#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3t h GLN 154 N 0.00 1.16 -0.26 0.00 5.75 -1.97 -1.60 115.11 118.19 3k3t h GLN 154 Ca 0.00 -0.20 -0.11 0.00 -0.15 0.00 0.00 58.65 58.18 3k3t h GLN 154 Cb 0.00 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 3k3t h GLN 154 CO 0.00 0.94 -0.32 0.00 -2.65 0.00 0.00 178.83 176.80 3k3t h ALA 155 N 1.21 0.97 -0.18 3.38 0.00 -1.98 0.66 119.26 123.31 3k3t h ALA 155 Ca 0.26 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3k3t h ALA 155 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3k3t h ALA 155 CO -0.02 0.61 0.10 0.35 0.00 0.00 0.00 179.25 180.29 3k3t h PHE 156 N 0.46 0.20 -0.21 0.00 3.57 -1.77 -0.14 116.94 119.06 3k3t h PHE 156 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3k3t h PHE 156 Cb 0.78 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3k3t h PHE 156 CO 0.03 0.12 0.12 0.28 -2.23 0.00 0.00 178.31 176.62 3k3t h VAL 157 N 0.22 1.10 -0.85 1.41 2.07 -0.97 -1.62 116.25 117.61 3k3t h VAL 157 Ca 0.07 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3k3t h VAL 157 Cb -0.00 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3k3t h VAL 157 CO -0.03 0.10 0.54 0.44 0.02 0.00 0.00 177.57 178.64 3k3t h ASP 158 N 0.23 0.99 -0.25 0.57 5.19 -0.75 -1.11 116.42 121.30 3k3t h ASP 158 Ca 0.07 -0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.25 3k3t h ASP 158 Cb 0.06 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.32 3k3t h ASP 158 CO -0.01 0.74 -0.58 0.00 -3.12 0.00 0.00 179.24 176.26 3k3t h ALA 159 N 1.30 0.46 0.00 3.45 0.00 -0.89 -3.23 119.26 120.35 3k3t h ALA 159 Ca 0.31 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3k3t h ALA 159 Cb -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3k3t h ALA 159 CO -0.06 0.68 -0.55 1.79 0.00 0.00 0.00 179.25 181.11 3k3t h THR 160 N 0.64 0.97 -0.25 0.00 1.35 -1.19 -3.39 112.91 111.05 3k3t h THR 160 Ca 0.00 -2.31 0.06 0.00 -0.55 0.00 0.00 66.41 63.62 3k3t h THR 160 Cb 1.19 2.44 -0.07 0.00 -1.73 0.00 0.00 68.15 69.97 3k3t h THR 160 CO 0.13 0.54 -0.30 -0.25 -0.25 0.00 0.00 175.52 175.39 3k3t h TRP 161 N 0.00 -0.83 -0.18 4.73 2.91 -1.21 0.12 115.95 121.48 3k3t h TRP 161 Ca -0.01 0.04 -0.07 0.00 1.13 0.00 0.00 58.89 59.99 3k3t h TRP 161 Cb 1.39 0.40 -0.01 0.00 -0.51 0.00 0.00 29.16 30.43 3k3t h TRP 161 CO 0.00 -0.37 -0.18 -1.35 -1.03 0.00 0.00 178.44 175.50 3k3t h PRO 162 N -0.31 0.30 -0.21 2.65 0.11 -1.77 0.13 132.00 132.90 3k3t h PRO 162 Ca 0.13 -0.09 -0.19 0.00 0.11 0.00 0.00 66.00 65.96 3k3t h PRO 162 Cb 0.52 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3k3t h PRO 162 CO -0.42 0.49 -0.60 1.96 -0.21 0.00 0.00 178.00 179.21 3k3t h GLN 163 N 0.28 0.79 -0.68 1.05 1.08 -1.65 -1.72 115.11 114.26 3k3t h GLN 163 Ca 0.05 -0.56 -0.02 0.00 -1.45 0.00 0.00 58.65 56.67 3k3t h GLN 163 Cb 0.49 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 3k3t h GLN 163 CO 0.03 1.18 0.34 0.00 -0.95 0.00 0.00 178.83 179.43 3k3t h ALA 164 N 0.61 0.87 -0.45 3.87 0.00 -0.34 -0.98 119.26 122.85 3k3t h ALA 164 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3k3t h ALA 164 Cb 1.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3k3t h ALA 164 CO 0.13 0.42 0.22 0.00 0.00 0.00 0.00 179.25 180.03 3k3t h ALA 165 N 1.16 0.58 -0.01 0.00 0.00 -0.68 0.32 119.26 120.62 3k3t h ALA 165 Ca 0.24 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k3t h ALA 165 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3k3t h ALA 165 CO -0.03 0.13 -0.04 -0.22 0.00 0.00 0.00 179.25 179.09 3k3t h LYS 166 N 0.58 -0.06 -0.35 0.00 3.64 -1.08 -0.74 116.57 118.56 3k3t h LYS 166 Ca 0.15 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3k3t h LYS 166 Cb 0.10 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3k3t h LYS 166 CO -0.02 -0.04 -0.14 0.00 -2.27 0.00 0.00 179.45 176.98 3k3t h ALA 167 N 0.94 0.49 -0.38 5.00 0.00 -1.00 -2.90 119.26 121.41 3k3t h ALA 167 Ca 0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3k3t h ALA 167 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3k3t h ALA 167 CO -0.05 0.39 -0.22 0.00 0.00 0.00 0.00 179.25 179.38 3k3t h ALA 168 N 0.79 0.90 -0.79 0.00 0.00 -0.27 -2.14 119.26 117.76 3k3t h ALA 168 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3k3t h ALA 168 Cb 0.67 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3k3t h ALA 168 CO 0.05 0.62 0.42 1.96 0.00 0.00 0.00 179.25 182.29 3k3t h GLN 169 N 0.66 1.10 0.00 0.00 4.20 -1.12 0.29 115.11 120.24 3k3t h GLN 169 Ca 0.09 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3k3t h GLN 169 Cb 0.72 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3k3t h GLN 169 CO 0.06 0.82 -0.29 0.66 -0.67 0.00 0.00 178.83 179.40 3k3t h SER 170 N 1.10 0.00 0.13 1.46 4.64 -1.26 -2.78 113.55 116.85 3k3t h SER 170 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3k3t h SER 170 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3k3t h SER 170 CO -0.04 0.29 -0.39 0.18 -0.87 0.00 0.00 176.83 175.99 3k3t n LEU 171 N -3.88 1.41 -2.01 5.97 4.77 -0.63 -4.97 117.00 117.66 3k3t n LEU 171 Ca -0.02 -0.46 -0.18 0.00 -0.03 0.00 0.00 56.01 55.32 3k3t n LEU 171 Cb 0.37 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3k3t n LEU 171 CO 0.36 0.27 -0.23 0.61 -1.33 0.00 0.00 177.39 177.07 3k3t n GLY 172 N 1.39 -0.17 3.57 -0.72 0.00 0.90 -2.29 105.19 107.87 3k3t n GLY 172 Ca 0.10 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3k3t n GLY 172 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k3t s VAL 173 N -2.89 3.08 0.43 1.61 -7.23 -0.50 -3.15 120.40 111.75 3k3t s VAL 173 Ca 0.00 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.91 3k3t s VAL 173 Cb 0.00 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 3k3t s VAL 173 CO 0.00 -0.32 1.37 -2.84 -0.31 0.00 0.00 175.10 173.00 3k3t s PRO 174 N -3.41 3.83 0.28 4.82 0.02 -1.26 -4.11 135.00 135.17 3k3t s PRO 174 Ca 0.29 2.30 -0.01 0.00 0.02 0.00 0.00 61.00 63.60 3k3t s PRO 174 Cb -0.07 -2.71 0.47 0.00 0.02 0.00 0.00 34.50 32.21 3k3t s PRO 174 CO 0.17 -0.65 1.89 0.00 -0.33 0.00 0.00 177.00 178.07 3k3t h ALA 175 N 2.51 1.46 0.00 -1.55 0.00 -1.90 -2.36 119.26 117.42 3k3t h ALA 175 Ca -0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3k3t h ALA 175 Cb 1.26 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3k3t h ALA 175 CO 0.62 0.38 -0.01 1.12 0.00 0.00 0.00 179.25 181.36 3k3t h HIS 176 N 1.11 0.00 -0.64 0.00 2.07 -1.92 -2.08 115.15 113.68 3k3t h HIS 176 Ca 0.43 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.95 3k3t h HIS 176 Cb 0.22 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.17 3k3t h HIS 176 CO -0.00 0.01 0.39 0.74 -3.07 0.00 0.00 177.93 176.00 3k3t h PHE 177 N 0.00 0.84 -0.13 6.12 -1.00 -1.80 0.05 116.94 121.03 3k3t h PHE 177 Ca -0.00 -0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.56 3k3t h PHE 177 Cb 0.27 -0.28 0.01 0.00 3.61 0.00 0.00 35.95 39.56 3k3t h PHE 177 CO 0.00 0.57 -0.80 -0.07 -1.61 0.00 0.00 178.31 176.40 3k3t h LEU 178 N 0.87 0.88 -0.34 1.54 4.07 -1.51 -1.95 115.31 118.88 3k3t h LEU 178 Ca 0.23 -0.59 0.02 0.00 0.08 0.00 0.00 57.88 57.62 3k3t h LEU 178 Cb -0.03 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.42 3k3t h LEU 178 CO -0.04 1.39 0.18 0.58 -1.08 0.00 0.00 178.44 179.46 3k3t h VAL 179 N 0.49 1.00 -0.58 1.22 2.07 -1.40 -1.51 116.25 117.55 3k3t h VAL 179 Ca -0.06 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3k3t h VAL 179 Cb 1.43 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 3k3t h VAL 179 CO 0.16 0.07 0.35 0.00 0.02 0.00 0.00 177.57 178.17 3k3t h ALA 180 N 1.17 0.75 -0.62 1.67 0.00 -0.94 0.53 119.26 121.81 3k3t h ALA 180 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3k3t h ALA 180 Cb 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3k3t h ALA 180 CO -0.09 0.08 0.37 0.37 0.00 0.00 0.00 179.25 179.98 3k3t h GLN 181 N 0.69 0.84 -0.57 0.00 4.15 -1.07 -0.46 115.11 118.69 3k3t h GLN 181 Ca 0.24 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.47 3k3t h GLN 181 Cb 0.03 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 3k3t h GLN 181 CO -0.11 0.61 -0.05 0.00 -1.93 0.00 0.00 178.83 177.35 3k3t h ALA 182 N 1.19 0.78 -0.57 3.38 0.00 -0.98 -1.69 119.26 121.37 3k3t h ALA 182 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3k3t h ALA 182 Cb -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3k3t h ALA 182 CO -0.04 0.66 0.37 0.00 0.00 0.00 0.00 179.25 180.24 3k3t h ALA 183 N 0.96 0.72 -0.56 0.00 0.00 -0.46 -1.52 119.26 118.39 3k3t h ALA 183 Ca 0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3k3t h ALA 183 Cb 0.62 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3k3t h ALA 183 CO 0.04 0.17 0.11 1.25 0.00 0.00 0.00 179.25 180.82 3k3t h LEU 184 N 0.77 0.88 -1.39 0.00 5.85 -1.00 0.17 115.31 120.58 3k3t h LEU 184 Ca 0.21 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3k3t h LEU 184 Cb -0.08 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3k3t h LEU 184 CO -0.04 0.90 -0.30 0.00 -0.34 0.00 0.00 178.44 178.65 3k3t h ALA 185 N 1.01 1.50 -0.01 1.25 0.00 -0.97 -3.30 119.26 118.74 3k3t h ALA 185 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k3t h ALA 185 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3k3t h ALA 185 CO 0.01 0.38 0.00 0.25 0.00 0.00 0.00 179.25 179.89 3k3t n THR 186 N -4.18 0.52 -3.42 0.00 -2.24 -0.60 -4.93 114.28 99.43 3k3t n THR 186 Ca -0.02 -0.76 -0.17 0.00 -2.27 0.00 0.00 64.05 60.83 3k3t n THR 186 Cb 0.35 0.75 0.08 0.00 -2.10 0.00 0.00 70.33 69.41 3k3t n THR 186 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k3t n GLY 187 N -0.22 -0.47 3.65 3.38 0.00 0.21 -0.21 105.19 111.53 3k3t n GLY 187 Ca 0.00 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3k3t n GLY 187 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3k3t n TRP 188 N -4.02 -2.46 -0.56 1.61 7.02 0.33 -2.10 117.44 117.26 3k3t n TRP 188 Ca -0.26 0.87 0.00 0.00 -1.02 0.00 0.00 57.50 57.09 3k3t n TRP 188 Cb 0.66 -4.38 0.00 0.00 -2.42 0.00 0.00 31.31 25.17 3k3t n TRP 188 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3k3t n GLY 189 N -1.76 1.21 0.16 6.99 0.00 -1.10 -4.57 105.19 106.11 3k3t n GLY 189 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 3k3t n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k3t h LYS 190 N 3.27 0.00 -2.96 1.61 1.57 -0.88 -3.38 116.57 115.80 3k3t h LYS 190 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3k3t h LYS 190 Cb 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.91 3k3t h LYS 190 CO 0.00 0.52 -0.71 -1.12 -0.57 0.00 0.00 179.45 177.57 3k3t s SER 191 N -6.58 3.75 0.05 0.86 0.01 0.71 -5.04 113.70 107.46 3k3t s SER 191 Ca 0.00 -3.21 0.07 0.00 1.31 0.00 0.00 55.95 54.13 3k3t s SER 191 Cb 0.11 -1.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.09 3k3t s SER 191 CO 0.73 -0.18 -0.18 -1.10 0.41 0.00 0.00 173.24 172.92 3k3t s GLN 192 N -0.44 2.04 0.07 12.44 -0.21 -1.26 -4.46 119.66 127.84 3k3t s GLN 192 Ca 0.23 -1.00 -0.31 0.00 0.02 0.00 0.00 55.36 54.30 3k3t s GLN 192 Cb -0.12 -2.18 -0.07 0.00 1.00 0.00 0.00 33.01 31.64 3k3t s GLN 192 CO -0.10 0.53 1.42 0.42 -2.12 0.00 0.00 175.29 175.45 3k3t s ILE 193 N -0.95 3.42 -0.02 1.08 1.01 -1.26 -4.98 121.20 119.50 3k3t s ILE 193 Ca 0.15 0.95 0.05 0.00 0.00 0.00 0.00 60.65 61.80 3k3t s ILE 193 Cb -0.10 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 3k3t s ILE 193 CO 0.06 0.04 -0.18 -0.60 0.00 0.00 0.00 174.94 174.26 3k3t s ARG 194 N 1.69 2.30 0.93 2.79 3.52 -1.26 -1.72 118.95 127.21 3k3t s ARG 194 Ca 0.65 -0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 55.31 3k3t s ARG 194 Cb -0.35 -2.25 0.15 0.00 -1.56 0.00 0.00 34.95 30.93 3k3t s ARG 194 CO 0.29 0.59 1.09 -0.80 -0.81 0.00 0.00 175.30 175.66 3k3t s ASN 195 N -0.90 3.10 0.44 -2.12 0.01 0.65 -4.86 114.94 111.25 3k3t s ASN 195 Ca 0.12 1.62 0.11 0.00 -0.71 0.00 0.00 52.86 54.00 3k3t s ASN 195 Cb -0.10 -2.27 0.96 0.00 0.41 0.00 0.00 41.25 40.25 3k3t s ASN 195 CO 0.02 -2.89 2.03 0.11 -1.51 0.00 0.00 177.10 174.86 3k3t h LYS 196 N -1.72 0.24 0.00 -0.60 1.57 -1.93 -1.84 116.57 112.29 3k3t h LYS 196 Ca -0.50 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3k3t h LYS 196 Cb 1.28 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3k3t h LYS 196 CO 0.52 0.25 0.00 -0.40 -0.57 0.00 0.00 179.45 179.24 3k3t n ASP 197 N -4.42 0.00 0.00 0.86 5.68 -1.26 -4.88 116.55 112.53 3k3t n ASP 197 Ca -0.00 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.65 3k3t n ASP 197 Cb 0.15 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3k3t n ASP 197 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k3t n GLY 198 N 0.82 0.73 3.85 6.12 0.00 -0.69 -5.07 105.19 110.95 3k3t n GLY 198 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3k3t n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k3t s THR 199 N -2.60 4.63 0.46 2.61 -4.23 -1.26 -4.79 115.64 110.45 3k3t s THR 199 Ca 0.00 1.00 -0.23 0.00 -1.18 0.00 0.00 61.69 61.28 3k3t s THR 199 Cb 0.00 -3.70 -0.08 0.00 1.34 0.00 0.00 72.50 70.06 3k3t s THR 199 CO 0.00 -0.54 1.14 -2.84 -0.54 0.00 0.00 174.62 171.84 3k3t s PRO 200 N -3.80 3.80 0.42 3.99 0.02 -1.26 -0.26 135.00 137.92 3k3t s PRO 200 Ca 0.56 1.71 0.23 0.00 0.02 0.00 0.00 61.00 63.52 3k3t s PRO 200 Cb -0.10 -2.40 0.47 0.00 0.02 0.00 0.00 34.50 32.49 3k3t s PRO 200 CO 0.28 -0.50 1.64 0.66 -0.33 0.00 0.00 177.00 178.76 3k3t h SER 201 N 2.06 0.00 0.00 2.53 4.64 -1.62 -3.44 113.55 117.72 3k3t h SER 201 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3k3t h SER 201 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3k3t h SER 201 CO 0.60 0.13 0.00 -1.22 -0.87 0.00 0.00 176.83 175.48 3k3t n TYR 202 N -3.15 0.00 -1.99 4.77 4.01 -1.26 -0.22 117.16 119.32 3k3t n TYR 202 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 3k3t n TYR 202 Cb 0.54 -1.66 0.00 0.00 -0.31 0.00 0.00 39.34 37.91 3k3t n TYR 202 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3k3t n ASN 203 N -0.81 4.21 0.00 7.72 2.85 -1.26 -4.69 115.26 123.28 3k3t n ASN 203 Ca 0.00 -2.88 0.12 0.00 -0.11 0.00 0.00 54.58 51.72 3k3t n ASN 203 Cb 0.41 -1.67 0.55 0.00 1.24 0.00 0.00 39.78 40.31 3k3t n ASN 203 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k3t n LEU 204 N 6.52 0.00 -0.95 1.20 -0.00 -1.26 -1.80 117.00 120.71 3k3t n LEU 204 Ca 0.50 0.46 0.11 0.00 -0.00 0.00 0.00 56.01 57.08 3k3t n LEU 204 Cb 0.41 -0.46 0.14 0.00 -0.00 0.00 0.00 43.42 43.50 3k3t n LEU 204 CO 0.86 -0.07 0.63 0.49 -0.00 0.00 0.00 177.39 179.30 3k3t n PHE 205 N -1.46 0.22 -3.71 1.47 3.72 -1.26 -4.45 117.46 111.99 3k3t n PHE 205 Ca 0.07 -0.12 -0.26 0.00 -0.05 0.00 0.00 57.45 57.09 3k3t n PHE 205 Cb 0.28 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.87 3k3t n PHE 205 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3k3t n ASN 206 N 1.27 -5.02 -4.70 4.37 3.02 -0.75 -4.94 115.26 108.52 3k3t n ASN 206 Ca 0.15 -0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 53.62 3k3t n ASN 206 Cb 0.55 -4.53 -0.03 0.00 -0.61 0.00 0.00 39.78 35.16 3k3t n ASN 206 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3k3t s ILE 207 N -3.34 4.41 0.50 2.41 -1.09 -1.26 -4.99 121.20 117.83 3k3t s ILE 207 Ca 0.52 1.73 -0.21 0.00 -2.23 0.00 0.00 60.65 60.46 3k3t s ILE 207 Cb -0.24 -4.11 -0.07 0.00 -1.58 0.00 0.00 42.46 36.46 3k3t s ILE 207 CO 0.77 0.09 1.14 -0.54 -1.23 0.00 0.00 174.94 175.18 3k3t s LYS 208 N 1.37 3.59 -0.45 2.79 1.02 -1.26 -1.58 119.74 125.22 3k3t s LYS 208 Ca 0.55 1.69 -0.19 0.00 0.02 0.00 0.00 55.97 58.04 3k3t s LYS 208 Cb -0.25 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 34.87 3k3t s LYS 208 CO 0.26 -0.67 0.55 0.00 -0.92 0.00 0.00 175.35 174.57 3k3t s ALA 209 N -1.66 3.39 0.00 5.17 0.00 0.04 -4.49 121.76 124.22 3k3t s ALA 209 Ca 0.68 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3k3t s ALA 209 Cb -0.26 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3k3t s ALA 209 CO 0.31 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.71 3k3t n GLY 210 N 5.10 3.18 0.24 0.00 0.00 -1.26 -4.73 105.19 107.72 3k3t n GLY 210 Ca -0.05 -2.05 0.10 0.00 0.00 0.00 0.00 46.02 44.02 3k3t n GLY 210 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k3t h SER 211 N 0.00 0.00 -0.11 1.61 4.64 -2.03 -2.61 113.55 115.06 3k3t h SER 211 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k3t h SER 211 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3k3t h SER 211 CO 0.00 0.20 0.00 -0.46 -0.87 0.00 0.00 176.83 175.70 3k3t n ASN 212 N -3.59 1.75 -4.61 4.97 6.94 -1.26 -4.84 115.26 114.63 3k3t n ASN 212 Ca -0.01 -1.65 -0.39 0.00 -0.02 0.00 0.00 54.58 52.51 3k3t n ASN 212 Cb 0.34 -0.06 -0.09 0.00 -2.36 0.00 0.00 39.78 37.60 3k3t n ASN 212 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 3k3t s TRP 213 N -1.87 3.25 -1.16 -2.53 -0.11 -0.98 -4.93 118.94 110.59 3k3t s TRP 213 Ca 0.35 0.38 0.10 0.00 1.22 0.00 0.00 56.10 58.15 3k3t s TRP 213 Cb 0.19 -2.55 0.13 0.00 -1.50 0.00 0.00 33.47 29.74 3k3t s TRP 213 CO 0.30 -0.22 0.93 0.25 -4.62 0.00 0.00 176.95 173.59 3k3t n THR 214 N 5.09 0.25 -1.01 5.86 -2.24 -1.26 -4.84 114.28 116.13 3k3t n THR 214 Ca -0.09 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3k3t n THR 214 Cb 0.51 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 3k3t n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k3t n GLY 215 N 0.54 -0.00 3.77 3.38 0.00 -1.26 -5.03 105.19 106.58 3k3t n GLY 215 Ca 0.07 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 3k3t n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k3t s LYS 216 N -0.42 3.90 -0.03 1.61 1.02 -1.26 -4.94 119.74 119.63 3k3t s LYS 216 Ca 0.00 2.16 0.06 0.00 0.02 0.00 0.00 55.97 58.21 3k3t s LYS 216 Cb 0.00 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 3k3t s LYS 216 CO 0.00 -0.55 -0.21 0.08 -0.92 0.00 0.00 175.35 173.76 3k3t s VAL 217 N -1.27 1.65 -0.05 3.17 1.01 -1.26 -1.27 120.40 122.39 3k3t s VAL 217 Ca 0.58 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3k3t s VAL 217 Cb -0.38 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 3k3t s VAL 217 CO 0.49 0.47 -0.16 0.54 0.00 0.00 0.00 175.10 176.43 3k3t s VAL 218 N -0.34 1.37 0.01 2.92 0.11 0.04 -4.87 120.40 119.65 3k3t s VAL 218 Ca 0.04 -0.68 -0.15 0.00 -2.93 0.00 0.00 61.98 58.26 3k3t s VAL 218 Cb -0.09 -1.19 -0.06 0.00 -1.53 0.00 0.00 36.38 33.51 3k3t s VAL 218 CO 0.00 0.40 0.43 -1.61 -3.33 0.00 0.00 175.10 170.99 3k3t s GLU 219 N 0.11 3.95 -0.03 1.54 2.02 -1.26 -0.35 118.70 124.69 3k3t s GLU 219 Ca -0.05 0.46 -0.09 0.00 0.02 0.00 0.00 54.97 55.30 3k3t s GLU 219 Cb -0.12 -3.22 0.01 0.00 0.10 0.00 0.00 34.13 30.91 3k3t s GLU 219 CO 0.02 0.68 0.20 0.00 0.02 0.00 0.00 175.26 176.19 3k3t s ALA 220 N -1.09 -0.50 -0.03 5.21 0.00 -0.72 -4.97 121.76 119.66 3k3t s ALA 220 Ca 0.25 0.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.13 3k3t s ALA 220 Cb -0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3k3t s ALA 220 CO 0.14 -0.19 0.84 1.03 0.00 0.00 0.00 175.76 177.58 3k3t s ARG 221 N -0.95 4.50 0.19 0.00 0.52 -1.26 -1.40 118.95 120.55 3k3t s ARG 221 Ca -0.10 1.16 0.08 0.00 -0.52 0.00 0.00 55.73 56.35 3k3t s ARG 221 Cb -0.05 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 3k3t s ARG 221 CO 0.02 0.02 -0.01 0.95 0.02 0.00 0.00 175.30 176.30 3k3t s THR 222 N 0.86 3.65 0.01 0.02 -4.23 0.17 -4.93 115.64 111.19 3k3t s THR 222 Ca 0.45 -1.51 -0.13 0.00 -1.18 0.00 0.00 61.69 59.32 3k3t s THR 222 Cb -0.20 -2.85 -0.06 0.00 1.34 0.00 0.00 72.50 70.74 3k3t s THR 222 CO 0.23 -0.15 0.39 -0.69 -0.54 0.00 0.00 174.62 173.86 3k3t s VAL 223 N -1.81 5.08 0.00 2.29 1.01 -1.26 -0.32 120.40 125.39 3k3t s VAL 223 Ca 0.28 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3k3t s VAL 223 Cb -0.09 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3k3t s VAL 223 CO 0.18 0.50 0.00 0.29 0.00 0.00 0.00 175.10 176.07 3k3t n LYS 231 N 1.56 0.00 -4.08 2.72 5.02 -1.26 -4.96 118.16 117.17 3k3t n LYS 231 Ca -0.13 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.82 3k3t n LYS 231 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.43 3k3t n LYS 231 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k3t s VAL 232 N 0.00 4.48 0.17 -0.18 1.01 -1.26 -5.10 120.40 119.52 3k3t s VAL 232 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 61.93 3k3t s VAL 232 Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3k3t s VAL 232 CO 0.00 0.45 -0.20 -0.13 0.00 0.00 0.00 175.10 175.22 3k3t s ARG 233 N 0.55 1.34 -0.31 2.72 1.81 0.57 -4.94 118.95 120.69 3k3t s ARG 233 Ca 0.01 -1.44 -0.11 0.00 -1.72 0.00 0.00 55.73 52.48 3k3t s ARG 233 Cb -0.13 -1.46 -0.02 0.00 -0.45 0.00 0.00 34.95 32.88 3k3t s ARG 233 CO 0.02 0.30 0.19 0.08 -0.68 0.00 0.00 175.30 175.21 3k3t s VAL 234 N -1.95 5.00 0.08 3.52 1.01 -1.26 0.42 120.40 127.22 3k3t s VAL 234 Ca 0.17 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.99 3k3t s VAL 234 Cb -0.06 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3k3t s VAL 234 CO 0.08 0.09 0.01 -0.70 0.00 0.00 0.00 175.10 174.57 3k3t s GLU 235 N 1.69 2.61 -0.22 2.72 2.56 -0.49 -4.95 118.70 122.61 3k3t s GLU 235 Ca 0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 54.97 54.11 3k3t s GLU 235 Cb -0.17 -2.58 -0.05 0.00 2.00 0.00 0.00 34.13 33.34 3k3t s GLU 235 CO 0.09 0.55 0.24 1.03 -0.56 0.00 0.00 175.26 176.61 3k3t s ARG 236 N -2.20 4.13 0.20 4.30 0.52 -1.26 -1.75 118.95 122.88 3k3t s ARG 236 Ca 0.25 -0.09 0.10 0.00 -0.52 0.00 0.00 55.73 55.48 3k3t s ARG 236 Cb -0.12 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 3k3t s ARG 236 CO 0.17 0.08 -0.21 -0.06 0.02 0.00 0.00 175.30 175.30 3k3t s PHE 237 N 0.99 2.13 0.54 -0.53 0.08 0.52 -0.78 117.98 120.94 3k3t s PHE 237 Ca 0.12 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.58 3k3t s PHE 237 Cb -0.14 -1.04 -0.06 0.00 -0.57 0.00 0.00 43.02 41.22 3k3t s PHE 237 CO 0.05 0.47 1.11 1.03 -0.10 0.00 0.00 175.22 177.78 3k3t s ARG 238 N -2.84 3.39 0.03 0.44 0.52 -0.61 -0.78 118.95 119.10 3k3t s ARG 238 Ca 0.20 1.54 0.04 0.00 -0.52 0.00 0.00 55.73 56.98 3k3t s ARG 238 Cb -0.07 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 3k3t s ARG 238 CO 0.09 -0.80 -0.11 0.00 0.02 0.00 0.00 175.30 174.50 3k3t s ALA 239 N -1.88 0.88 0.37 2.13 0.00 -0.39 -4.60 121.76 118.27 3k3t s ALA 239 Ca 0.71 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3k3t s ALA 239 Cb -0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3k3t s ALA 239 CO 0.27 0.13 0.10 0.71 0.00 0.00 0.00 175.76 176.98 3k3t s TYR 240 N -0.90 1.82 -0.51 0.00 2.02 0.70 -3.99 117.35 116.49 3k3t s TYR 240 Ca -0.02 -1.16 0.23 0.00 -0.37 0.00 0.00 57.07 55.75 3k3t s TYR 240 Cb -0.08 -1.17 0.17 0.00 -0.40 0.00 0.00 41.96 40.48 3k3t s TYR 240 CO 0.01 -0.20 1.16 -0.25 -1.57 0.00 0.00 175.55 174.70 3k3t n ASP 241 N -1.01 0.71 -3.67 2.29 8.00 -1.26 -4.58 116.55 117.02 3k3t n ASP 241 Ca -0.04 0.10 -0.03 0.00 0.71 0.00 0.00 54.79 55.53 3k3t n ASP 241 Cb 0.66 0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 42.15 3k3t n ASP 241 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3k3t s SER 242 N -4.49 -0.17 0.31 -2.24 1.04 -1.26 -5.00 113.70 101.89 3k3t s SER 242 Ca 0.03 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.22 3k3t s SER 242 Cb 0.12 0.37 0.50 0.00 0.10 0.00 0.00 66.02 67.11 3k3t s SER 242 CO 0.76 -0.66 1.87 1.88 0.98 0.00 0.00 173.24 178.07 3k3t h TYR 243 N 2.00 0.75 -0.36 5.02 0.05 -1.95 -2.16 116.97 120.33 3k3t h TYR 243 Ca -0.25 -0.06 0.08 0.00 0.05 0.00 0.00 58.73 58.56 3k3t h TYR 243 Cb 1.22 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 38.65 3k3t h TYR 243 CO 0.34 0.63 -0.18 1.49 -1.05 0.00 0.00 178.16 179.39 3k3t h GLU 244 N 0.72 -0.11 -0.47 4.88 4.81 -1.95 0.44 114.58 122.90 3k3t h GLU 244 Ca 0.17 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 3k3t h GLU 244 Cb 0.24 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3k3t h GLU 244 CO -0.01 -0.07 -0.19 0.37 -0.73 0.00 0.00 179.01 178.38 3k3t h GLN 245 N -0.11 0.93 -0.49 1.92 4.15 -1.90 -1.89 115.11 117.72 3k3t h GLN 245 Ca 0.18 -0.38 0.05 0.00 0.77 0.00 0.00 58.65 59.27 3k3t h GLN 245 Cb 0.39 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 3k3t h GLN 245 CO -0.44 1.03 0.23 0.00 -1.93 0.00 0.00 178.83 177.73 3k3t h ALA 246 N 0.96 0.62 -0.05 3.38 0.00 -0.87 -1.41 119.26 121.89 3k3t h ALA 246 Ca 0.11 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3k3t h ALA 246 Cb 0.74 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3k3t h ALA 246 CO 0.06 -0.13 -0.54 0.74 0.00 0.00 0.00 179.25 179.38 3k3t h PHE 247 N 0.45 0.16 -0.53 0.00 0.04 -0.74 -1.34 116.94 114.99 3k3t h PHE 247 Ca 0.22 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3k3t h PHE 247 Cb 0.15 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3k3t h PHE 247 CO -0.11 0.64 0.28 1.96 -0.60 0.00 0.00 178.31 180.48 3k3t h GLN 248 N 0.10 0.74 -0.48 1.51 4.20 -0.99 0.07 115.11 120.26 3k3t h GLN 248 Ca -0.00 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 3k3t h GLN 248 Cb 0.99 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 3k3t h GLN 248 CO 0.08 0.58 0.07 0.22 -0.67 0.00 0.00 178.83 179.11 3k3t h ASP 249 N 0.70 0.78 -0.40 1.46 3.58 -1.00 -1.73 116.42 119.81 3k3t h ASP 249 Ca 0.18 -0.27 0.04 0.00 0.42 0.00 0.00 57.03 57.41 3k3t h ASP 249 Cb 0.07 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 3k3t h ASP 249 CO -0.03 0.85 0.16 0.22 -2.88 0.00 0.00 179.24 177.57 3k3t h TYR 250 N 0.68 0.30 -0.84 0.28 3.20 -1.07 -0.50 116.97 119.01 3k3t h TYR 250 Ca 0.15 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 3k3t h TYR 250 Cb 0.41 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 3k3t h TYR 250 CO 0.03 0.13 0.42 0.00 -1.64 0.00 0.00 178.16 177.10 3k3t h ALA 251 N 1.24 1.15 0.23 1.82 0.00 -0.80 0.70 119.26 123.59 3k3t h ALA 251 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3k3t h ALA 251 Cb 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3k3t h ALA 251 CO -0.16 0.65 -0.11 0.22 0.00 0.00 0.00 179.25 179.85 3k3t h ASP 252 N 1.20 -0.26 0.54 0.00 3.58 -0.98 0.35 116.42 120.86 3k3t h ASP 252 Ca 0.29 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 3k3t h ASP 252 Cb 0.10 0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.22 3k3t h ASP 252 CO -0.04 -0.10 -0.26 0.25 -2.88 0.00 0.00 179.24 176.21 3k3t h LEU 253 N -0.40 -0.61 -0.29 2.28 5.85 -0.73 -1.65 115.31 119.76 3k3t h LEU 253 Ca -0.03 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.50 3k3t h LEU 253 Cb 0.30 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3k3t h LEU 253 CO 0.05 -0.42 -0.84 0.58 -0.34 0.00 0.00 178.44 177.47 3k3t h VAL 254 N -0.75 1.41 0.00 1.05 2.07 -0.95 -2.25 116.25 116.83 3k3t h VAL 254 Ca -0.07 -2.35 -0.14 0.00 0.82 0.00 0.00 66.70 64.95 3k3t h VAL 254 Cb 0.57 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3k3t h VAL 254 CO 0.12 0.70 -0.67 1.23 0.02 0.00 0.00 177.57 178.97 3k3t h GLY 255 N 1.37 0.00 0.00 2.17 0.00 -0.94 -3.39 103.07 102.28 3k3t h GLY 255 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.08 3k3t h GLY 255 CO 0.14 0.00 -1.75 0.70 0.00 0.00 0.00 176.54 175.63 3k3t n ASN 256 N -3.67 2.33 -4.69 0.19 5.03 -0.62 -4.98 115.26 108.85 3k3t n ASN 256 Ca -0.01 -0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.02 3k3t n ASN 256 Cb 0.68 0.74 -0.03 0.00 -1.02 0.00 0.00 39.78 40.15 3k3t n ASN 256 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3k3t s SER 257 N -4.37 6.75 0.46 6.41 0.01 -0.85 -4.92 113.70 117.20 3k3t s SER 257 Ca -0.06 2.25 0.12 0.00 1.31 0.00 0.00 55.95 59.58 3k3t s SER 257 Cb 0.03 -2.56 1.06 0.00 0.21 0.00 0.00 66.02 64.76 3k3t s SER 257 CO 0.44 -0.79 2.08 -0.65 0.41 0.00 0.00 173.24 174.74 3k3t h PRO 258 N 8.05 0.30 0.00 12.44 0.11 -1.93 -1.31 132.00 149.66 3k3t h PRO 258 Ca -0.40 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 3k3t h PRO 258 Cb 1.19 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3k3t h PRO 258 CO 0.91 0.20 -0.07 0.07 -0.21 0.00 0.00 178.00 178.90 3k3t h ARG 259 N 0.31 0.00 -0.35 1.05 0.11 -1.91 -1.65 114.38 111.93 3k3t h ARG 259 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 3k3t h ARG 259 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 3k3t h ARG 259 CO -0.02 0.07 0.00 0.66 0.10 0.00 0.00 179.97 180.78 3k3t n TYR 260 N -3.41 0.46 0.30 4.08 4.01 -0.50 -3.29 117.16 118.81 3k3t n TYR 260 Ca -0.01 -0.23 0.18 0.00 -0.16 0.00 0.00 57.90 57.67 3k3t n TYR 260 Cb 0.22 0.00 1.00 0.00 -0.31 0.00 0.00 39.34 40.26 3k3t n TYR 260 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k3t h ALA 261 N 3.91 1.39 0.00 -0.72 0.00 -1.29 -1.68 119.26 120.87 3k3t h ALA 261 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k3t h ALA 261 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3k3t h ALA 261 CO 0.00 -0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.83 3k3t n LYS 262 N -3.56 0.07 -0.03 0.00 4.76 -1.26 -3.80 118.16 114.34 3k3t n LYS 262 Ca -0.02 0.13 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 3k3t n LYS 262 Cb 0.12 -1.60 -0.07 0.00 -1.84 0.00 0.00 35.03 31.64 3k3t n LYS 262 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3k3t h VAL 263 N 0.00 1.27 -2.94 -0.18 2.07 -1.58 -3.43 116.25 111.45 3k3t h VAL 263 Ca 0.00 -0.86 -0.57 0.00 0.82 0.00 0.00 66.70 66.08 3k3t h VAL 263 Cb 0.49 1.63 0.09 0.00 -1.52 0.00 0.00 31.29 31.99 3k3t h VAL 263 CO 0.00 0.25 0.63 0.00 0.02 0.00 0.00 177.57 178.46 3k3t n ALA 264 N -2.31 1.39 -0.36 1.67 0.00 -1.25 -2.34 120.51 117.31 3k3t n ALA 264 Ca -0.06 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3k3t n ALA 264 Cb 0.22 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.37 3k3t n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k3t n GLY 265 N 1.77 1.88 3.72 0.00 0.00 -0.97 -5.01 105.19 106.58 3k3t n GLY 265 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3k3t n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k3t s LYS 266 N -0.15 4.39 0.00 1.61 -0.14 -0.99 -4.91 119.74 119.55 3k3t s LYS 266 Ca 0.00 1.96 0.00 0.00 -1.36 0.00 0.00 55.97 56.57 3k3t s LYS 266 Cb 0.00 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.89 3k3t s LYS 266 CO 0.00 -0.30 0.73 0.25 -0.76 0.00 0.00 175.35 175.26 3k3t n THR 267 N 3.49 0.47 -4.43 2.17 -2.24 -1.26 -4.35 114.28 108.13 3k3t n THR 267 Ca 0.09 -0.72 -0.34 0.00 -2.27 0.00 0.00 64.05 60.81 3k3t n THR 267 Cb 0.44 0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 69.33 3k3t n THR 267 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k3t s ASP 268 N -0.47 4.81 0.15 3.42 2.15 -1.26 -4.99 116.67 120.48 3k3t s ASP 268 Ca 0.00 -0.10 -0.19 0.00 0.43 0.00 0.00 52.55 52.69 3k3t s ASP 268 Cb 0.00 -1.69 0.05 0.00 -0.30 0.00 0.00 42.92 40.98 3k3t s ASP 268 CO 0.00 0.21 1.67 1.23 -0.17 0.00 0.00 175.17 178.11 3k3t h GLY 269 N 6.43 0.17 1.03 2.66 0.00 -1.94 -0.85 103.07 110.57 3k3t h GLY 269 Ca -0.34 0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3k3t h GLY 269 CO 0.61 -0.15 0.00 0.84 0.00 0.00 0.00 176.54 177.85 3k3t h HIS 270 N -0.05 1.02 -0.80 5.60 6.17 -1.90 -1.35 115.15 123.84 3k3t h HIS 270 Ca 0.16 -0.18 -0.02 0.00 0.71 0.00 0.00 60.37 61.04 3k3t h HIS 270 Cb 0.29 -0.27 -0.04 0.00 2.52 0.00 0.00 27.41 29.92 3k3t h HIS 270 CO -0.33 0.94 0.44 0.00 0.71 0.00 0.00 177.93 179.68 3k3t h ALA 271 N 0.95 1.03 -0.30 5.26 0.00 -1.89 0.83 119.26 125.15 3k3t h ALA 271 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k3t h ALA 271 Cb 0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3k3t h ALA 271 CO 0.03 0.54 0.19 0.35 0.00 0.00 0.00 179.25 180.36 3k3t h PHE 272 N 1.12 0.38 -0.59 0.00 3.57 -0.96 -1.40 116.94 119.06 3k3t h PHE 272 Ca 0.28 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 3k3t h PHE 272 Cb 0.04 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3k3t h PHE 272 CO 0.00 0.25 0.21 0.00 -2.23 0.00 0.00 178.31 176.55 3k3t h ALA 273 N 1.10 0.77 -0.88 2.41 0.00 -0.75 -1.16 119.26 120.75 3k3t h ALA 273 Ca 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k3t h ALA 273 Cb -0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3k3t h ALA 273 CO -0.02 0.41 0.58 0.00 0.00 0.00 0.00 179.25 180.22 3k3t h ARG 274 N 0.82 1.14 -0.53 0.00 3.08 -0.72 -1.07 114.38 117.11 3k3t h ARG 274 Ca 0.19 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 3k3t h ARG 274 Cb 0.24 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3k3t h ARG 274 CO -0.01 0.75 -0.13 0.00 -1.07 0.00 0.00 179.97 179.52 3k3t h ALA 275 N 1.46 0.73 -0.77 0.04 0.00 -0.75 -0.01 119.26 119.96 3k3t h ALA 275 Ca 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3k3t h ALA 275 Cb -0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3k3t h ALA 275 CO -0.08 0.66 0.42 -0.07 0.00 0.00 0.00 179.25 180.18 3k3t h LEU 276 N 0.90 0.97 -0.42 0.00 3.38 -0.88 -2.01 115.31 117.25 3k3t h LEU 276 Ca 0.14 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3k3t h LEU 276 Cb 0.70 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3k3t h LEU 276 CO 0.05 0.79 0.07 -0.61 0.09 0.00 0.00 178.44 178.83 3k3t h GLN 277 N 1.07 0.69 -0.83 1.13 4.15 -0.85 -1.50 115.11 118.97 3k3t h GLN 277 Ca 0.27 -0.18 0.13 0.00 0.77 0.00 0.00 58.65 59.63 3k3t h GLN 277 Cb 0.04 -0.08 -0.09 0.00 0.21 0.00 0.00 27.48 27.57 3k3t h GLN 277 CO -0.04 0.73 0.43 1.49 -1.93 0.00 0.00 178.83 179.51 3k3t h GLU 278 N 0.55 0.64 0.00 1.69 4.81 -0.84 -0.26 114.58 121.17 3k3t h GLU 278 Ca 0.13 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3k3t h GLU 278 Cb 0.37 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3k3t h GLU 278 CO 0.01 0.42 0.00 0.78 -0.73 0.00 0.00 179.01 179.49 3k3t h GLY 279 N 0.66 0.00 0.00 1.92 0.00 -1.04 -3.47 103.07 101.14 3k3t h GLY 279 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3k3t h GLY 279 CO -0.33 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.82 3k3t n GLY 280 N -0.02 0.98 0.20 4.60 0.00 -0.11 -4.73 105.19 106.11 3k3t n GLY 280 Ca 0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 3k3t n GLY 280 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3k3t h TYR 281 N 0.00 0.61 -3.15 1.61 3.20 -1.47 -3.44 116.97 114.33 3k3t h TYR 281 Ca 0.00 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 3k3t h TYR 281 Cb 0.08 -0.19 -0.24 0.00 1.54 0.00 0.00 36.73 37.93 3k3t h TYR 281 CO 0.00 0.49 -0.39 0.00 -1.64 0.00 0.00 178.16 176.61 3k3t s ALA 282 N -5.76 -0.63 -0.65 1.82 0.00 -1.26 -5.06 121.76 110.21 3k3t s ALA 282 Ca -0.13 0.53 0.15 0.00 0.00 0.00 0.00 51.96 52.50 3k3t s ALA 282 Cb 0.11 -0.25 -0.17 0.00 0.00 0.00 0.00 23.12 22.81 3k3t s ALA 282 CO 0.75 -0.17 0.61 0.25 0.00 0.00 0.00 175.76 177.20 3k3t n THR 283 N 2.37 0.00 -1.69 0.00 -2.24 -1.26 -4.60 114.28 106.86 3k3t n THR 283 Ca -0.16 -0.16 -0.45 0.00 -2.27 0.00 0.00 64.05 61.01 3k3t n THR 283 Cb 0.57 0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 3k3t n THR 283 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k3t n ASP 284 N -1.40 3.36 0.30 3.42 3.85 -1.26 -4.87 116.55 119.95 3k3t n ASP 284 Ca 0.02 1.08 0.17 0.00 -0.71 0.00 0.00 54.79 55.35 3k3t n ASP 284 Cb 0.25 -1.47 0.97 0.00 -1.35 0.00 0.00 41.12 39.51 3k3t n ASP 284 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.20 177.74 3k3t h PRO 285 N 6.07 0.00 -0.17 0.11 0.13 -2.05 -1.97 132.00 134.12 3k3t h PRO 285 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3k3t h PRO 285 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3k3t h PRO 285 CO 0.90 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.56 3k3t n SER 286 N -3.63 1.73 -0.02 1.44 3.41 -1.26 -4.53 113.62 110.77 3k3t n SER 286 Ca -0.03 -1.71 -0.10 0.00 -0.26 0.00 0.00 58.87 56.77 3k3t n SER 286 Cb 0.10 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3k3t n SER 286 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3k3t h TYR 287 N 2.32 0.09 -0.55 7.33 3.20 -1.73 -1.21 116.97 126.42 3k3t h TYR 287 Ca 0.00 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3k3t h TYR 287 Cb 0.51 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 3k3t h TYR 287 CO 0.10 0.05 0.36 0.00 -1.64 0.00 0.00 178.16 177.03 3k3t h ALA 288 N 1.09 0.70 -0.56 1.82 0.00 -1.83 0.25 119.26 120.73 3k3t h ALA 288 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3k3t h ALA 288 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3k3t h ALA 288 CO -0.06 0.13 0.30 -0.44 0.00 0.00 0.00 179.25 179.17 3k3t h ASP 289 N 0.73 0.71 -0.30 0.00 3.32 -1.82 -1.14 116.42 117.92 3k3t h ASP 289 Ca 0.20 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3k3t h ASP 289 Cb -0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3k3t h ASP 289 CO -0.05 0.61 0.07 0.11 -1.72 0.00 0.00 179.24 178.27 3k3t h LYS 290 N 0.75 0.48 -0.32 3.56 1.57 -0.78 -2.14 116.57 119.68 3k3t h LYS 290 Ca 0.20 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 3k3t h LYS 290 Cb 0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3k3t h LYS 290 CO -0.03 0.55 -0.23 1.25 -0.57 0.00 0.00 179.45 180.42 3k3t h LEU 291 N 0.32 0.76 -1.21 2.94 5.85 -0.89 -2.89 115.31 120.19 3k3t h LEU 291 Ca 0.09 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.42 3k3t h LEU 291 Cb 0.29 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3k3t h LEU 291 CO 0.00 1.04 0.55 0.00 -0.34 0.00 0.00 178.44 179.69 3k3t h ALA 292 N 0.75 1.51 -0.90 1.25 0.00 -1.20 0.02 119.26 120.69 3k3t h ALA 292 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3k3t h ALA 292 Cb 0.79 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3k3t h ALA 292 CO 0.06 0.39 0.48 -0.09 0.00 0.00 0.00 179.25 180.10 3k3t h ARG 293 N 1.01 1.26 -0.10 0.00 2.43 -1.22 0.39 114.38 118.15 3k3t h ARG 293 Ca 0.34 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3k3t h ARG 293 Cb 0.09 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3k3t h ARG 293 CO -0.11 0.93 -0.07 0.28 -1.51 0.00 0.00 179.97 179.49 3k3t h VAL 294 N 1.26 1.33 -0.84 0.20 2.07 -1.17 -0.97 116.25 118.13 3k3t h VAL 294 Ca 0.31 -1.14 0.08 0.00 0.82 0.00 0.00 66.70 66.78 3k3t h VAL 294 Cb 0.04 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 3k3t h VAL 294 CO -0.05 0.32 0.50 0.40 0.02 0.00 0.00 177.57 178.77 3k3t h ILE 295 N -0.15 0.97 -0.02 4.57 2.04 -0.72 -2.58 117.51 121.61 3k3t h ILE 295 Ca 0.02 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3k3t h ILE 295 Cb 0.54 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3k3t h ILE 295 CO 0.02 0.16 -0.11 0.59 0.00 0.00 0.00 178.15 178.81 3k3t n ASN 296 N -4.69 2.22 -4.87 1.72 5.03 0.10 -4.88 115.26 109.89 3k3t n ASN 296 Ca 0.13 -1.67 -0.31 0.00 0.87 0.00 0.00 54.58 53.61 3k3t n ASN 296 Cb 0.23 0.09 0.01 0.00 -1.02 0.00 0.00 39.78 39.10 3k3t n ASN 296 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3k3t s GLY 297 N -2.13 1.64 0.26 7.41 0.00 -0.37 -4.97 107.32 109.17 3k3t s GLY 297 Ca 0.29 -0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.88 3k3t s GLY 297 CO 0.38 0.12 1.67 3.43 0.00 0.00 0.00 173.10 178.70 3k3t h ASN 298 N -0.30 0.46 -0.21 1.64 2.35 -1.88 -2.64 115.58 115.01 3k3t h ASN 298 Ca -0.44 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.14 3k3t h ASN 298 Cb 1.20 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 3k3t h ASN 298 CO 0.62 0.78 0.10 0.00 -1.65 0.00 0.00 177.43 177.28 3k3t h ALA 299 N 1.25 0.24 -0.19 -0.83 0.00 -1.94 -0.06 119.26 117.74 3k3t h ALA 299 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3k3t h ALA 299 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3k3t h ALA 299 CO 0.06 -0.31 0.03 1.25 0.00 0.00 0.00 179.25 180.29 3k3t h LEU 300 N 0.22 0.30 -0.51 0.00 5.85 -1.79 -2.54 115.31 116.85 3k3t h LEU 300 Ca 0.08 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.62 3k3t h LEU 300 Cb 0.02 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3k3t h LEU 300 CO -0.06 0.48 0.17 -0.09 -0.34 0.00 0.00 178.44 178.61 3k3t h ARG 301 N 0.11 0.33 -0.65 1.25 2.43 -1.26 0.51 114.38 117.11 3k3t h ARG 301 Ca 0.06 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3k3t h ARG 301 Cb 0.31 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3k3t h ARG 301 CO 0.00 0.22 0.27 1.96 -1.51 0.00 0.00 179.97 180.92 3k3t h GLN 302 N 0.34 0.96 -0.15 0.20 4.20 -0.98 -1.28 115.11 118.41 3k3t h GLN 302 Ca 0.25 -0.17 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 3k3t h GLN 302 Cb 0.28 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3k3t h GLN 302 CO -0.26 0.80 -0.47 0.00 -0.67 0.00 0.00 178.83 178.23 3k3t h ARG 303 N 0.91 0.37 -0.42 1.46 3.08 -0.98 -1.42 114.38 117.38 3k3t h ARG 303 Ca 0.22 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 3k3t h ARG 303 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3k3t h ARG 303 CO -0.02 0.77 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.49 3k3t h LEU 304 N 0.30 0.80 -0.51 3.04 3.38 -0.69 -1.23 115.31 120.41 3k3t h LEU 304 Ca 0.02 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3k3t h LEU 304 Cb 0.94 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3k3t h LEU 304 CO 0.08 0.97 0.26 0.24 0.09 0.00 0.00 178.44 180.08 3k3t h MET 305 N 0.63 0.71 -0.42 1.13 2.86 -1.10 -2.33 114.93 116.41 3k3t h MET 305 Ca 0.11 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3k3t h MET 305 Cb 0.60 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3k3t h MET 305 CO 0.04 0.57 0.22 0.00 1.06 0.00 0.00 176.91 178.80 3k3t h ALA 306 N 1.10 1.61 -0.07 6.32 0.00 -1.18 -2.86 119.26 124.18 3k3t h ALA 306 Ca 0.18 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3k3t h ALA 306 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3k3t h ALA 306 CO -0.03 0.33 -0.60 0.66 0.00 0.00 0.00 179.25 179.61 3k3t h SER 307 N 0.58 0.27 -3.93 0.00 4.64 -0.70 -3.46 113.55 110.95 3k3t h SER 307 Ca 0.15 -0.16 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3k3t h SER 307 Cb 0.03 -0.08 0.08 0.00 -0.31 0.00 0.00 62.40 62.12 3k3t h SER 307 CO -0.02 0.81 0.64 0.00 -0.87 0.00 0.00 176.83 177.38 3k3t s ALA 308 N -3.76 3.34 0.14 5.18 0.00 -0.96 -4.93 121.76 120.76 3k3t s ALA 308 Ca -0.04 1.28 0.25 0.00 0.00 0.00 0.00 51.96 53.45 3k3t s ALA 308 Cb 0.12 -3.50 0.97 0.00 0.00 0.00 0.00 23.12 20.71 3k3t s ALA 308 CO 0.80 -0.82 1.85 0.00 0.00 0.00 0.00 175.76 177.59 3k3t h ALA 309 N 2.84 1.03 -2.17 0.00 0.00 -1.88 -3.46 119.26 115.62 3k3t h ALA 309 Ca -0.50 -0.18 -0.43 0.00 0.00 0.00 0.00 54.91 53.80 3k3t h ALA 309 Cb 1.24 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 3k3t h ALA 309 CO 0.63 0.25 -0.70 -1.54 0.00 0.00 0.00 179.25 177.89 3k3t s SER 310 N -6.15 2.40 0.00 0.00 1.04 -1.26 -5.23 113.70 104.50 3k3t s SER 310 Ca 0.01 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.32 3k3t s SER 310 Cb 0.10 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3k3t s SER 310 CO 0.63 -0.31 0.06 0.00 0.98 0.00 0.00 173.24 174.60