0.31 0.03 -4.52 118.33 112.90 3d2k n VAL 337 Ca -0.05 -0.74 0.00 0.00 -0.01 0.00 0.00 64.34 63.54 3d2k n VAL 337 Cb 0.98 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 3d2k n VAL 337 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d2k n GLY 338 N 1.96 0.80 3.25 2.92 0.00 0.20 -4.85 105.19 109.47 3d2k n GLY 338 Ca -0.36 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 3d2k n GLY 338 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3d2k s MET 339 N -0.62 0.48 0.55 1.61 -1.94 -1.24 -5.01 119.30 113.14 3d2k s MET 339 Ca 0.00 0.33 -0.17 0.00 -1.71 0.00 0.00 55.69 54.14 3d2k s MET 339 Cb 0.00 0.23 -0.06 0.00 2.01 0.00 0.00 34.83 37.01 3d2k s MET 339 CO 0.00 -0.08 1.04 -1.25 -0.01 0.00 0.00 175.02 174.72 3d2k s PRO 340 N -0.18 3.53 0.49 2.03 0.04 -1.26 -3.93 135.00 135.72 3d2k s PRO 340 Ca -0.03 1.23 0.31 0.00 0.04 0.00 0.00 61.00 62.55 3d2k s PRO 340 Cb -0.03 -2.06 1.20 0.00 0.04 0.00 0.00 34.50 33.64 3d2k s PRO 340 CO 0.01 -0.64 1.90 -1.00 0.04 0.00 0.00 177.00 177.32 3d2k h PRO 341 N 0.83 0.00 -0.25 0.56 0.13 -1.89 -3.04 132.00 128.34 3d2k h PRO 341 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3d2k h PRO 341 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3d2k h PRO 341 CO 0.58 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.54 3d2k n PHE 342 N -2.95 0.84 -1.67 1.56 3.72 -1.26 -4.68 117.46 113.01 3d2k n PHE 342 Ca 0.01 -0.86 -0.46 0.00 -0.05 0.00 0.00 57.45 56.09 3d2k n PHE 342 Cb 0.32 -0.28 -0.04 0.00 -0.94 0.00 0.00 39.48 38.54 3d2k n PHE 342 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3d2k n GLU 343 N -0.50 2.20 -3.99 -1.08 4.07 -1.15 -4.62 120.64 115.57 3d2k n GLU 343 Ca 0.20 0.80 -0.10 0.00 -0.06 0.00 0.00 57.16 58.00 3d2k n GLU 343 Cb 0.84 -2.59 -0.07 0.00 -0.06 0.00 0.00 31.44 29.55 3d2k n GLU 343 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3d2k s ALA 344 N 1.86 0.14 0.04 4.31 0.00 -1.26 -4.99 121.76 121.85 3d2k s ALA 344 Ca 0.83 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 51.61 3d2k s ALA 344 Cb -0.67 0.88 -0.15 0.00 0.00 0.00 0.00 23.12 23.18 3d2k s ALA 344 CO 0.41 -0.63 1.30 1.25 0.00 0.00 0.00 175.76 178.09 3d2k h HIS 345 N 2.58 0.49 -2.95 0.00 2.76 -1.97 -3.45 115.15 112.61 3d2k h HIS 345 Ca -0.32 -0.17 -0.55 0.00 -2.20 0.00 0.00 60.37 57.13 3d2k h HIS 345 Cb 1.23 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.07 3d2k h HIS 345 CO 0.40 0.84 -0.32 0.95 -1.30 0.00 0.00 177.93 178.50 3d2k s THR 346 N -4.09 5.19 0.25 6.26 -4.23 -1.26 -4.99 115.64 112.78 3d2k s THR 346 Ca -0.14 -0.24 -0.04 0.00 -1.18 0.00 0.00 61.69 60.09 3d2k s THR 346 Cb 0.05 -3.70 0.25 0.00 1.34 0.00 0.00 72.50 70.44 3d2k s THR 346 CO 0.77 -0.12 1.88 0.22 -0.54 0.00 0.00 174.62 176.83 3d2k h TYR 347 N 2.22 1.13 -0.26 3.99 3.20 -2.00 -2.32 116.97 122.93 3d2k h TYR 347 Ca -0.47 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.29 3d2k h TYR 347 Cb 1.18 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3d2k h TYR 347 CO 0.57 0.60 -0.41 1.96 -1.64 0.00 0.00 178.16 179.25 3d2k h GLN 348 N 1.13 0.63 -0.61 1.82 7.50 -1.98 -1.65 115.11 121.96 3d2k h GLN 348 Ca 0.40 -0.32 -0.06 0.00 0.50 0.00 0.00 58.65 59.17 3d2k h GLN 348 Cb 0.12 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 3d2k h GLN 348 CO -0.16 0.92 0.15 0.93 -1.50 0.00 0.00 178.83 179.18 3d2k h GLU 349 N 0.51 0.97 -0.32 1.46 5.08 -1.90 -1.87 114.58 118.51 3d2k h GLU 349 Ca 0.04 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 3d2k h GLU 349 Cb 0.93 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3d2k h GLU 349 CO 0.08 0.88 -0.20 1.15 -1.00 0.00 0.00 179.01 179.92 3d2k h THR 350 N 0.88 1.29 -0.35 1.13 2.02 -1.19 -1.92 112.91 114.77 3d2k h THR 350 Ca 0.19 -1.33 0.03 0.00 0.77 0.00 0.00 66.41 66.06 3d2k h THR 350 Cb 0.34 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 3d2k h THR 350 CO 0.00 0.43 0.17 0.22 0.37 0.00 0.00 175.52 176.71 3d2k h TYR 351 N 0.47 0.32 -0.77 3.16 3.20 -1.29 -2.04 116.97 120.02 3d2k h TYR 351 Ca 0.07 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3d2k h TYR 351 Cb 0.75 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 3d2k h TYR 351 CO 0.06 0.17 0.29 -0.09 -1.64 0.00 0.00 178.16 176.95 3d2k h ARG 352 N 0.36 1.16 -0.36 1.82 2.43 -1.05 -1.88 114.38 116.86 3d2k h ARG 352 Ca 0.15 -0.22 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 3d2k h ARG 352 Cb 0.06 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3d2k h ARG 352 CO -0.11 0.95 -0.22 0.00 -1.51 0.00 0.00 179.97 179.09 3d2k h ARG 353 N 1.12 0.69 0.29 0.20 3.08 -1.20 -1.64 114.38 116.92 3d2k h ARG 353 Ca 0.25 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3d2k h ARG 353 Cb 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3d2k h ARG 353 CO -0.02 0.86 -0.14 0.82 -1.07 0.00 0.00 179.97 180.42 3d2k h ILE 354 N 0.61 0.73 -0.98 2.04 2.04 -1.07 0.25 117.51 121.14 3d2k h ILE 354 Ca 0.09 -0.58 0.15 0.00 1.00 0.00 0.00 64.86 65.52 3d2k h ILE 354 Cb 0.70 1.04 -0.10 0.00 -0.74 0.00 0.00 36.82 37.72 3d2k h ILE 354 CO 0.05 0.11 0.59 0.28 0.00 0.00 0.00 178.15 179.19 3d2k h SER 355 N -0.71 0.81 0.90 1.72 0.02 -1.34 0.48 113.55 115.43 3d2k h SER 355 Ca -0.04 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3d2k h SER 355 Cb 0.48 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3d2k h SER 355 CO 0.06 0.36 -0.34 0.54 -1.14 0.00 0.00 176.83 176.31 3d2k n ARG 356 N -4.72 0.14 -3.40 3.45 1.74 -0.62 -4.96 116.66 108.29 3d2k n ARG 356 Ca 0.21 0.06 -0.21 0.00 -0.77 0.00 0.00 57.85 57.14 3d2k n ARG 356 Cb 0.46 -1.61 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 3d2k n ARG 356 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3d2k n VAL 357 N -1.83 -8.02 -3.73 1.55 0.31 0.58 -4.95 118.33 102.24 3d2k n VAL 357 Ca 0.05 -1.19 -0.36 0.00 -0.01 0.00 0.00 64.34 62.83 3d2k n VAL 357 Cb 0.39 -5.76 -0.10 0.00 -0.91 0.00 0.00 33.84 27.46 3d2k n VAL 357 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3d2k s GLU 358 N -4.93 2.50 0.04 5.55 2.12 0.57 -5.03 118.70 119.52 3d2k s GLU 358 Ca 0.46 -2.46 0.00 0.00 0.36 0.00 0.00 54.97 53.33 3d2k s GLU 358 Cb -0.10 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 3d2k s GLU 358 CO 0.78 -1.16 -0.04 -0.59 -0.54 0.00 0.00 175.26 173.71 3d2k s PHE 359 N 0.06 0.47 0.09 5.30 -0.71 -1.26 -4.82 117.98 117.12 3d2k s PHE 359 Ca 0.16 -0.77 0.03 0.00 -1.04 0.00 0.00 56.93 55.31 3d2k s PHE 359 Cb -0.21 -0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.24 3d2k s PHE 359 CO -0.03 -0.25 -0.09 0.95 -1.34 0.00 0.00 175.22 174.46 3d2k s THR 360 N -2.62 0.88 -0.15 -4.49 -4.23 -1.26 -5.15 115.64 98.62 3d2k s THR 360 Ca -0.04 -1.66 -0.08 0.00 -1.18 0.00 0.00 61.69 58.74 3d2k s THR 360 Cb -0.02 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 3d2k s THR 360 CO -0.05 -0.60 0.12 -0.36 -0.54 0.00 0.00 174.62 173.19 3d2k s PHE 361 N -2.58 3.49 0.82 3.99 0.40 -1.26 -5.06 117.98 117.77 3d2k s PHE 361 Ca 0.06 0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.69 3d2k s PHE 361 Cb -0.02 -2.01 0.09 0.00 0.51 0.00 0.00 43.02 41.59 3d2k s PHE 361 CO -0.01 0.54 1.15 -1.25 0.70 0.00 0.00 175.22 176.36 3d2k s PRO 362 N -0.49 1.69 0.53 0.24 0.04 -1.26 -4.92 135.00 130.84 3d2k s PRO 362 Ca 0.12 1.53 0.20 0.00 0.04 0.00 0.00 61.00 62.88 3d2k s PRO 362 Cb -0.12 -1.81 1.36 0.00 0.04 0.00 0.00 34.50 33.98 3d2k s PRO 362 CO 0.02 -2.12 2.12 0.38 0.04 0.00 0.00 177.00 177.43 3d2k h ASP 363 N -1.16 0.00 0.91 6.66 3.04 -2.05 -2.68 116.42 121.15 3d2k h ASP 363 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 3d2k h ASP 363 Cb 1.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 3d2k h ASP 363 CO 0.47 0.00 0.00 2.19 -2.04 0.00 0.00 179.24 179.86 3d2k h PHE 364 N 0.00 0.00 -2.96 4.15 -0.00 -2.02 -3.43 116.94 112.68 3d2k h PHE 364 Ca 0.07 0.00 -0.56 0.00 -0.00 0.00 0.00 57.97 57.48 3d2k h PHE 364 Cb 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.20 3d2k h PHE 364 CO 0.00 0.00 0.83 0.08 -0.00 0.00 0.00 178.31 179.22 3d2k s VAL 365 N -3.37 4.19 0.64 0.88 1.01 -1.01 -5.00 120.40 117.73 3d2k s VAL 365 Ca 0.04 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.38 3d2k s VAL 365 Cb 0.09 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3d2k s VAL 365 CO 0.46 -0.07 1.04 0.42 0.00 0.00 0.00 175.10 176.94 3d2k s THR 366 N 2.97 4.29 0.30 3.92 -4.23 -1.26 -4.79 115.64 116.83 3d2k s THR 366 Ca 0.57 0.82 0.05 0.00 -1.18 0.00 0.00 61.69 61.95 3d2k s THR 366 Cb -0.24 -3.59 0.29 0.00 1.34 0.00 0.00 72.50 70.30 3d2k s THR 366 CO 0.19 -0.89 1.78 -0.08 -0.54 0.00 0.00 174.62 175.08 3d2k h GLU 367 N -0.26 0.76 -0.69 3.99 4.22 -1.96 -0.62 114.58 120.02 3d2k h GLU 367 Ca -0.45 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 58.89 3d2k h GLU 367 Cb 1.20 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 3d2k h GLU 367 CO 0.59 0.50 0.20 0.78 -2.18 0.00 0.00 179.01 178.90 3d2k h GLY 368 N 0.78 1.15 1.09 1.92 0.00 -2.00 -2.20 103.07 103.81 3d2k h GLY 368 Ca 0.57 -0.68 -0.19 0.00 0.00 0.00 0.00 47.33 47.02 3d2k h GLY 368 CO -0.37 0.64 -0.62 0.00 0.00 0.00 0.00 176.54 176.18 3d2k h ALA 369 N 1.18 0.33 -0.88 3.60 0.00 -1.59 -2.82 119.26 119.08 3d2k h ALA 369 Ca 0.22 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3d2k h ALA 369 Cb 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3d2k h ALA 369 CO -0.00 0.60 0.58 0.00 0.00 0.00 0.00 179.25 180.42 3d2k h ARG 370 N 0.48 1.06 -0.08 0.00 3.08 -1.04 -1.05 114.38 116.84 3d2k h ARG 370 Ca -0.02 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3d2k h ARG 370 Cb 1.25 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 3d2k h ARG 370 CO 0.13 0.70 -0.02 0.22 -1.07 0.00 0.00 179.97 179.93 3d2k h ASP 371 N 1.10 0.16 0.05 7.04 3.58 -1.39 -0.37 116.42 126.58 3d2k h ASP 371 Ca 0.35 -0.38 0.02 0.00 0.42 0.00 0.00 57.03 57.44 3d2k h ASP 371 Cb 0.04 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 3d2k h ASP 371 CO -0.11 0.50 -0.18 0.25 -2.88 0.00 0.00 179.24 176.82 3d2k h LEU 372 N -0.19 -0.51 -0.28 2.28 7.12 -1.22 -1.66 115.31 120.85 3d2k h LEU 372 Ca 0.02 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.08 3d2k h LEU 372 Cb 0.43 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.76 3d2k h LEU 372 CO 0.01 -0.25 0.11 0.40 -0.13 0.00 0.00 178.44 178.58 3d2k h ILE 373 N -0.32 1.17 -0.05 4.05 2.04 -1.20 -2.57 117.51 120.63 3d2k h ILE 373 Ca 0.04 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.40 3d2k h ILE 373 Cb 0.37 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3d2k h ILE 373 CO -0.13 0.18 0.04 0.28 0.00 0.00 0.00 178.15 178.52 3d2k h SER 374 N 0.30 0.00 0.55 1.72 0.02 -0.90 0.17 113.55 115.41 3d2k h SER 374 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3d2k h SER 374 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3d2k h SER 374 CO -0.01 0.00 -0.33 0.54 -1.14 0.00 0.00 176.83 175.90 3d2k n ARG 375 N -4.09 0.18 -0.13 3.45 1.74 -0.64 -3.90 116.66 113.27 3d2k n ARG 375 Ca -0.02 -0.09 -0.21 0.00 -0.77 0.00 0.00 57.85 56.77 3d2k n ARG 375 Cb 0.14 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.97 3d2k n ARG 375 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3d2k n LEU 376 N -1.33 2.73 -3.93 0.55 4.32 -0.37 -1.25 117.00 117.71 3d2k n LEU 376 Ca 0.08 -0.01 -0.43 0.00 -0.02 0.00 0.00 56.01 55.63 3d2k n LEU 376 Cb 0.33 -0.90 0.00 0.00 -1.62 0.00 0.00 43.42 41.24 3d2k n LEU 376 CO 0.31 0.85 1.84 0.18 -1.22 0.00 0.00 177.39 179.35 3d2k n LEU 377 N -3.50 6.50 -4.29 2.23 4.77 0.47 -4.36 117.00 118.81 3d2k n LEU 377 Ca -0.47 -4.67 -0.32 0.00 -0.03 0.00 0.00 56.01 50.52 3d2k n LEU 377 Cb 0.97 -1.48 -0.16 0.00 -2.33 0.00 0.00 43.42 40.42 3d2k n LEU 377 CO 0.22 1.34 -0.53 -0.54 -1.33 0.00 0.00 177.39 176.54 3d2k s LYS 378 N 0.26 2.79 0.14 3.23 1.02 -1.26 -4.91 119.74 121.00 3d2k s LYS 378 Ca 0.39 -0.84 -0.21 0.00 0.02 0.00 0.00 55.97 55.32 3d2k s LYS 378 Cb 0.08 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 35.12 3d2k s LYS 378 CO 0.01 0.33 1.65 1.25 -0.92 0.00 0.00 175.35 177.68 3d2k h HIS 379 N 6.24 -0.44 -1.95 3.18 -0.00 -1.94 -3.37 115.15 116.87 3d2k h HIS 379 Ca -0.29 0.03 -0.50 0.00 -0.00 0.00 0.00 60.37 59.61 3d2k h HIS 379 Cb 1.19 0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 28.81 3d2k h HIS 379 CO 0.46 -0.25 1.41 1.21 -0.00 0.00 0.00 177.93 180.76 3d2k s ASN 380 N -5.07 5.14 0.24 3.26 3.04 -1.26 -4.87 114.94 115.42 3d2k s ASN 380 Ca -0.14 0.54 -0.04 0.00 0.04 0.00 0.00 52.86 53.26 3d2k s ASN 380 Cb 0.12 -2.52 0.43 0.00 -1.54 0.00 0.00 41.25 37.73 3d2k s ASN 380 CO 0.68 -2.44 1.77 0.00 -3.04 0.00 0.00 177.10 174.07 3d2k h ALA 381 N 15.76 1.12 0.00 1.71 0.00 -1.96 -2.05 119.26 133.84 3d2k h ALA 381 Ca -0.26 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3d2k h ALA 381 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3d2k h ALA 381 CO 1.20 -0.07 0.00 0.66 0.00 0.00 0.00 179.25 181.03 3d2k h SER 382 N 0.60 0.00 0.08 0.00 4.64 -1.93 -2.48 113.55 114.45 3d2k h SER 382 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3d2k h SER 382 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3d2k h SER 382 CO -0.32 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.47 3d2k n GLN 383 N -2.38 1.37 -1.72 4.77 6.02 -0.77 -4.91 117.38 119.76 3d2k n GLN 383 Ca 0.03 -0.91 -0.36 0.00 -0.01 0.00 0.00 57.00 55.74 3d2k n GLN 383 Cb 0.29 -1.48 0.07 0.00 1.02 0.00 0.00 30.24 30.14 3d2k n GLN 383 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3d2k s ARG 384 N -2.26 2.53 0.28 -1.09 0.52 -0.94 -4.96 118.95 113.04 3d2k s ARG 384 Ca 0.29 1.96 -0.30 0.00 -0.52 0.00 0.00 55.73 57.16 3d2k s ARG 384 Cb 0.20 -1.86 -0.11 0.00 0.52 0.00 0.00 34.95 33.70 3d2k s ARG 384 CO 0.43 -1.58 1.51 -1.17 0.02 0.00 0.00 175.30 174.51 3d2k s LEU 385 N -4.48 4.36 0.76 2.53 2.96 -0.38 -5.02 118.68 119.41 3d2k s LEU 385 Ca 0.80 2.82 -0.12 0.00 -0.22 0.00 0.00 54.13 57.42 3d2k s LEU 385 Cb -0.35 -3.63 0.05 0.00 0.50 0.00 0.00 46.19 42.76 3d2k s LEU 385 CO 0.40 -0.81 1.12 0.42 -1.32 0.00 0.00 176.35 176.16 3d2k s THR 386 N -0.08 2.94 0.35 3.68 -4.23 -1.26 -4.87 115.64 112.17 3d2k s THR 386 Ca 0.61 0.30 0.03 0.00 -1.18 0.00 0.00 61.69 61.45 3d2k s THR 386 Cb -0.45 -3.26 0.26 0.00 1.34 0.00 0.00 72.50 70.40 3d2k s THR 386 CO 0.47 -0.40 2.01 -0.07 -0.54 0.00 0.00 174.62 176.09 3d2k h LEU 387 N -0.87 0.71 -0.64 4.79 3.38 -1.95 0.12 115.31 120.86 3d2k h LEU 387 Ca -0.46 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.36 3d2k h LEU 387 Cb 1.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3d2k h LEU 387 CO 0.64 0.52 -0.35 0.00 0.09 0.00 0.00 178.44 179.33 3d2k h ALA 388 N 1.61 0.82 -0.02 1.53 0.00 -1.94 -2.19 119.26 119.07 3d2k h ALA 388 Ca 0.23 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3d2k h ALA 388 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3d2k h ALA 388 CO -0.05 0.64 -0.50 0.93 0.00 0.00 0.00 179.25 180.27 3d2k h GLU 389 N 0.57 0.06 -0.28 0.00 5.08 -1.70 -2.21 114.58 116.11 3d2k h GLU 389 Ca 0.06 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3d2k h GLU 389 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3d2k h GLU 389 CO 0.08 0.55 -0.07 0.28 -1.00 0.00 0.00 179.01 178.84 3d2k h VAL 390 N 0.05 1.28 0.00 3.13 2.07 -0.85 -1.66 116.25 120.27 3d2k h VAL 390 Ca -0.00 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 3d2k h VAL 390 Cb 0.91 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3d2k h VAL 390 CO 0.07 0.35 -0.34 -0.07 0.02 0.00 0.00 177.57 177.60 3d2k h LEU 391 N 0.29 0.00 -0.77 2.57 3.38 -1.28 -2.76 115.31 116.75 3d2k h LEU 391 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3d2k h LEU 391 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3d2k h LEU 391 CO 0.03 0.34 -0.32 1.21 0.09 0.00 0.00 178.44 179.79 3d2k n GLU 392 N -3.81 1.09 -1.86 1.13 4.07 -0.84 -4.58 120.64 115.84 3d2k n GLU 392 Ca -0.01 -0.77 -0.41 0.00 -0.06 0.00 0.00 57.16 55.91 3d2k n GLU 392 Cb 0.42 -1.48 -0.01 0.00 -0.06 0.00 0.00 31.44 30.30 3d2k n GLU 392 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 3d2k s HIS 393 N -2.44 2.78 0.25 4.31 2.46 -0.63 -4.82 115.29 117.20 3d2k s HIS 393 Ca 0.23 0.98 -0.05 0.00 0.47 0.00 0.00 55.06 56.70 3d2k s HIS 393 Cb 0.19 -3.98 0.36 0.00 -0.13 0.00 0.00 32.58 29.02 3d2k s HIS 393 CO 0.52 -3.11 1.85 -1.35 -2.47 0.00 0.00 174.74 170.18 3d2k h PRO 394 N 4.27 0.96 -0.32 2.88 0.11 -1.90 -0.12 132.00 137.88 3d2k h PRO 394 Ca -0.48 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 3d2k h PRO 394 Cb 1.23 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3d2k h PRO 394 CO 0.74 0.64 -0.23 2.35 -0.21 0.00 0.00 178.00 181.28 3d2k h TRP 395 N 0.99 0.71 -0.14 0.65 7.01 -1.91 0.13 115.95 123.39 3d2k h TRP 395 Ca 0.39 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 61.21 3d2k h TRP 395 Cb 0.20 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.08 3d2k h TRP 395 CO -0.03 0.80 -0.01 0.82 -2.79 0.00 0.00 178.44 177.24 3d2k h ILE 396 N 0.55 1.27 -0.40 2.65 1.08 -1.71 -1.76 117.51 119.19 3d2k h ILE 396 Ca 0.08 -0.88 -0.06 0.00 -0.39 0.00 0.00 64.86 63.61 3d2k h ILE 396 Cb 0.69 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 36.00 3d2k h ILE 396 CO 0.05 0.26 -0.01 0.11 -0.69 0.00 0.00 178.15 177.87 3d2k h LYS 397 N -0.03 0.65 -0.10 2.37 1.57 -0.72 -1.26 116.57 119.06 3d2k h LYS 397 Ca 0.04 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 3d2k h LYS 397 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3d2k h LYS 397 CO 0.01 0.68 -0.60 0.00 -0.57 0.00 0.00 179.45 178.97 3d2k h ALA 398 N 1.38 0.79 0.00 3.86 0.00 -0.73 -3.38 119.26 121.19 3d2k h ALA 398 Ca 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3d2k h ALA 398 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3d2k h ALA 398 CO 0.02 0.72 -1.28 0.09 0.00 0.00 0.00 179.25 178.80 3d2k n ASN 399 N -3.89 1.43 -4.72 0.00 3.02 -0.67 -5.01 115.26 105.42 3d2k n ASN 399 Ca -0.03 -0.28 -0.41 0.00 -0.03 0.00 0.00 54.58 53.82 3d2k n ASN 399 Cb 0.62 1.41 -0.04 0.00 -0.61 0.00 0.00 39.78 41.16 3d2k n ASN 399 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3d2k s SER 400 N -3.12 7.25 0.00 6.41 0.15 -0.49 -4.29 113.70 119.60 3d2k s SER 400 Ca -0.02 1.96 0.08 0.00 0.70 0.00 0.00 55.95 58.68 3d2k s SER 400 Cb 0.09 -2.59 0.49 0.00 -1.71 0.00 0.00 66.02 62.31 3d2k s SER 400 CO 0.56 -0.29 0.95 -1.20 1.20 0.00 0.00 173.24 174.46