#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k61 n PRO 169 N 0.00 0.86 -0.24 3.23 -0.04 -1.26 -4.92 135.00 132.63 3k61 n PRO 169 Ca 0.00 0.34 -0.02 0.00 -0.04 0.00 0.00 63.50 63.78 3k61 n PRO 169 Cb 0.00 -2.18 0.09 0.00 -0.04 0.00 0.00 33.50 31.37 3k61 n PRO 169 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k61 h THR 170 N 0.42 1.02 0.00 0.52 1.03 -2.07 -3.05 112.91 110.78 3k61 h THR 170 Ca -0.49 -0.26 -0.00 0.00 -0.01 0.00 0.00 66.41 65.65 3k61 h THR 170 Cb 1.37 0.19 -0.00 0.00 -1.07 0.00 0.00 68.15 68.64 3k61 h THR 170 CO 0.50 0.14 -0.02 4.11 -0.01 0.00 0.00 175.52 180.24 3k61 h TRP 171 N 0.77 0.00 -3.57 0.00 5.08 -2.07 -3.52 115.95 112.64 3k61 h TRP 171 Ca 0.29 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.77 3k61 h TRP 171 Cb 0.12 0.00 0.04 0.00 -3.00 0.00 0.00 29.16 26.32 3k61 h TRP 171 CO -0.06 0.02 0.12 -1.54 -1.28 0.00 0.00 178.44 175.70 3k61 s SER 172 N -5.65 6.21 0.00 0.11 1.04 -1.16 -5.23 113.70 109.03 3k61 s SER 172 Ca -0.00 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3k61 s SER 172 Cb 0.10 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 64.02 3k61 s SER 172 CO 0.53 -0.62 0.00 0.54 0.98 0.00 0.00 173.24 174.67 3k61 n ARG 180 N -2.29 0.00 -0.63 4.02 1.74 -1.26 -4.90 116.66 113.35 3k61 n ARG 180 Ca 0.01 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 3k61 n ARG 180 Cb 0.55 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 32.19 3k61 n ARG 180 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3k61 n SER 181 N 0.00 -1.60 -2.76 0.55 3.41 -1.26 -3.93 113.62 108.03 3k61 n SER 181 Ca 0.00 0.05 -0.12 0.00 -0.26 0.00 0.00 58.87 58.54 3k61 n SER 181 Cb 0.00 -1.21 0.06 0.00 -0.26 0.00 0.00 64.21 62.80 3k61 n SER 181 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3k61 n ARG 182 N -3.43 -3.70 -4.29 4.33 0.00 -1.26 -5.04 116.66 103.27 3k61 n ARG 182 Ca 0.05 0.62 -0.31 0.00 -0.00 0.00 0.00 57.85 58.20 3k61 n ARG 182 Cb 0.56 -4.83 -0.09 0.00 0.00 0.00 0.00 32.46 28.10 3k61 n ARG 182 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3k61 s LEU 183 N -5.00 3.33 0.03 6.15 2.96 -1.25 -5.12 118.68 119.77 3k61 s LEU 183 Ca 0.11 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3k61 s LEU 183 Cb -0.01 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 3k61 s LEU 183 CO 0.53 0.24 0.18 -0.94 -1.32 0.00 0.00 176.35 175.03 3k61 s SER 184 N -1.82 6.24 0.22 3.68 1.04 -1.26 -5.01 113.70 116.79 3k61 s SER 184 Ca 0.21 0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.83 3k61 s SER 184 Cb -0.11 -1.91 0.18 0.00 0.10 0.00 0.00 66.02 64.27 3k61 s SER 184 CO 0.12 0.21 1.82 0.25 0.98 0.00 0.00 173.24 176.62 3k61 h LEU 185 N 3.47 1.09 -1.26 2.42 5.85 -1.98 -2.68 115.31 122.22 3k61 h LEU 185 Ca -0.47 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.09 3k61 h LEU 185 Cb 1.17 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3k61 h LEU 185 CO 0.71 0.92 0.17 0.28 -0.34 0.00 0.00 178.44 180.18 3k61 h SER 186 N 1.19 0.63 -0.40 1.25 0.02 -1.99 -0.69 113.55 113.55 3k61 h SER 186 Ca 0.29 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 3k61 h SER 186 Cb 0.11 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 3k61 h SER 186 CO -0.04 0.58 0.14 -0.33 -1.14 0.00 0.00 176.83 176.04 3k61 h GLU 187 N 0.68 0.29 -0.35 3.45 5.08 -1.89 0.82 114.58 122.65 3k61 h GLU 187 Ca 0.16 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3k61 h GLU 187 Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3k61 h GLU 187 CO -0.01 0.19 0.00 0.28 -1.00 0.00 0.00 179.01 178.47 3k61 h VAL 188 N 0.29 1.26 -0.53 3.13 2.07 -1.24 -1.26 116.25 119.97 3k61 h VAL 188 Ca 0.19 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 3k61 h VAL 188 Cb 0.17 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3k61 h VAL 188 CO -0.19 0.32 -0.07 -0.07 0.02 0.00 0.00 177.57 177.57 3k61 h LEU 189 N 0.43 0.96 -0.52 2.57 3.38 -0.84 -2.96 115.31 118.33 3k61 h LEU 189 Ca 0.10 -0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 3k61 h LEU 189 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3k61 h LEU 189 CO 0.02 1.06 -0.74 0.44 0.09 0.00 0.00 178.44 179.31 3k61 h ASP 190 N 0.88 0.01 -0.14 -0.43 3.45 -0.78 -3.31 116.42 116.11 3k61 h ASP 190 Ca 0.15 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.55 3k61 h ASP 190 Cb 0.62 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.37 3k61 h ASP 190 CO 0.04 0.75 -0.04 0.77 -1.57 0.00 0.00 179.24 179.18 3k61 h SER 191 N 0.01 0.38 0.00 6.45 4.64 -1.05 -3.46 113.55 120.52 3k61 h SER 191 Ca -0.01 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3k61 h SER 191 Cb 1.31 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3k61 h SER 191 CO 0.10 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 3k61 n GLY 192 N -0.90 0.73 1.41 -0.77 0.00 -1.23 -4.93 105.19 99.49 3k61 n GLY 192 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3k61 n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k61 n ASP 193 N 0.00 4.55 -0.09 1.61 10.43 -1.26 -4.68 116.55 127.12 3k61 n ASP 193 Ca 0.00 -3.08 -0.06 0.00 2.57 0.00 0.00 54.79 54.22 3k61 n ASP 193 Cb 0.00 -0.63 0.01 0.00 1.84 0.00 0.00 41.12 42.34 3k61 n ASP 193 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3k61 h LEU 194 N 2.59 -0.04 -2.02 0.64 6.46 -1.92 -2.02 115.31 119.00 3k61 h LEU 194 Ca 0.06 0.06 0.14 0.00 -0.12 0.00 0.00 57.88 58.02 3k61 h LEU 194 Cb 1.78 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.79 3k61 h LEU 194 CO 0.41 0.01 0.42 0.24 -0.62 0.00 0.00 178.44 178.90 3k61 h MET 195 N 0.14 0.00 -0.09 1.25 2.86 -1.94 0.11 114.93 117.27 3k61 h MET 195 Ca 0.15 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.60 3k61 h MET 195 Cb 0.18 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.86 3k61 h MET 195 CO -0.22 0.00 -0.70 0.87 1.06 0.00 0.00 176.91 177.92 3k61 h LYS 196 N 0.00 0.62 -0.56 1.72 1.57 -1.73 -3.19 116.57 115.01 3k61 h LYS 196 Ca 0.23 -0.56 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 3k61 h LYS 196 Cb 1.06 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3k61 h LYS 196 CO -0.00 1.17 0.25 0.74 -0.57 0.00 0.00 179.45 181.04 3k61 h PHE 197 N 0.26 0.82 0.00 -1.35 0.04 -0.74 -3.12 116.94 112.85 3k61 h PHE 197 Ca -0.06 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 3k61 h PHE 197 Cb 1.35 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 3k61 h PHE 197 CO 0.11 0.65 -0.24 0.00 -0.60 0.00 0.00 178.31 178.23 3k61 h ALA 198 N 1.09 1.29 -0.02 2.45 0.00 -1.14 0.07 119.26 123.00 3k61 h ALA 198 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k61 h ALA 198 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3k61 h ALA 198 CO -0.02 0.30 -0.22 1.33 0.00 0.00 0.00 179.25 180.64 3k61 n VAL 199 N -3.79 0.00 -3.39 0.00 0.24 -1.20 -2.90 118.33 107.29 3k61 n VAL 199 Ca -0.02 -0.36 -0.38 0.00 -2.04 0.00 0.00 64.34 61.55 3k61 n VAL 199 Cb 0.34 1.25 -0.06 0.00 -1.47 0.00 0.00 33.84 33.90 3k61 n VAL 199 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3k61 s ASP 200 N -2.23 6.92 0.11 -1.34 2.15 -0.91 -4.83 116.67 116.54 3k61 s ASP 200 Ca 0.24 1.10 -0.28 0.00 0.43 0.00 0.00 52.55 54.04 3k61 s ASP 200 Cb 0.19 -2.30 -0.09 0.00 -0.30 0.00 0.00 42.92 40.42 3k61 s ASP 200 CO 0.43 0.29 1.63 0.50 -0.17 0.00 0.00 175.17 177.85 3k61 h LYS 201 N 4.71 -0.50 -0.26 4.34 1.63 -1.90 0.73 116.57 125.32 3k61 h LYS 201 Ca -0.50 0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.17 3k61 h LYS 201 Cb 1.22 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 3k61 h LYS 201 CO 0.63 -0.33 -0.47 1.15 -3.45 0.00 0.00 179.45 176.98 3k61 h THR 202 N -0.52 1.29 -0.72 1.00 2.02 -1.95 -1.84 112.91 112.20 3k61 h THR 202 Ca 0.02 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.54 3k61 h THR 202 Cb 0.53 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 3k61 h THR 202 CO -0.15 0.54 0.46 1.23 0.37 0.00 0.00 175.52 177.97 3k61 h GLY 203 N 0.53 1.02 1.89 2.16 0.00 -1.69 -1.78 103.07 105.20 3k61 h GLY 203 Ca 0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 46.79 3k61 h GLY 203 CO 0.11 0.39 -0.73 0.00 0.00 0.00 0.00 176.54 176.30 3k61 h GLN 205 N 0.06 1.14 0.04 0.00 4.15 -1.00 -0.93 115.11 118.57 3k61 h GLN 205 Ca -0.02 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3k61 h GLN 205 Cb 1.30 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.73 3k61 h GLN 205 CO 0.10 0.76 -0.02 0.35 -1.93 0.00 0.00 178.83 178.09 3k61 h PHE 206 N 1.17 -0.05 -0.33 3.99 3.57 -1.09 -2.94 116.94 121.26 3k61 h PHE 206 Ca 0.31 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 3k61 h PHE 206 Cb -0.12 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3k61 h PHE 206 CO -0.01 0.10 0.19 -0.07 -2.23 0.00 0.00 178.31 176.29 3k61 h LEU 207 N -0.18 0.40 -1.56 0.59 3.38 -1.19 -0.79 115.31 115.95 3k61 h LEU 207 Ca -0.01 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.06 3k61 h LEU 207 Cb 0.17 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3k61 h LEU 207 CO 0.01 0.34 0.52 -0.33 0.09 0.00 0.00 178.44 179.07 3k61 h GLU 208 N 0.42 0.41 0.23 1.13 4.39 -1.20 0.18 114.58 120.15 3k61 h GLU 208 Ca 0.12 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.46 3k61 h GLU 208 Cb 0.02 -0.09 0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3k61 h GLU 208 CO -0.02 0.27 -1.47 -0.22 -1.16 0.00 0.00 179.01 176.41 3k61 h LYS 209 N 0.42 0.49 -0.66 2.33 1.63 -1.24 -3.33 116.57 116.21 3k61 h LYS 209 Ca 0.39 -0.84 -0.09 0.00 -0.85 0.00 0.00 60.65 59.26 3k61 h LYS 209 Cb 0.91 0.31 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 3k61 h LYS 209 CO -0.13 1.40 0.08 0.00 -3.45 0.00 0.00 179.45 177.36 3k61 h ALA 210 N 0.22 0.88 0.00 5.00 0.00 0.07 -2.68 119.26 122.75 3k61 h ALA 210 Ca -0.25 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3k61 h ALA 210 Cb 2.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3k61 h ALA 210 CO 0.26 0.67 0.00 1.33 0.00 0.00 0.00 179.25 181.51 3k61 n VAL 211 N -4.20 0.14 0.27 0.00 0.24 0.53 -2.04 118.33 113.28 3k61 n VAL 211 Ca 0.04 0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.50 3k61 n VAL 211 Cb 0.31 -0.65 0.14 0.00 -1.47 0.00 0.00 33.84 32.16 3k61 n VAL 211 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3k61 h LYS 212 N 0.00 0.00 0.00 7.34 1.79 -1.58 -3.48 116.57 120.65 3k61 h LYS 212 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3k61 h LYS 212 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3k61 h LYS 212 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 3k61 n GLY 213 N 1.19 -1.09 3.69 3.86 0.00 -0.86 -4.99 105.19 106.99 3k61 n GLY 213 Ca 0.03 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3k61 n GLY 213 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k61 s SER 214 N -1.04 7.08 -0.09 1.61 0.01 -1.26 -5.03 113.70 114.98 3k61 s SER 214 Ca 0.00 1.83 0.01 0.00 1.31 0.00 0.00 55.95 59.10 3k61 s SER 214 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 3k61 s SER 214 CO 0.00 -0.54 -0.12 -0.76 0.41 0.00 0.00 173.24 172.23 3k61 s LEU 215 N 1.95 2.82 0.83 2.44 1.43 -1.26 -5.09 118.68 121.80 3k61 s LEU 215 Ca 0.56 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 3k61 s LEU 215 Cb -0.25 -1.61 0.09 0.00 0.03 0.00 0.00 46.19 44.45 3k61 s LEU 215 CO 0.23 0.26 1.17 0.42 0.23 0.00 0.00 176.35 178.66 3k61 s THR 216 N -0.22 2.04 0.23 5.49 -4.23 -1.26 -4.88 115.64 112.80 3k61 s THR 216 Ca 0.01 0.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.47 3k61 s THR 216 Cb -0.13 -2.96 0.18 0.00 1.34 0.00 0.00 72.50 70.93 3k61 s THR 216 CO 0.03 -0.02 1.77 -1.28 -0.54 0.00 0.00 174.62 174.58 3k61 h SER 217 N -1.14 0.41 0.12 3.99 0.87 -2.00 -2.28 113.55 113.52 3k61 h SER 217 Ca -0.47 0.07 -0.21 0.00 -1.23 0.00 0.00 61.79 59.95 3k61 h SER 217 Cb 1.33 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3k61 h SER 217 CO 0.65 0.22 -0.82 0.22 -0.53 0.00 0.00 176.83 176.57 3k61 h TYR 218 N 0.55 0.78 -0.84 2.24 3.20 -1.98 0.02 116.97 120.95 3k61 h TYR 218 Ca 0.36 -0.37 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3k61 h TYR 218 Cb 0.41 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 3k61 h TYR 218 CO -0.12 1.17 0.53 1.96 -1.64 0.00 0.00 178.16 180.06 3k61 h GLN 219 N 0.36 0.99 -0.35 1.82 4.20 -1.89 0.08 115.11 120.33 3k61 h GLN 219 Ca -0.06 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 3k61 h GLN 219 Cb 1.43 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 3k61 h GLN 219 CO 0.15 0.65 0.06 0.87 -0.67 0.00 0.00 178.83 179.90 3k61 h LYS 220 N 1.02 0.57 -0.53 1.46 1.57 -1.14 -1.98 116.57 117.54 3k61 h LYS 220 Ca 0.34 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 59.05 3k61 h LYS 220 Cb 0.05 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 3k61 h LYS 220 CO -0.13 0.64 0.19 0.35 -0.57 0.00 0.00 179.45 179.93 3k61 h PHE 221 N 0.41 0.33 -0.52 -1.35 3.57 -0.43 0.74 116.94 119.69 3k61 h PHE 221 Ca 0.11 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 3k61 h PHE 221 Cb 0.34 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3k61 h PHE 221 CO 0.02 0.10 0.03 1.96 -2.23 0.00 0.00 178.31 178.19 3k61 h GLN 222 N 0.37 0.90 -0.45 1.11 4.20 -0.86 -1.70 115.11 118.67 3k61 h GLN 222 Ca 0.26 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3k61 h GLN 222 Cb 0.29 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3k61 h GLN 222 CO -0.26 0.91 0.18 -0.07 -0.67 0.00 0.00 178.83 178.91 3k61 h LEU 223 N 0.77 0.62 -0.71 1.46 3.38 -0.90 0.81 115.31 120.74 3k61 h LEU 223 Ca 0.15 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3k61 h LEU 223 Cb 0.49 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3k61 h LEU 223 CO 0.02 0.62 0.38 -0.26 0.09 0.00 0.00 178.44 179.29 3k61 h PHE 224 N 0.58 0.69 -0.16 1.13 0.04 -0.71 0.06 116.94 118.57 3k61 h PHE 224 Ca 0.15 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.84 3k61 h PHE 224 Cb 0.19 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3k61 h PHE 224 CO 0.00 0.29 -0.32 0.93 -0.60 0.00 0.00 178.31 178.62 3k61 h GLU 225 N 0.67 0.50 0.08 1.51 4.39 -0.79 -0.53 114.58 120.42 3k61 h GLU 225 Ca 0.34 -0.32 -0.28 0.00 0.34 0.00 0.00 59.36 59.44 3k61 h GLU 225 Cb 0.29 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3k61 h GLU 225 CO -0.23 0.93 -1.38 1.96 -1.16 0.00 0.00 179.01 179.14 3k61 h GLN 226 N 0.14 0.17 0.06 2.33 4.20 -0.71 -2.92 115.11 118.37 3k61 h GLN 226 Ca 0.01 -0.30 -0.37 0.00 0.06 0.00 0.00 58.65 58.05 3k61 h GLN 226 Cb 0.91 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 3k61 h GLN 226 CO 0.07 1.05 -2.11 0.28 -0.67 0.00 0.00 178.83 177.45 3k61 n VAL 227 N -3.40 1.63 -1.49 -0.54 0.31 -0.01 -4.61 118.33 110.22 3k61 n VAL 227 Ca -0.11 -0.52 0.06 0.00 -0.01 0.00 0.00 64.34 63.76 3k61 n VAL 227 Cb 1.02 -1.69 0.09 0.00 -0.91 0.00 0.00 33.84 32.34 3k61 n VAL 227 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3k61 n ILE 228 N -3.62 1.15 -0.09 2.52 -5.35 -1.02 -4.17 119.36 108.77 3k61 n ILE 228 Ca -0.39 -1.44 -0.12 0.00 -0.27 0.00 0.00 62.75 60.53 3k61 n ILE 228 Cb 0.97 0.08 -0.15 0.00 -1.74 0.00 0.00 39.64 38.79 3k61 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k61 n GLY 229 N -0.83 -0.88 3.26 3.28 0.00 -0.24 -4.75 105.19 105.04 3k61 n GLY 229 Ca 0.10 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3k61 n GLY 229 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k61 s ARG 230 N -2.51 3.00 0.23 1.61 1.70 -1.24 -5.02 118.95 116.72 3k61 s ARG 230 Ca -0.14 -0.85 -0.07 0.00 -0.47 0.00 0.00 55.73 54.19 3k61 s ARG 230 Cb 0.07 -2.32 0.38 0.00 -0.57 0.00 0.00 34.95 32.50 3k61 s ARG 230 CO 0.79 0.23 1.70 -0.22 -1.08 0.00 0.00 175.30 176.72 3k61 h LYS 231 N 6.56 0.27 -0.23 3.89 3.64 -1.97 -0.93 116.57 127.80 3k61 h LYS 231 Ca -0.23 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 3k61 h LYS 231 Cb 1.22 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3k61 h LYS 231 CO 0.48 0.18 -0.09 0.38 -2.27 0.00 0.00 179.45 178.13 3k61 h ASP 232 N 0.28 0.48 -0.16 4.20 -0.00 -1.98 -0.67 116.42 118.57 3k61 h ASP 232 Ca 0.37 -0.40 -0.12 0.00 -0.00 0.00 0.00 57.03 56.88 3k61 h ASP 232 Cb 0.58 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.77 3k61 h ASP 232 CO -0.45 0.77 -0.32 0.44 -0.00 0.00 0.00 179.24 179.68 3k61 h ASP 233 N 0.19 0.68 -0.44 4.15 3.32 -1.85 0.12 116.42 122.60 3k61 h ASP 233 Ca 0.05 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 3k61 h ASP 233 Cb 0.58 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3k61 h ASP 233 CO 0.03 0.96 0.19 0.15 -1.72 0.00 0.00 179.24 178.85 3k61 h PHE 234 N 0.56 0.64 -0.45 4.55 3.57 -1.10 -0.03 116.94 124.69 3k61 h PHE 234 Ca 0.06 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 3k61 h PHE 234 Cb 0.82 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3k61 h PHE 234 CO 0.04 0.54 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.44 3k61 h LEU 235 N 0.56 0.84 -0.47 0.59 3.38 -0.92 -0.38 115.31 118.91 3k61 h LEU 235 Ca 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3k61 h LEU 235 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3k61 h LEU 235 CO -0.02 0.99 0.17 0.50 0.09 0.00 0.00 178.44 180.18 3k61 h LYS 236 N 0.75 0.71 -0.12 1.13 3.11 -0.48 -2.34 116.57 119.33 3k61 h LYS 236 Ca 0.12 -0.14 -0.21 0.00 -2.81 0.00 0.00 60.65 57.61 3k61 h LYS 236 Cb 0.65 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 31.79 3k61 h LYS 236 CO 0.05 0.66 -0.75 -0.07 -2.81 0.00 0.00 179.45 176.52 3k61 h LEU 237 N 0.62 0.87 -1.40 5.20 3.38 -0.92 -3.06 115.31 119.99 3k61 h LEU 237 Ca 0.15 -0.65 0.05 0.00 0.09 0.00 0.00 57.88 57.52 3k61 h LEU 237 Cb 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3k61 h LEU 237 CO -0.01 1.38 0.45 0.28 0.09 0.00 0.00 178.44 180.63 3k61 h SER 238 N 0.42 0.66 -0.25 -0.43 0.02 -1.01 -0.83 113.55 112.12 3k61 h SER 238 Ca -0.06 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3k61 h SER 238 Cb 1.39 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3k61 h SER 238 CO 0.15 0.44 0.00 0.35 -1.14 0.00 0.00 176.83 176.64 3k61 n THR 239 N -4.47 0.33 -3.73 -2.27 -2.24 -0.89 -2.18 114.28 98.83 3k61 n THR 239 Ca 0.09 -0.43 -0.37 0.00 -2.27 0.00 0.00 64.05 61.07 3k61 n THR 239 Cb 0.17 0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 3k61 n THR 239 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3k61 s ASN 240 N -1.40 6.55 0.30 3.42 3.84 -0.60 -4.78 114.94 122.28 3k61 s ASN 240 Ca 0.31 0.66 0.03 0.00 0.21 0.00 0.00 52.86 54.07 3k61 s ASN 240 Cb 0.17 -2.14 0.62 0.00 -0.55 0.00 0.00 41.25 39.35 3k61 s ASN 240 CO 0.24 0.37 1.84 -0.29 -2.79 0.00 0.00 177.10 176.48 3k61 h ILE 241 N 3.82 0.90 0.04 -5.21 2.10 -1.90 -2.13 117.51 115.12 3k61 h ILE 241 Ca -0.53 -0.31 -0.36 0.00 1.08 0.00 0.00 64.86 64.73 3k61 h ILE 241 Cb 1.22 -0.10 -0.05 0.00 -1.09 0.00 0.00 36.82 36.81 3k61 h ILE 241 CO 0.60 0.17 -2.07 0.49 -1.08 0.00 0.00 178.15 176.26 3k61 n PHE 242 N -4.61 0.63 0.10 2.19 3.72 -1.26 -4.56 117.46 113.67 3k61 n PHE 242 Ca 0.19 0.18 0.06 0.00 -0.05 0.00 0.00 57.45 57.83 3k61 n PHE 242 Cb 0.38 -1.08 0.52 0.00 -0.94 0.00 0.00 39.48 38.37 3k61 n PHE 242 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3k61 h GLY 243 N 0.43 0.34 2.00 1.37 0.00 -1.43 -2.71 103.07 103.06 3k61 h GLY 243 Ca -0.50 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 3k61 h GLY 243 CO -0.13 0.12 -0.02 3.45 0.00 0.00 0.00 176.54 179.96 3k61 h ASN 244 N 0.32 0.00 -0.18 0.19 7.08 -0.50 -0.98 115.58 121.51 3k61 h ASN 244 Ca 0.10 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.26 3k61 h ASN 244 Cb 0.01 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.25 3k61 h ASN 244 CO -0.02 0.02 -0.13 1.88 -2.08 0.00 0.00 177.43 177.10 3k61 h TYR 245 N 0.00 0.47 -0.65 4.14 0.05 -1.76 -2.30 116.97 116.92 3k61 h TYR 245 Ca -0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 3k61 h TYR 245 Cb 0.05 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3k61 h TYR 245 CO 0.00 0.74 0.39 1.25 -1.05 0.00 0.00 178.16 179.49 3k61 h LEU 246 N 0.07 0.79 -0.57 3.88 5.85 -1.39 -1.22 115.31 122.72 3k61 h LEU 246 Ca 0.04 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3k61 h LEU 246 Cb 0.64 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3k61 h LEU 246 CO 0.03 0.63 0.25 0.58 -0.34 0.00 0.00 178.44 179.59 3k61 h VAL 247 N 0.89 0.86 -0.68 1.05 2.07 -1.18 -0.26 116.25 118.99 3k61 h VAL 247 Ca 0.23 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 3k61 h VAL 247 Cb -0.01 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3k61 h VAL 247 CO -0.04 0.08 0.23 1.56 0.02 0.00 0.00 177.57 179.43 3k61 h GLN 248 N 0.46 1.04 -0.66 1.57 4.20 -0.91 -0.83 115.11 119.98 3k61 h GLN 248 Ca 0.27 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 3k61 h GLN 248 Cb 0.27 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3k61 h GLN 248 CO -0.24 0.89 0.11 0.77 -0.67 0.00 0.00 178.83 179.69 3k61 h SER 249 N 0.98 1.03 0.39 1.46 0.02 -0.72 -1.79 113.55 114.93 3k61 h SER 249 Ca 0.22 -0.24 -0.18 0.00 -0.84 0.00 0.00 61.79 60.75 3k61 h SER 249 Cb 0.27 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3k61 h SER 249 CO -0.01 1.02 -0.74 0.58 -1.14 0.00 0.00 176.83 176.54 3k61 h VAL 250 N 1.01 1.42 -0.41 2.27 2.07 -0.80 -1.13 116.25 120.67 3k61 h VAL 250 Ca 0.20 -2.24 0.01 0.00 0.82 0.00 0.00 66.70 65.50 3k61 h VAL 250 Cb 0.43 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3k61 h VAL 250 CO 0.01 0.66 0.26 0.40 0.02 0.00 0.00 177.57 178.92 3k61 h ILE 251 N 0.19 1.07 -0.95 4.57 2.04 -1.07 0.91 117.51 124.27 3k61 h ILE 251 Ca -0.03 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3k61 h ILE 251 Cb 1.31 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 3k61 h ILE 251 CO 0.12 0.10 0.62 1.23 0.00 0.00 0.00 178.15 180.22 3k61 h GLY 252 N 0.52 1.37 1.34 5.37 0.00 -0.94 -1.20 103.07 109.53 3k61 h GLY 252 Ca 0.16 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 3k61 h GLY 252 CO -0.06 0.43 -0.55 -2.22 0.00 0.00 0.00 176.54 174.14 3k61 h ILE 253 N 1.23 1.30 -0.41 2.60 2.04 -0.83 -2.20 117.51 121.24 3k61 h ILE 253 Ca 0.37 -1.77 0.01 0.00 1.00 0.00 0.00 64.86 64.47 3k61 h ILE 253 Cb -0.04 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3k61 h ILE 253 CO -0.11 0.56 0.26 -1.28 0.00 0.00 0.00 178.15 177.58 3k61 h SER 254 N 0.54 0.43 0.37 1.72 0.87 -0.35 -2.15 113.55 114.97 3k61 h SER 254 Ca 0.01 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3k61 h SER 254 Cb 1.12 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 3k61 h SER 254 CO 0.11 0.31 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.34 3k61 h LEU 255 N 0.52 0.00 -0.14 2.23 3.38 -1.14 -2.62 115.31 117.54 3k61 h LEU 255 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3k61 h LEU 255 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3k61 h LEU 255 CO -0.05 0.31 -0.15 0.00 0.09 0.00 0.00 178.44 178.63 3k61 n ALA 256 N -2.44 2.80 -3.56 1.53 0.00 -0.84 -4.64 120.51 113.37 3k61 n ALA 256 Ca -0.02 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 3k61 n ALA 256 Cb 0.36 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 3k61 n ALA 256 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3k61 s THR 257 N -2.68 4.48 -0.33 0.00 2.01 -0.85 -4.95 115.64 113.33 3k61 s THR 257 Ca 0.23 -2.77 -0.06 0.00 0.31 0.00 0.00 61.69 59.41 3k61 s THR 257 Cb 0.19 -3.85 -0.13 0.00 0.01 0.00 0.00 72.50 68.73 3k61 s THR 257 CO 0.53 -0.94 3.25 -3.20 -0.69 0.00 0.00 174.62 173.56 3k61 n ASN 258 N 3.68 6.03 -2.14 3.53 5.15 -1.26 -4.64 115.26 125.60 3k61 n ASN 258 Ca 0.10 -2.75 -0.02 0.00 -0.60 0.00 0.00 54.58 51.31 3k61 n ASN 258 Cb 0.41 -1.37 0.01 0.00 -0.53 0.00 0.00 39.78 38.31 3k61 n ASN 258 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3k61 n ASP 259 N 2.02 0.04 0.18 1.20 5.75 -1.26 -4.96 116.55 119.52 3k61 n ASP 259 Ca 0.48 -1.05 0.04 0.00 -0.01 0.00 0.00 54.79 54.26 3k61 n ASP 259 Cb 0.72 -0.06 0.33 0.00 -1.03 0.00 0.00 41.12 41.09 3k61 n ASP 259 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 3k61 h ASP 260 N -0.08 0.00 -0.20 -1.12 3.58 -2.04 -2.85 116.42 113.71 3k61 h ASP 260 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3k61 h ASP 260 Cb 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 3k61 h ASP 260 CO 0.02 0.41 0.00 0.61 -2.88 0.00 0.00 179.24 177.40 3k61 n GLY 261 N 0.08 0.04 0.19 -0.78 0.00 -1.26 -4.38 105.19 99.07 3k61 n GLY 261 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 3k61 n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3k61 h TYR 262 N 1.43 -0.38 -0.00 1.61 3.20 -1.76 -2.23 116.97 118.83 3k61 h TYR 262 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3k61 h TYR 262 Cb 0.32 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 3k61 h TYR 262 CO 0.13 -0.22 -0.02 1.15 -1.64 0.00 0.00 178.16 177.56 3k61 h THR 263 N -0.31 0.95 -0.74 1.81 2.02 -1.84 -1.82 112.91 112.98 3k61 h THR 263 Ca 0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.23 3k61 h THR 263 Cb 0.31 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3k61 h THR 263 CO -0.05 0.00 0.49 0.11 0.37 0.00 0.00 175.52 176.44 3k61 h LYS 264 N -0.03 0.84 -0.23 6.66 1.57 -1.84 0.68 116.57 124.22 3k61 h LYS 264 Ca 0.01 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3k61 h LYS 264 Cb 0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3k61 h LYS 264 CO -0.02 0.56 -0.02 0.00 -0.57 0.00 0.00 179.45 179.40 3k61 h ARG 265 N 0.86 0.41 -0.16 3.15 3.08 -1.00 -1.48 114.38 119.24 3k61 h ARG 265 Ca 0.30 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 3k61 h ARG 265 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3k61 h ARG 265 CO -0.09 0.61 -0.57 0.37 -1.07 0.00 0.00 179.97 179.22 3k61 h GLN 266 N 0.16 0.49 -0.31 0.04 4.15 -0.84 -0.62 115.11 118.18 3k61 h GLN 266 Ca 0.06 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.13 3k61 h GLN 266 Cb 0.44 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3k61 h GLN 266 CO 0.02 0.92 0.06 1.49 -1.93 0.00 0.00 178.83 179.39 3k61 h GLU 267 N 0.37 0.51 -0.21 1.69 4.57 -0.89 -1.24 114.58 119.38 3k61 h GLU 267 Ca 0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3k61 h GLU 267 Cb 1.10 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 3k61 h GLU 267 CO 0.10 0.59 0.13 -0.22 -1.18 0.00 0.00 179.01 178.43 3k61 h LYS 268 N 0.34 0.28 -0.81 1.92 3.64 -1.09 -0.72 116.57 120.14 3k61 h LYS 268 Ca 0.10 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3k61 h LYS 268 Cb 0.32 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 3k61 h LYS 268 CO 0.00 0.21 0.52 1.25 -2.27 0.00 0.00 179.45 179.17 3k61 h LEU 269 N 0.27 0.88 -0.78 5.20 5.85 -0.97 0.45 115.31 126.21 3k61 h LEU 269 Ca 0.08 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3k61 h LEU 269 Cb -0.00 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3k61 h LEU 269 CO -0.02 0.62 0.44 0.50 -0.34 0.00 0.00 178.44 179.63 3k61 h LYS 270 N 1.03 1.08 -0.54 1.25 3.11 -0.84 -2.32 116.57 119.35 3k61 h LYS 270 Ca 0.31 -0.12 -0.10 0.00 -2.81 0.00 0.00 60.65 57.94 3k61 h LYS 270 Cb -0.03 -0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 30.96 3k61 h LYS 270 CO -0.10 0.79 -0.05 -0.91 -2.81 0.00 0.00 179.45 176.38 3k61 h ASN 271 N 1.08 0.94 0.41 4.20 2.35 -0.23 -0.09 115.58 124.24 3k61 h ASN 271 Ca 0.28 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3k61 h ASN 271 Cb 0.02 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.14 3k61 h ASN 271 CO -0.05 1.02 -0.20 -0.26 -1.65 0.00 0.00 177.43 176.30 3k61 h PHE 272 N 0.87 -0.51 -0.22 1.19 0.04 -0.70 -2.36 116.94 115.24 3k61 h PHE 272 Ca 0.15 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 3k61 h PHE 272 Cb 0.58 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 3k61 h PHE 272 CO 0.04 -0.26 -0.13 0.82 -0.60 0.00 0.00 178.31 178.18 3k61 h ILE 273 N -0.65 1.31 -0.83 -0.55 2.04 -1.46 -2.96 117.51 114.41 3k61 h ILE 273 Ca -0.06 -1.22 0.21 0.00 1.00 0.00 0.00 64.86 64.80 3k61 h ILE 273 Cb 0.48 1.63 -0.13 0.00 -0.74 0.00 0.00 36.82 38.06 3k61 h ILE 273 CO 0.09 0.37 0.21 -1.28 0.00 0.00 0.00 178.15 177.54 3k61 h SER 274 N 0.18 -0.01 1.25 1.72 0.87 -1.04 -0.25 113.55 116.26 3k61 h SER 274 Ca 0.05 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3k61 h SER 274 Cb 0.63 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 3k61 h SER 274 CO 0.04 -0.12 0.00 0.77 -0.53 0.00 0.00 176.83 176.99 3k61 h SER 275 N 0.23 0.00 0.00 6.23 4.64 -1.25 -3.10 113.55 120.29 3k61 h SER 275 Ca 0.50 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.78 3k61 h SER 275 Cb 0.97 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.95 3k61 h SER 275 CO -0.61 0.00 -0.54 0.00 -0.87 0.00 0.00 176.83 174.80 3k61 n GLN 276 N -2.31 0.89 -0.10 4.77 1.13 -0.47 -4.95 117.38 116.34 3k61 n GLN 276 Ca 0.04 -2.50 -0.08 0.00 -1.94 0.00 0.00 57.00 52.52 3k61 n GLN 276 Cb 0.37 -1.02 -0.06 0.00 0.11 0.00 0.00 30.24 29.64 3k61 n GLN 276 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 3k61 h MET 277 N 0.66 -0.20 -0.59 -1.09 4.05 -1.02 -1.00 114.93 115.74 3k61 h MET 277 Ca -0.06 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.43 3k61 h MET 277 Cb 1.29 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 32.09 3k61 h MET 277 CO 0.03 -0.13 0.31 1.15 0.23 0.00 0.00 176.91 178.49 3k61 h THR 278 N -0.21 0.95 -0.27 -0.77 2.02 -1.88 -0.01 112.91 112.74 3k61 h THR 278 Ca 0.05 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3k61 h THR 278 Cb 0.34 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3k61 h THR 278 CO -0.38 0.11 -0.11 0.44 0.37 0.00 0.00 175.52 175.95 3k61 h ASP 279 N 0.58 0.43 0.44 4.18 3.45 -1.87 -1.64 116.42 121.99 3k61 h ASP 279 Ca 0.26 -0.10 -0.22 0.00 0.43 0.00 0.00 57.03 57.40 3k61 h ASP 279 Cb 0.17 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3k61 h ASP 279 CO -0.18 0.57 -0.96 0.24 -1.57 0.00 0.00 179.24 177.35 3k61 h MET 280 N 0.42 0.33 -0.44 3.56 2.86 -0.10 -2.92 114.93 118.64 3k61 h MET 280 Ca 0.08 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 3k61 h MET 280 Cb 0.44 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 3k61 h MET 280 CO 0.02 1.08 0.21 0.00 1.06 0.00 0.00 176.91 179.28 3k61 n LEU 282 N -4.66 0.03 -4.74 0.00 4.77 -0.65 -3.82 117.00 107.94 3k61 n LEU 282 Ca 0.01 0.50 -0.40 0.00 -0.03 0.00 0.00 56.01 56.09 3k61 n LEU 282 Cb 0.11 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 3k61 n LEU 282 CO 0.37 -0.11 0.56 -0.62 -1.33 0.00 0.00 177.39 176.26 3k61 s ASP 283 N -3.06 7.35 0.43 -1.43 -1.08 -1.06 -4.84 116.67 112.98 3k61 s ASP 283 Ca 0.11 1.61 0.11 0.00 -0.52 0.00 0.00 52.55 53.86 3k61 s ASP 283 Cb 0.15 -2.52 0.97 0.00 -1.46 0.00 0.00 42.92 40.06 3k61 s ASP 283 CO 0.43 -0.02 2.02 0.50 0.52 0.00 0.00 175.17 178.62 3k61 h LYS 284 N 5.60 0.44 0.00 4.34 3.64 -1.86 -2.34 116.57 126.39 3k61 h LYS 284 Ca -0.43 -0.03 -0.39 0.00 -1.27 0.00 0.00 60.65 58.53 3k61 h LYS 284 Cb 1.21 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 3k61 h LYS 284 CO 0.71 0.29 -2.44 1.19 -2.27 0.00 0.00 179.45 176.93 3k61 n PHE 285 N -4.48 0.05 0.14 1.91 3.72 -1.26 -4.41 117.46 113.13 3k61 n PHE 285 Ca 0.06 0.01 -0.00 0.00 -0.05 0.00 0.00 57.45 57.47 3k61 n PHE 285 Cb 0.22 -1.01 0.28 0.00 -0.94 0.00 0.00 39.48 38.03 3k61 n PHE 285 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k61 h ALA 286 N 0.16 1.22 0.00 4.37 0.00 -1.43 -2.39 119.26 121.18 3k61 h ALA 286 Ca -0.57 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 3k61 h ALA 286 Cb 1.96 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 3k61 h ALA 286 CO -0.06 0.55 -0.05 0.00 0.00 0.00 0.00 179.25 179.69 3k61 h ARG 288 N 0.00 0.83 -0.49 0.00 2.47 -1.64 -1.19 114.38 114.36 3k61 h ARG 288 Ca -0.00 -0.39 -0.04 0.00 -1.26 0.00 0.00 59.98 58.30 3k61 h ARG 288 Cb 0.10 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 3k61 h ARG 288 CO 0.01 1.02 0.16 0.28 0.56 0.00 0.00 179.97 182.00 3k61 h VAL 289 N 0.70 1.22 -0.55 2.04 2.07 -1.00 -2.19 116.25 118.54 3k61 h VAL 289 Ca 0.08 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.92 3k61 h VAL 289 Cb 0.86 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 3k61 h VAL 289 CO 0.08 0.27 0.29 0.40 0.02 0.00 0.00 177.57 178.62 3k61 h ILE 290 N 0.65 0.95 -0.37 4.57 2.04 -1.00 -2.14 117.51 122.21 3k61 h ILE 290 Ca 0.16 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3k61 h ILE 290 Cb 0.25 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3k61 h ILE 290 CO -0.01 0.10 0.07 1.56 0.00 0.00 0.00 178.15 179.87 3k61 h GLN 291 N 0.55 0.61 0.00 2.37 4.20 -0.95 -1.09 115.11 120.80 3k61 h GLN 291 Ca 0.25 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 3k61 h GLN 291 Cb 0.16 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3k61 h GLN 291 CO -0.17 0.67 -0.48 0.66 -0.67 0.00 0.00 178.83 178.84 3k61 h SER 292 N 0.46 0.00 -0.16 1.46 4.64 -1.34 -2.90 113.55 115.72 3k61 h SER 292 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3k61 h SER 292 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3k61 h SER 292 CO 0.01 0.48 0.03 0.28 -0.87 0.00 0.00 176.83 176.76 3k61 h SER 293 N 0.00 0.25 -0.71 4.97 0.02 -1.10 -1.27 113.55 115.72 3k61 h SER 293 Ca -0.00 -0.24 0.13 0.00 -0.84 0.00 0.00 61.79 60.83 3k61 h SER 293 Cb 0.97 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 63.35 3k61 h SER 293 CO 0.06 0.42 0.26 -0.07 -1.14 0.00 0.00 176.83 176.36 3k61 h LEU 294 N 0.06 0.22 0.00 5.07 3.38 -1.09 -0.25 115.31 122.70 3k61 h LEU 294 Ca 0.05 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3k61 h LEU 294 Cb 0.28 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3k61 h LEU 294 CO 0.00 0.09 -0.74 0.06 0.09 0.00 0.00 178.44 177.95 3k61 h GLN 295 N 0.40 0.00 0.00 1.13 3.07 -1.41 -3.39 115.11 114.91 3k61 h GLN 295 Ca 0.38 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.77 3k61 h GLN 295 Cb 0.56 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.05 3k61 h GLN 295 CO -0.39 0.05 -2.33 0.09 0.09 0.00 0.00 178.83 176.34 3k61 n ASN 296 N -2.84 1.17 -4.71 0.06 3.02 -0.49 -4.98 115.26 106.49 3k61 n ASN 296 Ca 0.00 -0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 54.16 3k61 n ASN 296 Cb 0.58 0.35 0.12 0.00 -0.61 0.00 0.00 39.78 40.22 3k61 n ASN 296 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3k61 s MET 297 N -2.47 1.81 0.33 3.52 -1.94 -0.12 -4.91 119.30 115.52 3k61 s MET 297 Ca -0.20 1.67 -0.26 0.00 -1.71 0.00 0.00 55.69 55.19 3k61 s MET 297 Cb 0.07 -1.80 -0.13 0.00 2.01 0.00 0.00 34.83 34.97 3k61 s MET 297 CO 0.67 -2.07 0.90 -0.25 -0.01 0.00 0.00 175.02 174.26 3k61 n ASP 298 N -3.22 0.77 -0.34 3.03 8.00 -1.26 -4.68 116.55 118.84 3k61 n ASP 298 Ca 0.13 1.10 0.02 0.00 0.71 0.00 0.00 54.79 56.76 3k61 n ASP 298 Cb 0.51 -1.25 0.17 0.00 -0.02 0.00 0.00 41.12 40.53 3k61 n ASP 298 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3k61 h LEU 299 N 1.63 0.94 -1.47 0.64 5.85 -1.93 -1.06 115.31 119.92 3k61 h LEU 299 Ca -0.40 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3k61 h LEU 299 Cb 1.36 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3k61 h LEU 299 CO 0.58 0.58 0.07 0.77 -0.34 0.00 0.00 178.44 180.11 3k61 h SER 300 N 1.07 0.38 0.36 1.25 4.64 -2.00 0.49 113.55 119.74 3k61 h SER 300 Ca 0.42 -0.04 -0.32 0.00 -0.47 0.00 0.00 61.79 61.37 3k61 h SER 300 Cb 0.21 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3k61 h SER 300 CO -0.19 0.39 -1.49 -0.07 -0.87 0.00 0.00 176.83 174.61 3k61 h LEU 301 N 0.42 0.64 -1.14 5.97 -0.00 -1.72 -3.23 115.31 116.25 3k61 h LEU 301 Ca 0.10 -0.75 0.03 0.00 -0.00 0.00 0.00 57.88 57.26 3k61 h LEU 301 Cb 0.17 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 40.57 3k61 h LEU 301 CO -0.00 1.60 0.58 0.00 -0.00 0.00 0.00 178.44 180.62 3k61 h ALA 302 N 0.30 1.43 -0.84 1.53 0.00 -0.90 -2.00 119.26 118.77 3k61 h ALA 302 Ca -0.24 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.66 3k61 h ALA 302 Cb 2.09 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 3k61 h ALA 302 CO 0.22 0.49 0.55 0.00 0.00 0.00 0.00 179.25 180.52 3k61 h LYS 304 N 1.01 0.21 -0.67 0.00 1.57 -1.38 -2.33 116.57 114.97 3k61 h LYS 304 Ca 0.34 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3k61 h LYS 304 Cb 0.08 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3k61 h LYS 304 CO -0.11 0.49 0.28 -0.07 -0.57 0.00 0.00 179.45 179.48 3k61 h LEU 305 N 0.19 0.89 -1.07 2.94 3.38 -1.03 -2.75 115.31 117.86 3k61 h LEU 305 Ca 0.03 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3k61 h LEU 305 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3k61 h LEU 305 CO 0.05 0.79 -0.15 0.58 0.09 0.00 0.00 178.44 179.79 3k61 h VAL 306 N 0.96 1.24 0.00 1.22 2.07 -1.08 -2.53 116.25 118.13 3k61 h VAL 306 Ca 0.23 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3k61 h VAL 306 Cb 0.17 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3k61 h VAL 306 CO -0.02 0.35 -0.11 1.56 0.02 0.00 0.00 177.57 179.36 3k61 h GLN 307 N 0.45 0.00 0.00 1.57 1.08 -1.18 -2.40 115.11 114.63 3k61 h GLN 307 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3k61 h GLN 307 Cb 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 3k61 h GLN 307 CO 0.03 0.11 0.00 0.00 -0.95 0.00 0.00 178.83 178.02 3k61 n ALA 308 N -2.21 2.25 -1.78 3.87 0.00 -0.95 -4.84 120.51 116.85 3k61 n ALA 308 Ca -0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 3k61 n ALA 308 Cb 0.28 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3k61 n ALA 308 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k61 s LEU 309 N -2.80 4.30 0.69 0.00 1.43 -0.91 -4.75 118.68 116.64 3k61 s LEU 309 Ca 0.18 3.05 -0.15 0.00 -1.03 0.00 0.00 54.13 56.18 3k61 s LEU 309 Cb 0.17 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.72 3k61 s LEU 309 CO 0.44 -0.91 1.15 -2.16 0.23 0.00 0.00 176.35 175.10 3k61 s PRO 310 N -2.13 2.53 -0.10 1.29 0.04 -1.26 -4.98 135.00 130.38 3k61 s PRO 310 Ca 0.53 1.53 0.15 0.00 0.04 0.00 0.00 61.00 63.25 3k61 s PRO 310 Cb -0.46 -1.90 0.25 0.00 0.04 0.00 0.00 34.50 32.43 3k61 s PRO 310 CO 0.63 -1.49 1.15 0.54 0.04 0.00 0.00 177.00 177.87 3k61 n ARG 311 N -2.54 1.85 0.00 4.56 5.12 -1.26 -4.46 116.66 119.93 3k61 n ARG 311 Ca 0.12 -2.36 0.00 0.00 -1.93 0.00 0.00 57.85 53.67 3k61 n ARG 311 Cb 0.51 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 3k61 n ARG 311 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3k61 n ASP 312 N -1.09 0.90 -0.29 0.55 5.68 -1.26 -4.93 116.55 116.11 3k61 n ASP 312 Ca 0.13 0.00 0.27 0.00 -0.50 0.00 0.00 54.79 54.69 3k61 n ASP 312 Cb 0.58 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.17 3k61 n ASP 312 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k61 h ALA 313 N 1.00 2.59 -0.09 2.12 0.00 -2.01 -0.21 119.26 122.66 3k61 h ALA 313 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3k61 h ALA 313 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k61 h ALA 313 CO 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 179.25 178.37 3k61 h ARG 314 N 0.22 0.00 -0.29 0.00 3.08 -1.94 -1.70 114.38 113.75 3k61 h ARG 314 Ca 0.55 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.45 3k61 h ARG 314 Cb 1.73 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.78 3k61 h ARG 314 CO -0.16 0.00 -0.43 1.25 -1.07 0.00 0.00 179.97 179.56 3k61 h LEU 315 N 0.00 0.78 -0.62 3.04 5.85 -1.24 -1.98 115.31 121.14 3k61 h LEU 315 Ca 0.04 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 3k61 h LEU 315 Cb 0.17 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3k61 h LEU 315 CO -0.00 1.11 0.22 0.40 -0.34 0.00 0.00 178.44 179.83 3k61 h ILE 316 N 0.59 1.24 -0.96 4.05 2.04 -1.43 -1.46 117.51 121.59 3k61 h ILE 316 Ca 0.04 -0.78 0.12 0.00 1.00 0.00 0.00 64.86 65.24 3k61 h ILE 316 Cb 0.99 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 3k61 h ILE 316 CO 0.09 0.30 0.61 0.00 0.00 0.00 0.00 178.15 179.15 3k61 h ALA 317 N 1.08 1.61 -0.16 1.87 0.00 -1.08 -1.47 119.26 121.11 3k61 h ALA 317 Ca 0.20 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3k61 h ALA 317 Cb 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3k61 h ALA 317 CO -0.01 0.16 -0.39 0.82 0.00 0.00 0.00 179.25 179.84 3k61 h ILE 318 N 0.92 1.35 -0.17 0.00 2.04 -0.87 -2.68 117.51 118.09 3k61 h ILE 318 Ca 0.47 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 3k61 h ILE 318 Cb 0.51 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3k61 h ILE 318 CO -0.23 0.50 0.03 0.00 0.00 0.00 0.00 178.15 178.45 3k61 n VAL 320 N -4.42 0.00 -2.71 0.00 0.24 -0.61 -2.69 118.33 108.14 3k61 n VAL 320 Ca -0.00 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.34 61.68 3k61 n VAL 320 Cb 0.15 0.92 -0.05 0.00 -1.47 0.00 0.00 33.84 33.39 3k61 n VAL 320 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3k61 s ASP 321 N -2.48 7.55 0.51 -1.34 2.15 -1.01 -4.64 116.67 117.40 3k61 s ASP 321 Ca 0.21 1.92 0.18 0.00 0.43 0.00 0.00 52.55 55.29 3k61 s ASP 321 Cb 0.19 -2.60 1.27 0.00 -0.30 0.00 0.00 42.92 41.47 3k61 s ASP 321 CO 0.55 0.03 2.12 -0.61 -0.17 0.00 0.00 175.17 177.09 3k61 h GLN 322 N 4.70 0.00 0.01 4.34 4.15 -1.90 -2.31 115.11 124.10 3k61 h GLN 322 Ca -0.44 0.00 -0.40 0.00 0.77 0.00 0.00 58.65 58.57 3k61 h GLN 322 Cb 1.21 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.84 3k61 h GLN 322 CO 0.70 0.06 -2.24 0.09 -1.93 0.00 0.00 178.83 175.50 3k61 n ASN 323 N -4.36 1.95 0.16 -0.69 3.02 -1.26 -4.58 115.26 109.50 3k61 n ASN 323 Ca -0.03 0.29 0.04 0.00 -0.03 0.00 0.00 54.58 54.85 3k61 n ASN 323 Cb 0.14 -0.80 0.46 0.00 -0.61 0.00 0.00 39.78 38.97 3k61 n ASN 323 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k61 h ALA 324 N -0.71 1.65 -0.26 5.41 0.00 -1.65 -2.57 119.26 121.13 3k61 h ALA 324 Ca -0.60 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.24 3k61 h ALA 324 Cb 1.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3k61 h ALA 324 CO -0.31 0.26 0.20 -2.95 0.00 0.00 0.00 179.25 176.45 3k61 h ASN 325 N 0.15 0.00 0.76 0.00 -1.07 -0.67 -0.45 115.58 114.30 3k61 h ASN 325 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.40 3k61 h ASN 325 Cb 0.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 3k61 h ASN 325 CO 0.02 0.00 0.00 0.45 0.07 0.00 0.00 177.43 177.97 3k61 h HIS 326 N 0.00 0.00 -0.25 4.14 3.86 -1.73 -1.92 115.15 119.25 3k61 h HIS 326 Ca 0.13 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3k61 h HIS 326 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 3k61 h HIS 326 CO 0.00 0.00 -0.01 0.28 0.86 0.00 0.00 177.93 179.06 3k61 h VAL 327 N 0.00 1.26 -0.72 2.45 2.07 -1.25 -1.11 116.25 118.95 3k61 h VAL 327 Ca 0.00 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 3k61 h VAL 327 Cb 0.38 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3k61 h VAL 327 CO 0.00 0.29 0.28 0.40 0.02 0.00 0.00 177.57 178.57 3k61 h ILE 328 N 0.22 1.25 -0.66 4.57 1.08 -1.46 -0.20 117.51 122.32 3k61 h ILE 328 Ca 0.07 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 3k61 h ILE 328 Cb 0.44 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 3k61 h ILE 328 CO 0.02 0.32 0.29 1.56 -0.69 0.00 0.00 178.15 179.65 3k61 h GLN 329 N 1.04 0.95 -0.48 2.37 4.20 -1.36 -1.84 115.11 119.99 3k61 h GLN 329 Ca 0.24 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 3k61 h GLN 329 Cb 0.22 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3k61 h GLN 329 CO -0.02 0.75 -0.13 -0.22 -0.67 0.00 0.00 178.83 178.54 3k61 h LYS 330 N 0.94 0.93 -0.24 1.46 1.63 -0.53 -1.68 116.57 119.09 3k61 h LYS 330 Ca 0.23 -0.37 0.05 0.00 -0.85 0.00 0.00 60.65 59.71 3k61 h LYS 330 Cb 0.14 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 3k61 h LYS 330 CO -0.03 1.03 -0.04 0.28 -3.45 0.00 0.00 179.45 177.24 3k61 h VAL 331 N 0.78 0.78 -0.64 2.00 2.07 -0.77 -0.89 116.25 119.58 3k61 h VAL 331 Ca 0.12 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.64 3k61 h VAL 331 Cb 0.69 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3k61 h VAL 331 CO 0.05 0.00 0.42 0.58 0.02 0.00 0.00 177.57 178.65 3k61 h VAL 332 N 0.02 1.15 -0.17 2.57 2.07 -1.22 -0.55 116.25 120.13 3k61 h VAL 332 Ca 0.11 -0.29 -0.21 0.00 0.82 0.00 0.00 66.70 67.13 3k61 h VAL 332 Cb 0.17 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3k61 h VAL 332 CO -0.23 0.16 -0.71 0.00 0.02 0.00 0.00 177.57 176.80 3k61 h ALA 333 N 1.60 0.31 -0.00 1.67 0.00 -0.55 -3.40 119.26 118.90 3k61 h ALA 333 Ca 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3k61 h ALA 333 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3k61 h ALA 333 CO -0.05 0.64 0.00 1.33 0.00 0.00 0.00 179.25 181.17 3k61 n VAL 334 N -3.99 0.01 -4.72 0.00 0.24 -0.41 -5.01 118.33 104.45 3k61 n VAL 334 Ca -0.07 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.39 3k61 n VAL 334 Cb 0.71 1.00 -0.12 0.00 -1.47 0.00 0.00 33.84 33.96 3k61 n VAL 334 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3k61 s ILE 335 N -0.01 3.40 0.43 1.34 -1.09 -0.24 -4.99 121.20 120.04 3k61 s ILE 335 Ca 0.00 -0.63 -0.25 0.00 -2.23 0.00 0.00 60.65 57.54 3k61 s ILE 335 Cb 0.00 -2.38 -0.08 0.00 -1.58 0.00 0.00 42.46 38.42 3k61 s ILE 335 CO 0.00 0.57 1.32 -2.84 -1.23 0.00 0.00 174.94 172.76 3k61 s PRO 336 N -0.86 3.82 0.33 2.79 0.02 -1.26 -4.77 135.00 135.07 3k61 s PRO 336 Ca 0.13 2.19 0.10 0.00 0.02 0.00 0.00 61.00 63.43 3k61 s PRO 336 Cb -0.11 -2.67 0.86 0.00 0.02 0.00 0.00 34.50 32.61 3k61 s PRO 336 CO 0.02 -0.63 1.77 1.25 -0.33 0.00 0.00 177.00 179.08 3k61 h LEU 337 N 2.45 0.67 -1.60 -5.54 5.85 -1.95 -1.66 115.31 113.53 3k61 h LEU 337 Ca -0.50 0.10 0.20 0.00 0.84 0.00 0.00 57.88 58.52 3k61 h LEU 337 Cb 1.25 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 3k61 h LEU 337 CO 0.62 0.20 0.58 0.50 -0.34 0.00 0.00 178.44 179.99 3k61 h LYS 338 N 0.63 0.33 0.00 1.25 1.63 -1.99 -0.62 116.57 117.80 3k61 h LYS 338 Ca 0.59 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 60.28 3k61 h LYS 338 Cb 1.10 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.64 3k61 h LYS 338 CO -0.37 0.22 -0.43 -0.91 -3.45 0.00 0.00 179.45 174.51 3k61 h ASN 339 N 0.34 0.00 0.00 4.20 2.35 -1.66 -3.29 115.58 117.51 3k61 h ASN 339 Ca 0.44 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.19 3k61 h ASN 339 Cb 1.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 3k61 h ASN 339 CO -0.14 0.43 -0.20 -2.67 -1.65 0.00 0.00 177.43 173.20 3k61 n TRP 340 N -3.39 0.00 0.20 1.19 4.27 -0.36 -4.69 117.44 114.66 3k61 n TRP 340 Ca 0.01 -1.16 0.05 0.00 -3.89 0.00 0.00 57.50 52.51 3k61 n TRP 340 Cb 0.60 -0.18 0.50 0.00 -1.36 0.00 0.00 31.31 30.87 3k61 n TRP 340 CO 0.00 0.00 0.00 1.49 -2.29 0.00 0.00 177.69 176.89 3k61 h GLU 341 N 0.38 0.08 0.00 -2.67 4.81 -1.32 -1.01 114.58 114.84 3k61 h GLU 341 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3k61 h GLU 341 Cb 1.02 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 3k61 h GLU 341 CO 0.00 0.19 -0.06 0.27 -0.73 0.00 0.00 179.01 178.69 3k61 h PHE 342 N 0.08 0.00 -0.04 0.92 -5.15 -1.86 -2.12 116.94 108.77 3k61 h PHE 342 Ca 0.02 0.00 -0.26 0.00 -0.20 0.00 0.00 57.97 57.53 3k61 h PHE 342 Cb 0.25 0.00 0.02 0.00 0.22 0.00 0.00 35.95 36.43 3k61 h PHE 342 CO 0.00 0.06 -0.98 0.82 -2.00 0.00 0.00 178.31 176.20 3k61 h ILE 343 N 0.00 1.28 -0.11 0.88 2.04 -1.54 -1.20 117.51 118.86 3k61 h ILE 343 Ca -0.00 -2.18 0.02 0.00 1.00 0.00 0.00 64.86 63.69 3k61 h ILE 343 Cb 0.17 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 3k61 h ILE 343 CO 0.01 0.68 -0.00 0.58 0.00 0.00 0.00 178.15 179.42 3k61 h VAL 344 N 0.43 0.93 -0.27 1.67 2.07 -1.37 -1.11 116.25 118.60 3k61 h VAL 344 Ca -0.11 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3k61 h VAL 344 Cb 1.63 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3k61 h VAL 344 CO 0.20 0.01 -0.27 0.44 0.02 0.00 0.00 177.57 177.96 3k61 h ASP 345 N 0.04 0.53 -0.12 0.57 3.32 -1.44 -0.18 116.42 119.15 3k61 h ASP 345 Ca 0.05 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3k61 h ASP 345 Cb 0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3k61 h ASP 345 CO -0.08 0.79 0.06 0.15 -1.72 0.00 0.00 179.24 178.44 3k61 h PHE 346 N 0.46 0.16 -0.23 4.55 3.57 -1.00 -2.63 116.94 121.82 3k61 h PHE 346 Ca 0.06 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 3k61 h PHE 346 Cb 0.72 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3k61 h PHE 346 CO 0.03 0.20 -0.33 0.28 -2.23 0.00 0.00 178.31 176.26 3k61 h VAL 347 N 0.08 1.29 0.00 1.41 2.07 -0.96 -2.45 116.25 117.69 3k61 h VAL 347 Ca 0.04 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3k61 h VAL 347 Cb 0.10 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3k61 h VAL 347 CO -0.01 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.03 3k61 n ALA 348 N -2.49 1.76 -1.76 1.67 0.00 -0.10 -2.64 120.51 116.94 3k61 n ALA 348 Ca -0.01 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 3k61 n ALA 348 Cb 0.46 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 3k61 n ALA 348 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3k61 s THR 349 N -3.23 3.02 0.26 0.00 2.01 -0.92 -4.78 115.64 112.00 3k61 s THR 349 Ca 0.06 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 3k61 s THR 349 Cb 0.10 -3.12 0.39 0.00 0.01 0.00 0.00 72.50 69.88 3k61 s THR 349 CO 0.40 -0.01 1.57 -0.65 -0.69 0.00 0.00 174.62 175.24 3k61 h PRO 350 N 9.77 -0.00 0.00 4.92 0.11 -1.89 0.13 132.00 145.04 3k61 h PRO 350 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 3k61 h PRO 350 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3k61 h PRO 350 CO 0.94 -0.00 -0.61 1.49 -0.21 0.00 0.00 178.00 179.61 3k61 h GLU 351 N -0.00 0.00 -0.15 1.05 4.57 -1.93 -1.58 114.58 116.54 3k61 h GLU 351 Ca 0.43 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.53 3k61 h GLU 351 Cb 0.66 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 3k61 h GLU 351 CO -0.94 0.61 -0.23 0.45 -1.18 0.00 0.00 179.01 177.71 3k61 h HIS 352 N 0.00 0.51 -0.72 0.92 3.86 -1.15 -2.72 115.15 115.85 3k61 h HIS 352 Ca -0.01 -0.18 0.03 0.00 -1.16 0.00 0.00 60.37 59.06 3k61 h HIS 352 Cb 1.11 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.43 3k61 h HIS 352 CO 0.00 0.85 0.45 1.25 0.86 0.00 0.00 177.93 181.34 3k61 h LEU 353 N 0.03 0.73 -0.70 2.43 5.85 -0.68 0.17 115.31 123.14 3k61 h LEU 353 Ca 0.01 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3k61 h LEU 353 Cb 0.81 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3k61 h LEU 353 CO 0.05 0.50 0.45 -0.09 -0.34 0.00 0.00 178.44 179.01 3k61 h ARG 354 N 0.87 0.86 -0.26 1.25 2.43 -1.31 0.13 114.38 118.35 3k61 h ARG 354 Ca 0.29 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.25 3k61 h ARG 354 Cb 0.04 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3k61 h ARG 354 CO -0.12 0.57 -0.46 1.96 -1.51 0.00 0.00 179.97 180.41 3k61 h GLN 355 N 0.88 0.78 -0.03 0.20 4.20 -1.08 -2.69 115.11 117.38 3k61 h GLN 355 Ca 0.27 -0.48 -0.17 0.00 0.06 0.00 0.00 58.65 58.34 3k61 h GLN 355 Cb -0.02 0.05 0.01 0.00 0.30 0.00 0.00 27.48 27.83 3k61 h GLN 355 CO -0.09 1.11 -0.63 0.82 -0.67 0.00 0.00 178.83 179.37 3k61 h ILE 356 N 0.52 1.39 0.00 2.54 2.04 -0.76 -3.13 117.51 120.12 3k61 h ILE 356 Ca 0.02 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.84 3k61 h ILE 356 Cb 1.06 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 3k61 h ILE 356 CO 0.10 0.60 0.00 0.00 0.00 0.00 0.00 178.15 178.86 3k61 n SER 358 N -1.63 1.40 -4.71 0.00 3.41 -1.01 -3.92 113.62 107.15 3k61 n SER 358 Ca 0.05 -1.48 -0.33 0.00 -0.26 0.00 0.00 58.87 56.84 3k61 n SER 358 Cb 0.25 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.11 3k61 n SER 358 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k61 s ASP 359 N -1.96 5.31 0.15 4.04 2.15 -0.65 -4.90 116.67 120.81 3k61 s ASP 359 Ca 0.38 0.09 -0.17 0.00 0.43 0.00 0.00 52.55 53.28 3k61 s ASP 359 Cb 0.21 -1.46 0.04 0.00 -0.30 0.00 0.00 42.92 41.41 3k61 s ASP 359 CO 0.33 0.31 1.74 0.50 -0.17 0.00 0.00 175.17 177.88 3k61 h LYS 360 N 4.56 0.19 0.02 4.34 3.64 -1.90 -1.33 116.57 126.08 3k61 h LYS 360 Ca -0.50 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 58.58 3k61 h LYS 360 Cb 1.18 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 3k61 h LYS 360 CO 0.57 0.12 -1.63 1.88 -2.27 0.00 0.00 179.45 178.13 3k61 h TYR 361 N 0.19 0.07 -0.93 1.91 0.05 -1.84 -3.33 116.97 113.10 3k61 h TYR 361 Ca 0.15 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.94 3k61 h TYR 361 Cb 0.15 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.83 3k61 h TYR 361 CO -0.17 1.09 0.60 0.78 -1.05 0.00 0.00 178.16 179.41 3k61 h GLY 362 N 3.12 1.37 1.01 3.88 0.00 -1.43 -1.63 103.07 109.40 3k61 h GLY 362 Ca -0.26 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 3k61 h GLY 362 CO 0.09 0.31 0.53 0.00 0.00 0.00 0.00 176.54 177.46 3k61 h ARG 364 N 1.19 0.88 -0.28 0.00 2.47 -1.41 0.18 114.38 117.40 3k61 h ARG 364 Ca 0.31 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.92 3k61 h ARG 364 Cb -0.05 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.06 3k61 h ARG 364 CO -0.06 0.58 -0.03 0.28 0.56 0.00 0.00 179.97 181.30 3k61 h VAL 365 N 0.90 1.27 -0.51 2.04 2.07 -1.05 -1.73 116.25 119.23 3k61 h VAL 365 Ca 0.32 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 3k61 h VAL 365 Cb 0.13 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3k61 h VAL 365 CO -0.10 0.32 0.01 0.58 0.02 0.00 0.00 177.57 178.40 3k61 h VAL 366 N 0.30 1.26 -0.40 2.57 2.07 -0.85 -2.11 116.25 119.08 3k61 h VAL 366 Ca 0.08 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.58 3k61 h VAL 366 Cb 0.49 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3k61 h VAL 366 CO 0.02 0.38 0.06 -0.61 0.02 0.00 0.00 177.57 177.44 3k61 h GLN 367 N 0.77 0.18 -0.38 1.57 5.75 -0.58 -0.34 115.11 122.08 3k61 h GLN 367 Ca 0.15 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.51 3k61 h GLN 367 Cb 0.52 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 3k61 h GLN 367 CO 0.03 0.12 -0.27 0.00 -2.65 0.00 0.00 178.83 176.05 3k61 h THR 368 N 0.18 1.27 -0.32 2.39 1.03 -1.11 -2.24 112.91 114.12 3k61 h THR 368 Ca 0.20 -1.40 0.01 0.00 -0.01 0.00 0.00 66.41 65.21 3k61 h THR 368 Cb 0.25 1.27 -0.02 0.00 -1.07 0.00 0.00 68.15 68.58 3k61 h THR 368 CO -0.28 0.47 0.19 0.40 -0.01 0.00 0.00 175.52 176.29 3k61 h ILE 369 N 0.68 1.04 -0.66 0.00 2.04 -1.15 -1.47 117.51 117.99 3k61 h ILE 369 Ca 0.08 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3k61 h ILE 369 Cb 0.79 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 3k61 h ILE 369 CO 0.07 0.07 0.34 0.40 0.00 0.00 0.00 178.15 179.02 3k61 h ILE 370 N 0.38 0.90 -0.51 -0.67 2.04 -0.69 -0.57 117.51 118.39 3k61 h ILE 370 Ca 0.13 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.65 3k61 h ILE 370 Cb -0.00 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3k61 h ILE 370 CO -0.06 0.11 -0.17 -0.33 0.00 0.00 0.00 178.15 177.71 3k61 h GLU 371 N 0.61 1.01 -0.44 2.37 5.08 -1.18 -2.21 114.58 119.82 3k61 h GLU 371 Ca 0.31 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3k61 h GLU 371 Cb 0.26 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3k61 h GLU 371 CO -0.22 1.09 0.10 -0.22 -1.00 0.00 0.00 179.01 178.76 3k61 h LYS 372 N 0.88 0.65 -0.06 2.33 1.63 -0.78 -2.71 116.57 118.52 3k61 h LYS 372 Ca 0.12 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3k61 h LYS 372 Cb 0.74 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 3k61 h LYS 372 CO 0.06 0.59 0.00 1.28 -3.45 0.00 0.00 179.45 177.93 3k61 n LEU 373 N -4.31 0.69 -4.78 5.20 4.77 -0.27 -4.85 117.00 113.45 3k61 n LEU 373 Ca 0.03 -0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 55.35 3k61 n LEU 373 Cb 0.20 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3k61 n LEU 373 CO 0.39 0.14 0.21 -0.89 -1.33 0.00 0.00 177.39 175.91 3k61 s THR 374 N -1.93 4.97 -1.44 -5.08 2.01 -0.96 -4.76 115.64 108.46 3k61 s THR 374 Ca 0.32 1.06 -0.14 0.00 0.31 0.00 0.00 61.69 63.25 3k61 s THR 374 Cb 0.16 -3.84 0.05 0.00 0.01 0.00 0.00 72.50 68.88 3k61 s THR 374 CO 0.26 0.47 2.18 0.00 -0.69 0.00 0.00 174.62 176.84 3k61 n ALA 375 N 2.50 5.47 -3.32 7.40 0.00 -1.26 -4.72 120.51 126.57 3k61 n ALA 375 Ca -0.09 -3.92 -0.16 0.00 0.00 0.00 0.00 53.44 49.27 3k61 n ALA 375 Cb 0.51 -3.49 0.02 0.00 0.00 0.00 0.00 19.45 16.49 3k61 n ALA 375 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k61 n ASP 376 N 5.98 1.62 0.31 0.00 5.68 -1.26 -4.96 116.55 123.93 3k61 n ASP 376 Ca 0.51 -2.03 0.21 0.00 -0.50 0.00 0.00 54.79 52.98 3k61 n ASP 376 Cb 0.39 -0.16 1.11 0.00 -1.14 0.00 0.00 41.12 41.32 3k61 n ASP 376 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3k61 h SER 377 N 0.20 0.00 0.92 -1.12 4.64 -2.01 -0.13 113.55 116.04 3k61 h SER 377 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3k61 h SER 377 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3k61 h SER 377 CO 0.28 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 177.04 3k61 n MET 378 N -2.98 0.03 -0.14 4.77 0.00 -1.26 -3.60 117.12 113.94 3k61 n MET 378 Ca -0.03 0.03 0.04 0.00 0.00 0.00 0.00 57.70 57.75 3k61 n MET 378 Cb 0.08 -1.50 0.11 0.00 0.00 0.00 0.00 33.22 31.92 3k61 n MET 378 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3k61 n ASN 379 N -1.49 2.68 0.08 6.12 5.03 -0.06 -4.66 115.26 122.96 3k61 n ASN 379 Ca 0.07 -2.22 0.10 0.00 0.87 0.00 0.00 54.58 53.40 3k61 n ASN 379 Cb 0.31 -0.21 0.41 0.00 -1.02 0.00 0.00 39.78 39.28 3k61 n ASN 379 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3k61 n VAL 380 N -0.13 0.95 1.27 2.41 0.24 -1.24 -1.66 118.33 120.17 3k61 n VAL 380 Ca 0.09 0.28 0.14 0.00 -2.04 0.00 0.00 64.34 62.82 3k61 n VAL 380 Cb 0.44 -1.16 0.69 0.00 -1.47 0.00 0.00 33.84 32.34 3k61 n VAL 380 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3k61 n ASP 381 N -1.95 0.05 -4.77 -1.34 5.75 -1.26 -4.88 116.55 108.15 3k61 n ASP 381 Ca 0.02 0.04 -0.39 0.00 -0.01 0.00 0.00 54.79 54.46 3k61 n ASP 381 Cb 0.19 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 3k61 n ASP 381 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3k61 s LEU 382 N -2.73 4.37 0.89 -2.12 1.43 -0.67 -5.04 118.68 114.82 3k61 s LEU 382 Ca 0.23 2.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.50 3k61 s LEU 382 Cb 0.20 -3.84 0.13 0.00 0.03 0.00 0.00 46.19 42.71 3k61 s LEU 382 CO 0.49 -0.38 1.10 0.42 0.23 0.00 0.00 176.35 178.21 3k61 s THR 383 N -1.32 2.59 0.22 5.49 -4.23 -1.26 -4.80 115.64 112.33 3k61 s THR 383 Ca 0.51 0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 61.16 3k61 s THR 383 Cb -0.30 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.12 3k61 s THR 383 CO 0.39 -0.25 1.65 0.77 -0.54 0.00 0.00 174.62 176.64 3k61 h SER 384 N -1.65 0.84 -0.87 3.99 4.64 -1.98 0.87 113.55 119.38 3k61 h SER 384 Ca -0.47 -0.27 0.05 0.00 -0.47 0.00 0.00 61.79 60.63 3k61 h SER 384 Cb 1.27 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 63.07 3k61 h SER 384 CO 0.49 0.99 0.55 0.00 -0.87 0.00 0.00 176.83 177.98 3k61 h ALA 385 N 1.09 1.19 -0.18 5.18 0.00 -1.99 0.14 119.26 124.69 3k61 h ALA 385 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3k61 h ALA 385 Cb 0.65 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3k61 h ALA 385 CO 0.05 0.33 -0.46 0.00 0.00 0.00 0.00 179.25 179.16 3k61 h ALA 386 N 1.40 0.88 -0.61 0.00 0.00 -1.65 -1.64 119.26 117.63 3k61 h ALA 386 Ca 0.37 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3k61 h ALA 386 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3k61 h ALA 386 CO -0.16 0.65 0.18 1.96 0.00 0.00 0.00 179.25 181.89 3k61 h GLN 387 N 0.36 0.95 -0.36 0.00 1.08 -0.15 -0.64 115.11 116.35 3k61 h GLN 387 Ca 0.02 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 57.02 3k61 h GLN 387 Cb 0.95 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.22 3k61 h GLN 387 CO 0.08 0.85 0.23 -0.97 -0.95 0.00 0.00 178.83 178.08 3k61 h ASN 388 N 0.87 0.39 -0.38 1.46 -1.24 -0.50 -0.26 115.58 115.93 3k61 h ASN 388 Ca 0.20 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.23 3k61 h ASN 388 Cb 0.30 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 3k61 h ASN 388 CO -0.00 0.29 0.17 0.25 -1.29 0.00 0.00 177.43 176.84 3k61 h LEU 389 N 0.47 0.24 -0.75 0.34 5.85 -1.09 -2.24 115.31 118.14 3k61 h LEU 389 Ca 0.14 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.96 3k61 h LEU 389 Cb -0.04 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3k61 h LEU 389 CO -0.04 0.18 0.42 -0.09 -0.34 0.00 0.00 178.44 178.57 3k61 h ARG 390 N 0.36 0.72 -0.26 1.25 2.43 -0.66 -2.50 114.38 115.73 3k61 h ARG 390 Ca 0.16 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3k61 h ARG 390 Cb 0.09 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3k61 h ARG 390 CO -0.13 0.48 0.10 1.49 -1.51 0.00 0.00 179.97 180.40 3k61 h GLU 391 N 0.74 0.39 -0.49 0.20 4.57 -0.71 -0.64 114.58 118.65 3k61 h GLU 391 Ca 0.35 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.49 3k61 h GLU 391 Cb 0.26 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 3k61 h GLU 391 CO -0.21 0.43 0.26 0.00 -1.18 0.00 0.00 179.01 178.31 3k61 h ARG 392 N 0.27 0.50 -0.72 1.92 3.08 -1.18 0.45 114.38 118.70 3k61 h ARG 392 Ca 0.09 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3k61 h ARG 392 Cb 0.19 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3k61 h ARG 392 CO -0.01 0.33 0.28 0.00 -1.07 0.00 0.00 179.97 179.50 3k61 h ALA 393 N 1.24 0.94 -0.25 0.04 0.00 -1.30 -1.64 119.26 118.29 3k61 h ALA 393 Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k61 h ALA 393 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3k61 h ALA 393 CO -0.13 0.58 0.15 1.25 0.00 0.00 0.00 179.25 181.10 3k61 h LEU 394 N 1.04 0.30 -0.61 0.00 5.85 -0.50 -1.85 115.31 119.55 3k61 h LEU 394 Ca 0.24 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3k61 h LEU 394 Cb 0.23 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3k61 h LEU 394 CO -0.02 0.25 0.33 1.56 -0.34 0.00 0.00 178.44 180.22 3k61 h GLN 395 N 0.32 0.85 -0.58 1.25 4.20 -0.68 0.31 115.11 120.77 3k61 h GLN 395 Ca 0.09 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3k61 h GLN 395 Cb 0.01 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 3k61 h GLN 395 CO -0.02 0.65 0.21 0.00 -0.67 0.00 0.00 178.83 179.01 3k61 h ARG 396 N 0.82 0.88 -0.44 1.46 3.08 -1.15 -0.37 114.38 118.66 3k61 h ARG 396 Ca 0.21 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 3k61 h ARG 396 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3k61 h ARG 396 CO -0.03 0.77 -0.25 1.25 -1.07 0.00 0.00 179.97 180.63 3k61 h LEU 397 N 0.80 0.96 -0.69 3.04 5.85 -1.11 -3.10 115.31 121.07 3k61 h LEU 397 Ca 0.19 -0.38 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 3k61 h LEU 397 Cb 0.23 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3k61 h LEU 397 CO -0.01 1.16 -0.63 0.24 -0.34 0.00 0.00 178.44 178.85 3k61 h MET 398 N 0.80 0.00 -0.54 1.25 2.86 -0.69 -1.61 114.93 116.99 3k61 h MET 398 Ca 0.10 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3k61 h MET 398 Cb 0.82 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 3k61 h MET 398 CO 0.07 0.63 0.26 1.15 1.06 0.00 0.00 176.91 180.08 3k61 h THR 399 N 0.00 1.20 -0.52 2.22 2.02 -1.05 0.42 112.91 117.20 3k61 h THR 399 Ca -0.01 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 3k61 h THR 399 Cb 1.15 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3k61 h THR 399 CO 0.08 0.23 -0.10 0.28 0.37 0.00 0.00 175.52 176.38 3k61 h SER 400 N 0.73 0.97 -0.13 4.18 0.02 -1.42 -1.29 113.55 116.62 3k61 h SER 400 Ca 0.19 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3k61 h SER 400 Cb 0.13 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 3k61 h SER 400 CO -0.02 1.08 0.02 0.58 -1.14 0.00 0.00 176.83 177.35 3k61 h VAL 401 N 0.87 1.22 -0.18 2.27 2.07 -1.10 -2.91 116.25 118.50 3k61 h VAL 401 Ca 0.14 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 3k61 h VAL 401 Cb 0.65 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3k61 h VAL 401 CO 0.05 0.21 -0.37 0.71 0.02 0.00 0.00 177.57 178.19 3k61 h THR 402 N -0.02 1.30 0.00 2.57 1.35 -0.87 -1.66 112.91 115.58 3k61 h THR 402 Ca 0.04 -1.47 -0.02 0.00 -0.55 0.00 0.00 66.41 64.41 3k61 h THR 402 Cb 0.31 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3k61 h THR 402 CO 0.00 0.45 -0.10 0.78 -0.25 0.00 0.00 175.52 176.41 3k61 h ASN 403 N 0.32 0.00 -0.24 5.36 2.35 -1.21 -2.50 115.58 119.66 3k61 h ASN 403 Ca 0.03 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3k61 h ASN 403 Cb 0.80 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 3k61 h ASN 403 CO 0.06 0.10 -0.04 0.54 -1.65 0.00 0.00 177.43 176.44 3k61 n ARG 404 N -3.65 2.26 -0.29 0.81 1.74 -0.92 -4.80 116.66 111.81 3k61 n ARG 404 Ca -0.02 -2.92 0.04 0.00 -0.77 0.00 0.00 57.85 54.18 3k61 n ARG 404 Cb 0.21 -1.77 0.18 0.00 -1.02 0.00 0.00 32.46 30.06 3k61 n ARG 404 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k61 h GLN 406 N 0.72 -0.28 -0.50 0.00 5.75 -1.87 0.30 115.11 119.23 3k61 h GLN 406 Ca 0.42 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.96 3k61 h GLN 406 Cb 0.46 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 3k61 h GLN 406 CO -0.29 -0.18 0.28 1.49 -2.65 0.00 0.00 178.83 177.48 3k61 h GLU 407 N -0.29 0.55 -0.21 1.69 4.81 -1.75 -2.79 114.58 116.59 3k61 h GLU 407 Ca 0.01 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3k61 h GLU 407 Cb 0.28 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3k61 h GLU 407 CO -0.05 0.36 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.35 3k61 h LEU 408 N 0.56 0.51 -1.60 1.64 3.38 -0.78 -2.78 115.31 116.25 3k61 h LEU 408 Ca 0.21 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3k61 h LEU 408 Cb 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3k61 h LEU 408 CO -0.11 0.86 0.21 0.00 0.09 0.00 0.00 178.44 179.49 3k61 h ALA 409 N 0.66 1.70 -0.01 1.53 0.00 -0.39 -2.00 119.26 120.75 3k61 h ALA 409 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k61 h ALA 409 Cb 0.70 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3k61 h ALA 409 CO 0.04 0.26 -0.19 0.25 0.00 0.00 0.00 179.25 179.61 3k61 n THR 410 N -4.46 0.00 -3.11 0.00 -2.24 -1.06 -3.38 114.28 100.03 3k61 n THR 410 Ca 0.02 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 3k61 n THR 410 Cb 0.08 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 3k61 n THR 410 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3k61 s ASN 411 N -2.34 7.00 0.51 3.42 2.47 -0.87 -4.62 114.94 120.51 3k61 s ASN 411 Ca 0.28 1.39 0.19 0.00 0.42 0.00 0.00 52.86 55.13 3k61 s ASN 411 Cb 0.20 -2.41 1.26 0.00 -1.45 0.00 0.00 41.25 38.85 3k61 s ASN 411 CO 0.46 -0.01 2.07 1.05 -3.72 0.00 0.00 177.10 176.95 3k61 h GLU 412 N 3.20 0.08 0.00 0.43 4.11 -1.92 -2.44 114.58 118.04 3k61 h GLU 412 Ca -0.48 -0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.64 3k61 h GLU 412 Cb 1.19 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 3k61 h GLU 412 CO 0.65 0.05 -2.11 0.66 0.07 0.00 0.00 179.01 178.34 3k61 n TYR 413 N -4.47 0.00 0.91 2.06 4.01 -1.26 -4.67 117.16 113.74 3k61 n TYR 413 Ca 0.04 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.91 3k61 n TYR 413 Cb 0.32 -0.74 0.57 0.00 -0.31 0.00 0.00 39.34 39.18 3k61 n TYR 413 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k61 n ALA 414 N -3.32 2.29 0.08 -0.72 0.00 -1.22 -2.92 120.51 114.71 3k61 n ALA 414 Ca -0.36 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.14 3k61 n ALA 414 Cb 0.84 -1.46 0.64 0.00 0.00 0.00 0.00 19.45 19.47 3k61 n ALA 414 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3k61 h ASN 415 N 0.00 0.06 -0.01 0.00 7.08 -0.87 -1.13 115.58 120.71 3k61 h ASN 415 Ca 0.00 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.15 3k61 h ASN 415 Cb 0.53 -0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 36.74 3k61 h ASN 415 CO 0.00 0.04 -0.19 1.88 -2.08 0.00 0.00 177.43 177.08 3k61 h TYR 416 N 0.07 0.39 -0.13 4.14 0.05 -1.82 -0.89 116.97 118.78 3k61 h TYR 416 Ca 0.16 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 3k61 h TYR 416 Cb 0.56 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.20 3k61 h TYR 416 CO -0.00 0.54 -0.10 0.82 -1.05 0.00 0.00 178.16 178.37 3k61 h ILE 417 N 0.33 1.34 -0.78 -2.88 2.04 -1.42 -0.67 117.51 115.47 3k61 h ILE 417 Ca 0.06 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 3k61 h ILE 417 Cb 0.53 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 3k61 h ILE 417 CO 0.03 0.35 0.47 0.40 0.00 0.00 0.00 178.15 179.40 3k61 h ILE 418 N -0.07 1.22 -0.48 -0.67 1.08 -1.30 -0.80 117.51 116.49 3k61 h ILE 418 Ca 0.03 -0.49 0.01 0.00 -0.39 0.00 0.00 64.86 64.02 3k61 h ILE 418 Cb 0.59 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 3k61 h ILE 418 CO 0.03 0.23 0.32 1.56 -0.69 0.00 0.00 178.15 179.59 3k61 h GLN 419 N 1.07 0.63 -0.41 2.37 4.20 -1.12 -1.47 115.11 120.37 3k61 h GLN 419 Ca 0.28 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.99 3k61 h GLN 419 Cb -0.04 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 3k61 h GLN 419 CO -0.05 0.42 0.18 1.25 -0.67 0.00 0.00 178.83 179.95 3k61 h HIS 420 N 0.65 0.32 -0.47 2.96 2.76 -0.27 -0.73 115.15 120.37 3k61 h HIS 420 Ca 0.18 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3k61 h HIS 420 Cb -0.07 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 3k61 h HIS 420 CO -0.04 0.15 0.27 0.82 -1.30 0.00 0.00 177.93 177.82 3k61 h ILE 421 N 0.36 1.16 -0.34 6.26 2.04 -0.88 -2.11 117.51 124.00 3k61 h ILE 421 Ca 0.18 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 3k61 h ILE 421 Cb 0.13 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3k61 h ILE 421 CO -0.16 0.17 -0.06 0.58 0.00 0.00 0.00 178.15 178.68 3k61 h VAL 422 N 0.62 1.22 0.00 1.67 2.07 -1.09 -3.08 116.25 117.66 3k61 h VAL 422 Ca 0.17 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 3k61 h VAL 422 Cb 0.03 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3k61 h VAL 422 CO -0.03 0.31 -0.13 0.28 0.02 0.00 0.00 177.57 178.02 3k61 h SER 423 N 0.52 0.00 -3.60 0.57 0.02 -0.73 -3.45 113.55 106.88 3k61 h SER 423 Ca 0.10 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.39 3k61 h SER 423 Cb 0.42 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.80 3k61 h SER 423 CO 0.02 0.13 -0.11 0.21 -1.14 0.00 0.00 176.83 175.94 3k61 s ASN 424 N -6.13 6.27 0.48 3.07 3.84 -0.83 -4.93 114.94 116.71 3k61 s ASN 424 Ca 0.04 -0.23 0.19 0.00 0.21 0.00 0.00 52.86 53.07 3k61 s ASN 424 Cb 0.07 -2.25 1.21 0.00 -0.55 0.00 0.00 41.25 39.73 3k61 s ASN 424 CO 0.65 -0.51 2.00 0.44 -2.79 0.00 0.00 177.10 176.89 3k61 h ASP 425 N 8.56 0.17 0.55 -4.21 3.32 -1.88 0.01 116.42 122.95 3k61 h ASP 425 Ca -0.28 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3k61 h ASP 425 Cb 1.12 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3k61 h ASP 425 CO 0.78 0.10 0.00 0.47 -1.72 0.00 0.00 179.24 178.87 3k61 n ASP 426 N -4.44 0.00 -0.93 6.45 10.43 -1.26 -1.83 116.55 124.97 3k61 n ASP 426 Ca 0.09 0.15 0.00 0.00 2.57 0.00 0.00 54.79 57.60 3k61 n ASP 426 Cb 0.45 -0.36 0.20 0.00 1.84 0.00 0.00 41.12 43.25 3k61 n ASP 426 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3k61 n LEU 427 N -1.36 3.64 -0.28 0.64 4.77 -0.02 -4.71 117.00 119.69 3k61 n LEU 427 Ca 0.09 -3.69 0.09 0.00 -0.03 0.00 0.00 56.01 52.47 3k61 n LEU 427 Cb 0.21 -0.59 0.24 0.00 -2.33 0.00 0.00 43.42 40.95 3k61 n LEU 427 CO 0.19 1.20 1.04 0.00 -1.33 0.00 0.00 177.39 178.49 3k61 h ALA 428 N 1.00 1.24 -0.07 -1.18 0.00 -1.33 -0.06 119.26 118.86 3k61 h ALA 428 Ca 0.13 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3k61 h ALA 428 Cb 1.44 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3k61 h ALA 428 CO 0.25 -0.23 -0.28 -0.24 0.00 0.00 0.00 179.25 178.74 3k61 h VAL 429 N 0.46 1.23 0.09 0.00 3.04 -1.89 -1.63 116.25 117.55 3k61 h VAL 429 Ca 0.48 -1.11 -0.26 0.00 -1.01 0.00 0.00 66.70 64.80 3k61 h VAL 429 Cb 0.79 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 3k61 h VAL 429 CO -0.45 0.33 -1.22 1.88 -1.01 0.00 0.00 177.57 177.10 3k61 h TYR 430 N 0.11 0.34 -0.76 3.17 0.05 -1.44 -2.24 116.97 116.20 3k61 h TYR 430 Ca 0.02 -0.25 0.09 0.00 0.05 0.00 0.00 58.73 58.63 3k61 h TYR 430 Cb 0.57 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.23 3k61 h TYR 430 CO 0.00 1.21 0.42 -0.09 -1.05 0.00 0.00 178.16 178.65 3k61 h ARG 431 N 0.05 0.69 -0.28 4.88 2.43 -0.74 -1.39 114.38 120.04 3k61 h ARG 431 Ca -0.11 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.83 3k61 h ARG 431 Cb 1.92 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 31.31 3k61 h ARG 431 CO 0.18 0.46 -0.55 0.93 -1.51 0.00 0.00 179.97 179.48 3k61 h GLU 432 N 0.71 0.83 -0.17 0.20 5.08 -1.24 -1.90 114.58 118.09 3k61 h GLU 432 Ca 0.36 -0.53 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3k61 h GLU 432 Cb 0.32 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3k61 h GLU 432 CO -0.24 1.16 -0.00 0.00 -1.00 0.00 0.00 179.01 178.93 3k61 h ILE 434 N 0.06 0.94 -0.01 0.00 2.04 -1.17 0.36 117.51 119.73 3k61 h ILE 434 Ca 0.08 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3k61 h ILE 434 Cb 0.10 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3k61 h ILE 434 CO -0.14 0.05 0.00 0.40 0.00 0.00 0.00 178.15 178.47 3k61 h ILE 435 N 0.28 1.08 0.26 -0.67 2.04 -1.06 0.11 117.51 119.53 3k61 h ILE 435 Ca 0.14 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3k61 h ILE 435 Cb 0.09 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3k61 h ILE 435 CO -0.13 0.06 -0.12 -0.33 0.00 0.00 0.00 178.15 177.63 3k61 h GLU 436 N -0.09 -0.33 0.00 2.37 5.08 -0.96 0.20 114.58 120.86 3k61 h GLU 436 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3k61 h GLU 436 Cb 0.10 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3k61 h GLU 436 CO -0.00 -0.12 -0.84 1.63 -1.00 0.00 0.00 179.01 178.69 3k61 n LYS 437 N -5.17 0.06 -0.02 2.33 5.02 0.10 -4.13 118.16 116.35 3k61 n LYS 437 Ca -0.10 -0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.15 3k61 n LYS 437 Cb 0.21 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 3k61 n LYS 437 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k61 h LEU 439 N -0.15 0.51 -9.74 0.00 3.38 -0.96 -3.43 115.31 104.92 3k61 h LEU 439 Ca -0.11 -0.83 -0.53 0.00 0.09 0.00 0.00 57.88 56.51 3k61 h LEU 439 Cb 1.09 -0.17 0.07 0.00 0.09 0.00 0.00 40.66 41.74 3k61 h LEU 439 CO -0.06 1.71 0.87 -0.32 0.09 0.00 0.00 178.44 180.73 3k61 s MET 440 N -2.58 4.17 0.00 1.13 1.75 0.68 -1.23 119.30 123.22 3k61 s MET 440 Ca -0.16 2.48 0.00 0.00 -1.25 0.00 0.00 55.69 56.76 3k61 s MET 440 Cb 0.06 -3.07 0.00 0.00 2.84 0.00 0.00 34.83 34.66 3k61 s MET 440 CO 0.84 -0.59 0.00 0.54 -0.65 0.00 0.00 175.02 175.16 3k61 n ARG 441 N 2.71 0.00 -0.05 4.11 1.74 -1.26 -4.80 116.66 119.12 3k61 n ARG 441 Ca 0.10 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.19 3k61 n ARG 441 Cb 0.38 -1.74 0.04 0.00 -1.02 0.00 0.00 32.46 30.12 3k61 n ARG 441 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3k61 n ASN 442 N 0.00 2.23 -0.17 0.55 4.13 -0.36 -4.83 115.26 116.81 3k61 n ASN 442 Ca 0.00 -2.05 -0.07 0.00 1.68 0.00 0.00 54.58 54.14 3k61 n ASN 442 Cb 0.00 -0.07 0.02 0.00 -1.54 0.00 0.00 39.78 38.19 3k61 n ASN 442 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3k61 h LEU 443 N 0.46 0.60 -0.02 3.41 3.38 -1.83 0.18 115.31 121.49 3k61 h LEU 443 Ca 0.00 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3k61 h LEU 443 Cb 0.58 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3k61 h LEU 443 CO 0.00 0.47 -0.11 0.25 0.09 0.00 0.00 178.44 179.14 3k61 h LEU 444 N 0.68 -0.31 -0.34 1.67 5.85 -1.92 -0.25 115.31 120.69 3k61 h LEU 444 Ca 0.18 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.83 3k61 h LEU 444 Cb -0.03 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3k61 h LEU 444 CO -0.04 -0.15 -0.28 0.77 -0.34 0.00 0.00 178.44 178.40 3k61 h SER 445 N -0.17 0.84 -0.28 1.25 4.64 -1.85 -3.15 113.55 114.83 3k61 h SER 445 Ca 0.05 -0.45 -0.07 0.00 -0.47 0.00 0.00 61.79 60.84 3k61 h SER 445 Cb 0.24 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3k61 h SER 445 CO -0.12 1.12 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.82 3k61 h LEU 446 N 0.58 0.64 -2.46 5.97 3.38 -0.88 -1.70 115.31 120.84 3k61 h LEU 446 Ca 0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3k61 h LEU 446 Cb 0.86 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3k61 h LEU 446 CO 0.07 0.76 -0.02 0.28 0.09 0.00 0.00 178.44 179.62 3k61 h SER 447 N 0.62 0.00 -0.45 -0.43 0.02 -1.00 -0.99 113.55 111.32 3k61 h SER 447 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3k61 h SER 447 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3k61 h SER 447 CO 0.03 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 3k61 n GLN 448 N -3.33 2.25 -3.63 3.45 6.02 -0.64 -2.48 117.38 119.01 3k61 n GLN 448 Ca -0.02 -1.92 -0.36 0.00 -0.01 0.00 0.00 57.00 54.69 3k61 n GLN 448 Cb 0.14 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 29.90 3k61 n GLN 448 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3k61 s GLU 449 N -1.40 3.74 0.19 -1.09 0.41 -0.39 -4.87 118.70 115.27 3k61 s GLU 449 Ca 0.37 0.17 -0.12 0.00 -0.41 0.00 0.00 54.97 54.98 3k61 s GLU 449 Cb 0.20 -3.14 0.14 0.00 -1.78 0.00 0.00 34.13 29.55 3k61 s GLU 449 CO 0.27 0.67 1.81 -0.22 -0.49 0.00 0.00 175.26 177.30 3k61 h LYS 450 N 4.40 0.62 0.06 1.61 3.64 -1.91 -2.55 116.57 122.44 3k61 h LYS 450 Ca -0.51 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 58.52 3k61 h LYS 450 Cb 1.21 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 3k61 h LYS 450 CO 0.63 0.41 -1.67 1.19 -2.27 0.00 0.00 179.45 177.73 3k61 n PHE 451 N -4.79 1.09 0.27 1.91 3.72 -1.26 -4.27 117.46 114.13 3k61 n PHE 451 Ca 0.05 0.34 0.16 0.00 -0.05 0.00 0.00 57.45 57.95 3k61 n PHE 451 Cb 0.10 -1.13 0.69 0.00 -0.94 0.00 0.00 39.48 38.21 3k61 n PHE 451 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k61 h ALA 452 N -0.23 1.03 -0.31 4.37 0.00 -1.64 -2.80 119.26 119.68 3k61 h ALA 452 Ca -0.40 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.47 3k61 h ALA 452 Cb 1.67 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 3k61 h ALA 452 CO -0.07 0.07 0.21 0.66 0.00 0.00 0.00 179.25 180.12 3k61 h SER 453 N 0.00 0.32 0.01 0.00 4.64 -1.26 -0.05 113.55 117.21 3k61 h SER 453 Ca -0.00 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 3k61 h SER 453 Cb 0.49 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3k61 h SER 453 CO 0.01 0.23 -0.37 0.45 -0.87 0.00 0.00 176.83 176.28 3k61 h HIS 454 N 0.38 0.57 -0.49 4.77 3.86 -1.73 -2.36 115.15 120.14 3k61 h HIS 454 Ca 0.12 -0.15 -0.10 0.00 -1.16 0.00 0.00 60.37 59.08 3k61 h HIS 454 Cb 0.02 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3k61 h HIS 454 CO -0.00 0.79 -0.07 0.28 0.86 0.00 0.00 177.93 179.79 3k61 h VAL 455 N 0.41 1.27 -0.61 2.45 2.07 -1.18 -2.54 116.25 118.11 3k61 h VAL 455 Ca 0.04 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 3k61 h VAL 455 Cb 0.84 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3k61 h VAL 455 CO 0.07 0.41 0.38 0.58 0.02 0.00 0.00 177.57 179.03 3k61 h VAL 456 N 0.78 1.18 -0.21 2.57 2.07 -1.10 -1.10 116.25 120.43 3k61 h VAL 456 Ca 0.13 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3k61 h VAL 456 Cb 0.61 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3k61 h VAL 456 CO 0.04 0.18 -0.09 -0.33 0.02 0.00 0.00 177.57 177.39 3k61 h GLU 457 N 0.83 -0.05 -0.60 1.57 5.08 -1.29 -1.40 114.58 118.71 3k61 h GLU 457 Ca 0.22 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 3k61 h GLU 457 Cb -0.04 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 3k61 h GLU 457 CO -0.04 -0.03 0.29 0.87 -1.00 0.00 0.00 179.01 179.09 3k61 h LYS 458 N -0.05 0.51 -0.45 2.33 1.79 -1.07 -0.88 116.57 118.75 3k61 h LYS 458 Ca 0.11 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 3k61 h LYS 458 Cb 0.22 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 3k61 h LYS 458 CO -0.25 0.34 0.23 0.00 -1.08 0.00 0.00 179.45 178.69 3k61 h ALA 459 N 1.36 0.56 -0.70 3.86 0.00 -0.83 -0.34 119.26 123.17 3k61 h ALA 459 Ca 0.28 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3k61 h ALA 459 Cb 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3k61 h ALA 459 CO -0.22 -0.11 0.46 0.74 0.00 0.00 0.00 179.25 180.12 3k61 h PHE 460 N 0.47 0.88 -0.01 0.00 -1.00 -0.64 0.76 116.94 117.39 3k61 h PHE 460 Ca 0.19 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.89 3k61 h PHE 460 Cb 0.08 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 3k61 h PHE 460 CO -0.09 0.55 -0.48 -0.07 -1.61 0.00 0.00 178.31 176.60 3k61 h LEU 461 N 0.94 0.03 -0.42 1.54 3.38 -0.55 -3.33 115.31 116.90 3k61 h LEU 461 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3k61 h LEU 461 Cb -0.10 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3k61 h LEU 461 CO -0.06 0.51 -0.05 1.41 0.09 0.00 0.00 178.44 180.34 3k61 n HIS 462 N -3.97 0.00 -1.76 1.13 8.25 -0.19 -5.04 115.22 113.64 3k61 n HIS 462 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 3k61 n HIS 462 Cb 0.50 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 3k61 n HIS 462 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k61 n ALA 463 N -0.59 2.23 -1.73 -1.41 0.00 0.25 -4.97 120.51 114.29 3k61 n ALA 463 Ca 0.01 0.35 -0.38 0.00 0.00 0.00 0.00 53.44 53.41 3k61 n ALA 463 Cb 0.03 -2.40 0.06 0.00 0.00 0.00 0.00 19.45 17.14 3k61 n ALA 463 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k61 n PRO 464 N 0.53 1.36 -0.32 0.00 -0.02 -1.26 -4.64 135.00 130.65 3k61 n PRO 464 Ca 0.02 0.52 0.16 0.00 -2.02 0.00 0.00 63.50 62.17 3k61 n PRO 464 Cb 0.38 -2.53 0.32 0.00 -0.02 0.00 0.00 33.50 31.65 3k61 n PRO 464 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3k61 h LEU 465 N 0.93 -0.24 -0.41 2.45 -0.00 -1.95 0.28 115.31 116.37 3k61 h LEU 465 Ca -0.51 0.25 -0.06 0.00 -0.00 0.00 0.00 57.88 57.56 3k61 h LEU 465 Cb 1.33 0.39 -0.02 0.00 -0.00 0.00 0.00 40.66 42.36 3k61 h LEU 465 CO 0.55 -0.30 0.01 -0.33 -0.00 0.00 0.00 178.44 178.37 3k61 h GLU 466 N 0.07 0.72 -0.50 1.13 4.39 -1.97 -0.39 114.58 118.02 3k61 h GLU 466 Ca 0.61 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.96 3k61 h GLU 466 Cb 1.30 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3k61 h GLU 466 CO -0.81 0.79 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.57 3k61 h LEU 467 N 0.55 1.03 -0.91 1.33 3.38 -1.61 -2.71 115.31 116.38 3k61 h LEU 467 Ca 0.12 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3k61 h LEU 467 Cb 0.46 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 3k61 h LEU 467 CO 0.02 1.18 0.57 0.25 0.09 0.00 0.00 178.44 180.55 3k61 h LEU 468 N 0.88 0.89 -0.76 1.67 5.85 -0.61 0.13 115.31 123.35 3k61 h LEU 468 Ca 0.12 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3k61 h LEU 468 Cb 0.77 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3k61 h LEU 468 CO 0.06 0.56 0.20 0.00 -0.34 0.00 0.00 178.44 178.91 3k61 h ALA 469 N 1.43 0.99 -0.61 1.25 0.00 -0.96 0.24 119.26 121.60 3k61 h ALA 469 Ca 0.40 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3k61 h ALA 469 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3k61 h ALA 469 CO -0.19 0.66 0.07 0.93 0.00 0.00 0.00 179.25 180.73 3k61 h GLU 470 N 1.08 1.03 -0.19 0.00 5.08 -0.91 -0.49 114.58 120.19 3k61 h GLU 470 Ca 0.23 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3k61 h GLU 470 Cb 0.34 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3k61 h GLU 470 CO -0.00 0.98 0.12 0.52 -1.00 0.00 0.00 179.01 179.63 3k61 h MET 471 N 0.94 0.24 -0.23 2.33 2.86 -0.27 0.16 114.93 120.96 3k61 h MET 471 Ca 0.18 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3k61 h MET 471 Cb 0.47 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3k61 h MET 471 CO 0.02 0.16 0.10 0.52 1.06 0.00 0.00 176.91 178.76 3k61 h MET 472 N 0.25 0.34 -0.57 1.72 2.86 -0.86 -2.11 114.93 116.56 3k61 h MET 472 Ca 0.07 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3k61 h MET 472 Cb -0.02 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3k61 h MET 472 CO -0.02 0.39 0.37 -0.44 1.06 0.00 0.00 176.91 178.27 3k61 h ASP 473 N 0.22 0.66 -0.50 1.22 3.45 -0.96 0.29 116.42 120.81 3k61 h ASP 473 Ca 0.08 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.45 3k61 h ASP 473 Cb 0.17 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 3k61 h ASP 473 CO -0.01 0.49 0.07 -0.08 -1.57 0.00 0.00 179.24 178.14 3k61 h GLU 474 N 0.78 0.83 -0.28 3.56 4.81 -0.51 0.94 114.58 124.71 3k61 h GLU 474 Ca 0.21 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3k61 h GLU 474 Cb -0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3k61 h GLU 474 CO -0.04 0.83 -0.06 0.82 -0.73 0.00 0.00 179.01 179.82 3k61 h ILE 475 N 0.70 1.28 0.00 2.32 1.08 -0.70 0.12 117.51 122.32 3k61 h ILE 475 Ca 0.15 -1.08 -0.11 0.00 -0.39 0.00 0.00 64.86 63.43 3k61 h ILE 475 Cb 0.41 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 3k61 h ILE 475 CO 0.01 0.34 -0.53 -0.26 -0.69 0.00 0.00 178.15 177.03 3k61 h PHE 476 N 0.29 0.00 0.00 1.37 0.04 -0.87 -3.39 116.94 114.38 3k61 h PHE 476 Ca 0.07 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 3k61 h PHE 476 Cb 0.54 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.58 3k61 h PHE 476 CO 0.05 0.53 -0.30 -3.47 -0.60 0.00 0.00 178.31 174.52 3k61 n ASP 477 N -3.44 -0.34 0.03 2.17 2.03 0.31 -4.93 116.55 112.38 3k61 n ASP 477 Ca 0.00 -1.66 0.11 0.00 0.52 0.00 0.00 54.79 53.77 3k61 n ASP 477 Cb 0.65 0.08 0.04 0.00 -0.72 0.00 0.00 41.12 41.17 3k61 n ASP 477 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k61 n GLY 478 N 0.06 -1.22 3.18 0.27 0.00 0.42 -4.87 105.19 103.03 3k61 n GLY 478 Ca -0.12 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 3k61 n GLY 478 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k61 s TYR 479 N -3.18 1.43 -0.07 1.61 2.02 -1.26 -5.05 117.35 112.86 3k61 s TYR 479 Ca 0.04 -0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 3k61 s TYR 479 Cb 0.14 -0.86 -0.02 0.00 -0.40 0.00 0.00 41.96 40.83 3k61 s TYR 479 CO 0.79 0.05 0.96 0.42 -1.57 0.00 0.00 175.55 176.20 3k61 s ILE 480 N -0.78 4.84 0.78 2.71 1.01 -1.26 -4.81 121.20 123.70 3k61 s ILE 480 Ca 0.04 1.98 -0.14 0.00 0.00 0.00 0.00 60.65 62.53 3k61 s ILE 480 Cb -0.08 -4.29 0.06 0.00 0.01 0.00 0.00 42.46 38.17 3k61 s ILE 480 CO 0.01 0.08 1.18 -2.65 0.00 0.00 0.00 174.94 173.56 3k61 n PRO 481 N 4.52 0.33 -1.69 2.79 -0.02 -1.26 -4.91 135.00 134.75 3k61 n PRO 481 Ca 0.07 0.18 -0.44 0.00 -2.02 0.00 0.00 63.50 61.29 3k61 n PRO 481 Cb 0.50 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 3k61 n PRO 481 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3k61 n HIS 482 N -3.05 2.52 0.07 6.00 -0.00 0.29 -4.88 115.22 116.17 3k61 n HIS 482 Ca 0.14 0.16 0.13 0.00 -0.00 0.00 0.00 57.72 58.15 3k61 n HIS 482 Cb 0.50 -2.61 0.62 0.00 -0.00 0.00 0.00 29.99 28.50 3k61 n HIS 482 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3k61 h PRO 483 N 6.30 0.12 0.01 1.57 0.13 -1.91 -1.37 132.00 136.84 3k61 h PRO 483 Ca -0.44 -0.01 -0.42 0.00 -0.87 0.00 0.00 66.00 64.27 3k61 h PRO 483 Cb 1.23 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 3k61 h PRO 483 CO 0.92 0.08 -2.41 -0.25 -0.23 0.00 0.00 178.00 176.11 3k61 n ASP 484 N -4.46 1.97 0.01 1.44 8.00 -1.26 -4.70 116.55 117.56 3k61 n ASP 484 Ca 0.05 0.15 -0.02 0.00 0.71 0.00 0.00 54.79 55.68 3k61 n ASP 484 Cb 0.36 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 40.68 3k61 n ASP 484 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3k61 n THR 485 N -3.82 1.21 -0.83 -3.53 -2.24 -1.22 -4.97 114.28 98.87 3k61 n THR 485 Ca -0.49 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 3k61 n THR 485 Cb 0.93 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3k61 n THR 485 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k61 n GLY 486 N 1.45 0.60 3.72 3.38 0.00 -0.52 -5.00 105.19 108.82 3k61 n GLY 486 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3k61 n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k61 s LYS 487 N -0.17 4.27 0.27 1.61 1.02 -1.26 -4.63 119.74 120.85 3k61 s LYS 487 Ca 0.00 2.22 0.03 0.00 0.02 0.00 0.00 55.97 58.24 3k61 s LYS 487 Cb 0.00 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.15 3k61 s LYS 487 CO 0.00 -0.50 0.25 -0.40 -0.92 0.00 0.00 175.35 173.78 3k61 n ASP 488 N 3.72 1.63 -0.29 2.83 5.68 -1.26 -0.55 116.55 128.31 3k61 n ASP 488 Ca 0.12 -1.88 -0.05 0.00 -0.50 0.00 0.00 54.79 52.48 3k61 n ASP 488 Cb 0.40 -0.07 0.06 0.00 -1.14 0.00 0.00 41.12 40.38 3k61 n ASP 488 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k61 h ALA 489 N 0.60 1.01 -0.42 2.12 0.00 -1.87 -1.81 119.26 118.89 3k61 h ALA 489 Ca -0.16 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 3k61 h ALA 489 Cb 0.62 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3k61 h ALA 489 CO 0.25 0.56 -0.25 1.25 0.00 0.00 0.00 179.25 181.06 3k61 h LEU 490 N 1.10 0.90 0.06 0.00 5.85 -1.96 -1.19 115.31 120.07 3k61 h LEU 490 Ca 0.27 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3k61 h LEU 490 Cb 0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3k61 h LEU 490 CO -0.04 1.10 -0.11 0.44 -0.34 0.00 0.00 178.44 179.49 3k61 h ASP 491 N 0.75 -0.29 -0.25 1.25 3.32 -1.87 -1.27 116.42 118.06 3k61 h ASP 491 Ca 0.09 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.21 3k61 h ASP 491 Cb 0.80 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 3k61 h ASP 491 CO 0.07 -0.16 0.05 0.40 -1.72 0.00 0.00 179.24 177.88 3k61 h ILE 492 N -0.21 0.89 -0.47 0.35 2.04 -1.16 -3.06 117.51 115.89 3k61 h ILE 492 Ca 0.02 -0.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 3k61 h ILE 492 Cb 0.23 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3k61 h ILE 492 CO -0.06 0.03 -0.11 0.24 0.00 0.00 0.00 178.15 178.25 3k61 h MET 493 N 0.15 0.90 -0.49 2.37 2.86 -1.10 -2.05 114.93 117.57 3k61 h MET 493 Ca 0.11 -0.34 0.07 0.00 -2.06 0.00 0.00 59.70 57.48 3k61 h MET 493 Cb 0.11 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3k61 h MET 493 CO -0.14 0.99 0.33 0.52 1.06 0.00 0.00 176.91 179.67 3k61 h MET 494 N 0.75 0.35 -0.19 1.72 2.86 -1.13 0.21 114.93 119.49 3k61 h MET 494 Ca 0.12 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3k61 h MET 494 Cb 0.66 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3k61 h MET 494 CO 0.05 0.23 0.00 1.19 1.06 0.00 0.00 176.91 179.44 3k61 n PHE 495 N -4.47 0.24 -2.97 -0.22 3.72 -1.12 -4.45 117.46 108.19 3k61 n PHE 495 Ca 0.07 -0.22 -0.36 0.00 -0.05 0.00 0.00 57.45 56.89 3k61 n PHE 495 Cb 0.30 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 3k61 n PHE 495 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3k61 s HIS 496 N -1.06 3.63 0.42 1.38 2.46 -0.79 -4.93 115.29 116.40 3k61 s HIS 496 Ca 0.21 1.53 0.13 0.00 0.47 0.00 0.00 55.06 57.39 3k61 s HIS 496 Cb 0.12 -2.73 0.99 0.00 -0.13 0.00 0.00 32.58 30.83 3k61 s HIS 496 CO 0.17 0.25 1.98 -0.56 -2.47 0.00 0.00 174.74 174.11 3k61 h GLN 497 N 3.16 0.44 0.00 2.88 3.07 -1.91 -1.93 115.11 120.83 3k61 h GLN 497 Ca -0.48 -0.03 -0.26 0.00 0.09 0.00 0.00 58.65 57.97 3k61 h GLN 497 Cb 1.19 -0.10 -0.05 0.00 0.08 0.00 0.00 27.48 28.60 3k61 h GLN 497 CO 0.65 0.29 -2.00 1.19 0.09 0.00 0.00 178.83 179.05 3k61 n PHE 498 N -4.47 0.00 0.24 0.06 3.72 -1.26 -4.65 117.46 111.09 3k61 n PHE 498 Ca 0.10 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.57 3k61 n PHE 498 Cb 0.34 -0.69 0.58 0.00 -0.94 0.00 0.00 39.48 38.77 3k61 n PHE 498 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3k61 h GLY 499 N 1.88 0.00 1.67 1.37 0.00 -1.38 -2.18 103.07 104.42 3k61 h GLY 499 Ca -0.39 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.98 3k61 h GLY 499 CO -0.03 0.00 0.13 3.45 0.00 0.00 0.00 176.54 180.08 3k61 h ASN 500 N 0.00 0.00 0.73 0.19 7.08 0.23 -1.41 115.58 122.40 3k61 h ASN 500 Ca -0.00 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.06 3k61 h ASN 500 Cb 0.26 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.48 3k61 h ASN 500 CO 0.02 0.00 -0.74 1.88 -2.08 0.00 0.00 177.43 176.51 3k61 h TYR 501 N 0.00 0.01 -0.22 4.14 0.05 -1.67 -2.27 116.97 117.01 3k61 h TYR 501 Ca 0.07 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 3k61 h TYR 501 Cb 0.32 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 3k61 h TYR 501 CO 0.00 0.74 -0.20 0.28 -1.05 0.00 0.00 178.16 177.94 3k61 h VAL 502 N 0.00 1.32 -0.71 -2.88 2.07 -1.38 -1.60 116.25 113.07 3k61 h VAL 502 Ca -0.01 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 3k61 h VAL 502 Cb 1.31 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 3k61 h VAL 502 CO 0.10 0.41 0.34 0.58 0.02 0.00 0.00 177.57 179.02 3k61 h VAL 503 N 0.21 1.23 -0.86 2.57 2.07 -1.44 0.58 116.25 120.61 3k61 h VAL 503 Ca 0.04 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.93 3k61 h VAL 503 Cb 0.74 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3k61 h VAL 503 CO 0.05 0.28 0.55 1.56 0.02 0.00 0.00 177.57 180.03 3k61 h GLN 504 N 1.00 1.03 -0.34 1.57 4.20 -1.39 -0.78 115.11 120.39 3k61 h GLN 504 Ca 0.24 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3k61 h GLN 504 Cb 0.13 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3k61 h GLN 504 CO -0.03 0.68 0.20 0.00 -0.67 0.00 0.00 178.83 179.01 3k61 h MET 506 N 0.43 0.58 -0.50 0.00 2.86 -0.29 -1.73 114.93 116.28 3k61 h MET 506 Ca 0.12 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 3k61 h MET 506 Cb 0.03 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3k61 h MET 506 CO -0.02 0.38 0.01 1.25 1.06 0.00 0.00 176.91 179.59 3k61 h LEU 507 N 0.60 0.86 -0.79 1.22 5.85 -0.95 -2.44 115.31 119.66 3k61 h LEU 507 Ca 0.29 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3k61 h LEU 507 Cb 0.23 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3k61 h LEU 507 CO -0.21 0.96 -0.15 0.74 -0.34 0.00 0.00 178.44 179.44 3k61 h THR 508 N 0.74 1.26 -0.07 1.05 2.02 -0.93 -0.67 112.91 116.32 3k61 h THR 508 Ca 0.14 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 3k61 h THR 508 Cb 0.51 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3k61 h THR 508 CO 0.02 0.41 0.04 0.40 0.37 0.00 0.00 175.52 176.76 3k61 h ILE 509 N 0.67 1.05 -0.50 3.11 2.04 -1.20 -0.60 117.51 122.08 3k61 h ILE 509 Ca 0.11 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3k61 h ILE 509 Cb 0.63 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3k61 h ILE 509 CO 0.04 0.04 0.24 0.00 0.00 0.00 0.00 178.15 178.47 3k61 h ASP 512 N 0.60 0.96 0.16 0.00 3.32 -0.77 -1.94 116.42 118.75 3k61 h ASP 512 Ca 0.10 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3k61 h ASP 512 Cb 0.61 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3k61 h ASP 512 CO 0.04 0.98 -0.08 0.00 -1.72 0.00 0.00 179.24 178.47 3k61 h ALA 513 N 1.12 -0.21 0.00 3.45 0.00 -0.89 0.12 119.26 122.86 3k61 h ALA 513 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3k61 h ALA 513 Cb 0.47 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3k61 h ALA 513 CO 0.02 -0.43 -0.10 0.28 0.00 0.00 0.00 179.25 179.02 3k61 h VAL 514 N -0.58 0.55 -0.05 0.00 2.07 -1.30 -2.44 116.25 114.50 3k61 h VAL 514 Ca -0.02 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3k61 h VAL 514 Cb 0.44 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3k61 h VAL 514 CO 0.04 0.09 0.00 -1.54 0.02 0.00 0.00 177.57 176.18 3k61 n SER 515 N -3.66 2.64 0.00 0.57 3.41 -0.73 -4.95 113.62 110.90 3k61 n SER 515 Ca -0.02 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 3k61 n SER 515 Cb 0.21 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3k61 n SER 515 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k61 n GLY 516 N 1.31 1.28 0.00 5.00 0.00 -0.92 -4.90 105.19 106.97 3k61 n GLY 516 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 3k61 n GLY 516 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k61 n ARG 517 N -2.00 0.02 -3.78 1.61 1.74 0.34 -4.64 116.66 109.95 3k61 n ARG 517 Ca 0.00 0.32 -0.14 0.00 -0.77 0.00 0.00 57.85 57.26 3k61 n ARG 517 Cb 0.00 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.80 3k61 n ARG 517 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3k61 s ARG 518 N -2.92 0.06 0.20 5.56 3.52 -0.64 -4.91 118.95 119.82 3k61 s ARG 518 Ca 0.05 0.26 -0.32 0.00 -0.13 0.00 0.00 55.73 55.59 3k61 s ARG 518 Cb 0.06 -0.13 -0.14 0.00 -1.56 0.00 0.00 34.95 33.18 3k61 s ARG 518 CO 0.16 -0.12 1.41 1.04 -0.81 0.00 0.00 175.30 176.98 3k61 n GLN 519 N 3.88 1.88 -0.00 5.12 1.13 -1.26 -4.48 117.38 123.65 3k61 n GLN 519 Ca -0.23 0.67 0.06 0.00 -1.94 0.00 0.00 57.00 55.56 3k61 n GLN 519 Cb 0.53 -2.33 -0.09 0.00 0.11 0.00 0.00 30.24 28.46 3k61 n GLN 519 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3k61 n THR 520 N 2.24 0.00 -3.17 5.09 -2.24 -1.26 -4.98 114.28 109.96 3k61 n THR 520 Ca 0.14 -0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 3k61 n THR 520 Cb 0.29 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 3k61 n THR 520 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3k61 s LYS 521 N -2.67 4.17 -0.30 -0.78 -2.85 -1.26 -0.44 119.74 115.62 3k61 s LYS 521 Ca -0.02 0.76 -0.21 0.00 -1.00 0.00 0.00 55.97 55.50 3k61 s LYS 521 Cb 0.08 -2.89 0.20 0.00 -2.06 0.00 0.00 37.83 33.16 3k61 s LYS 521 CO 0.51 0.42 1.37 -2.00 0.10 0.00 0.00 175.35 175.75 3k61 s GLU 522 N -1.97 0.04 -0.83 1.78 2.12 0.79 -4.95 118.70 115.68 3k61 s GLU 522 Ca 0.41 0.06 -0.04 0.00 0.36 0.00 0.00 54.97 55.76 3k61 s GLU 522 Cb -0.16 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.25 3k61 s GLU 522 CO 0.20 -0.01 0.59 0.41 -0.54 0.00 0.00 175.26 175.92 3k61 n GLY 523 N 2.27 0.05 3.46 -1.50 0.00 -1.26 -2.97 105.19 105.24 3k61 n GLY 523 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3k61 n GLY 523 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k61 n GLY 524 N -1.33 1.50 3.30 -0.02 0.00 -1.26 -4.97 105.19 102.41 3k61 n GLY 524 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3k61 n GLY 524 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k61 s TYR 525 N -2.71 1.91 -0.43 1.61 5.04 -1.16 -5.11 117.35 116.51 3k61 s TYR 525 Ca 0.00 -0.40 -0.21 0.00 -2.44 0.00 0.00 57.07 54.02 3k61 s TYR 525 Cb 0.00 -1.08 0.02 0.00 0.35 0.00 0.00 41.96 41.25 3k61 s TYR 525 CO 0.00 0.19 0.67 0.34 -1.34 0.00 0.00 175.55 175.41 3k61 s ASP 526 N -1.70 6.36 -0.09 4.32 -1.08 -1.26 -0.15 116.67 123.07 3k61 s ASP 526 Ca 0.08 -0.22 0.07 0.00 -0.52 0.00 0.00 52.55 51.96 3k61 s ASP 526 Cb -0.10 -2.33 0.35 0.00 -1.46 0.00 0.00 42.92 39.38 3k61 s ASP 526 CO 0.04 -0.78 1.08 1.41 0.52 0.00 0.00 175.17 177.44 3k61 n HIS 527 N 6.33 0.84 -0.28 -5.34 8.25 0.42 -4.49 115.22 120.95 3k61 n HIS 527 Ca -0.01 -0.30 0.14 0.00 -0.26 0.00 0.00 57.72 57.30 3k61 n HIS 527 Cb 0.48 -0.23 0.41 0.00 1.12 0.00 0.00 29.99 31.77 3k61 n HIS 527 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k61 h ALA 528 N 3.01 1.93 -0.11 -1.41 0.00 -1.93 0.16 119.26 120.91 3k61 h ALA 528 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3k61 h ALA 528 Cb 1.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3k61 h ALA 528 CO 0.18 -0.20 -0.09 0.97 0.00 0.00 0.00 179.25 180.10 3k61 h ILE 529 N 0.61 1.14 -0.15 0.00 2.10 -1.97 -1.67 117.51 117.57 3k61 h ILE 529 Ca 0.48 -0.58 -0.17 0.00 1.08 0.00 0.00 64.86 65.66 3k61 h ILE 529 Cb 0.90 1.15 0.01 0.00 -1.09 0.00 0.00 36.82 37.78 3k61 h ILE 529 CO -0.23 0.18 -0.57 0.28 -1.08 0.00 0.00 178.15 176.73 3k61 h SER 530 N 0.16 0.76 -0.85 2.19 0.02 -1.32 -1.77 113.55 112.75 3k61 h SER 530 Ca 0.04 -0.61 -0.01 0.00 -0.84 0.00 0.00 61.79 60.36 3k61 h SER 530 Cb 0.27 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3k61 h SER 530 CO 0.01 1.25 0.49 -0.26 -1.14 0.00 0.00 176.83 177.19 3k61 h PHE 531 N 0.32 1.15 -0.48 3.45 0.04 -1.28 -0.58 116.94 119.56 3k61 h PHE 531 Ca -0.03 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.67 3k61 h PHE 531 Cb 1.20 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 3k61 h PHE 531 CO 0.10 0.78 0.06 1.96 -0.60 0.00 0.00 178.31 180.61 3k61 h GLN 532 N 1.19 0.81 -0.06 1.51 4.20 -1.27 -0.27 115.11 121.22 3k61 h GLN 532 Ca 0.31 -0.23 0.04 0.00 0.06 0.00 0.00 58.65 58.83 3k61 h GLN 532 Cb -0.01 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 3k61 h GLN 532 CO -0.05 0.82 -0.29 0.22 -0.67 0.00 0.00 178.83 178.86 3k61 h ASP 533 N 0.68 -0.88 -0.08 1.46 1.82 -0.90 -0.94 116.42 117.58 3k61 h ASP 533 Ca 0.14 0.12 -0.08 0.00 -0.39 0.00 0.00 57.03 56.83 3k61 h ASP 533 Cb 0.42 0.37 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 3k61 h ASP 533 CO 0.01 -0.35 -0.19 -0.50 -1.61 0.00 0.00 179.24 176.60 3k61 h TRP 534 N -0.40 0.51 -0.42 0.28 6.55 -0.87 -2.57 115.95 119.03 3k61 h TRP 534 Ca 0.08 -0.09 -0.07 0.00 0.95 0.00 0.00 58.89 59.76 3k61 h TRP 534 Cb 0.52 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.67 3k61 h TRP 534 CO -0.35 0.64 -0.01 1.25 -1.05 0.00 0.00 178.44 178.92 3k61 h LEU 535 N 0.42 0.73 -0.70 -4.49 5.85 -0.79 -2.25 115.31 114.09 3k61 h LEU 535 Ca 0.07 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.49 3k61 h LEU 535 Cb 0.58 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3k61 h LEU 535 CO 0.04 0.87 0.46 0.50 -0.34 0.00 0.00 178.44 179.97 3k61 h LYS 536 N 0.58 0.92 -0.08 1.25 3.64 -0.96 0.23 116.57 122.15 3k61 h LYS 536 Ca 0.12 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3k61 h LYS 536 Cb 0.50 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3k61 h LYS 536 CO 0.02 0.61 0.01 0.87 -2.27 0.00 0.00 179.45 178.68 3k61 h LYS 537 N 0.94 0.03 -0.64 1.90 1.57 -1.35 0.34 116.57 119.36 3k61 h LYS 537 Ca 0.26 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3k61 h LYS 537 Cb -0.10 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3k61 h LYS 537 CO -0.06 0.02 0.18 -0.07 -0.57 0.00 0.00 179.45 178.95 3k61 h LEU 538 N 0.03 0.93 -0.37 2.94 3.38 -0.96 -1.37 115.31 119.90 3k61 h LEU 538 Ca 0.03 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3k61 h LEU 538 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3k61 h LEU 538 CO -0.05 0.89 -0.13 -0.74 0.09 0.00 0.00 178.44 178.49 3k61 h HIS 539 N 0.96 0.84 -0.51 1.13 2.76 -0.34 -0.20 115.15 119.80 3k61 h HIS 539 Ca 0.21 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3k61 h HIS 539 Cb 0.31 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 3k61 h HIS 539 CO 0.02 0.91 0.30 1.03 -1.30 0.00 0.00 177.93 178.89 3k61 h SER 540 N 0.53 0.61 -0.18 3.26 0.87 -0.70 0.24 113.55 118.18 3k61 h SER 540 Ca 0.09 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3k61 h SER 540 Cb 0.66 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3k61 h SER 540 CO 0.05 0.49 0.07 -0.09 -0.53 0.00 0.00 176.83 176.82 3k61 h ARG 541 N 0.68 0.28 -0.61 2.24 9.65 -1.10 -1.66 114.38 123.86 3k61 h ARG 541 Ca 0.18 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.96 3k61 h ARG 541 Cb -0.00 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 3k61 h ARG 541 CO -0.03 0.36 0.17 0.28 2.80 0.00 0.00 179.97 183.55 3k61 h VAL 542 N 0.13 1.24 0.06 0.20 2.07 -0.90 -1.49 116.25 117.56 3k61 h VAL 542 Ca 0.06 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3k61 h VAL 542 Cb 0.19 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3k61 h VAL 542 CO -0.00 0.32 -0.03 0.74 0.02 0.00 0.00 177.57 178.62 3k61 h THR 543 N 0.90 0.95 -0.12 2.57 2.02 -0.85 -1.30 112.91 117.08 3k61 h THR 543 Ca 0.20 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 3k61 h THR 543 Cb 0.29 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3k61 h THR 543 CO -0.00 0.01 -0.24 0.11 0.37 0.00 0.00 175.52 175.77 3k61 h LYS 544 N -0.09 0.21 -0.44 6.66 1.57 -0.97 -3.00 116.57 120.51 3k61 h LYS 544 Ca -0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3k61 h LYS 544 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3k61 h LYS 544 CO 0.01 0.45 0.03 0.39 -0.57 0.00 0.00 179.45 179.76 3k61 n GLU 545 N -4.18 3.71 -0.25 3.15 -0.58 -0.59 -4.72 120.64 117.17 3k61 n GLU 545 Ca -0.01 -3.01 0.04 0.00 -0.42 0.00 0.00 57.16 53.75 3k61 n GLU 545 Cb 0.34 -2.05 0.27 0.00 -0.57 0.00 0.00 31.44 29.43 3k61 n GLU 545 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 3k61 h ARG 546 N 2.68 0.94 0.02 3.49 0.11 -1.09 -0.59 114.38 119.94 3k61 h ARG 546 Ca 0.04 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 3k61 h ARG 546 Cb 1.77 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 32.64 3k61 h ARG 546 CO 0.40 0.62 -0.01 0.45 0.10 0.00 0.00 179.97 181.53 3k61 h HIS 547 N 0.97 -0.02 -0.35 4.08 3.86 -1.86 0.13 115.15 121.95 3k61 h HIS 547 Ca 0.34 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.47 3k61 h HIS 547 Cb 0.13 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 3k61 h HIS 547 CO -0.00 0.17 -0.14 0.00 0.86 0.00 0.00 177.93 178.83 3k61 h ARG 548 N -0.22 0.63 -0.15 2.45 3.08 -1.87 -3.08 114.38 115.22 3k61 h ARG 548 Ca -0.00 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 3k61 h ARG 548 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3k61 h ARG 548 CO 0.00 0.75 -0.37 -0.07 -1.07 0.00 0.00 179.97 179.21 3k61 h LEU 549 N 0.57 0.34 -0.51 3.04 3.38 -0.91 -2.80 115.31 118.42 3k61 h LEU 549 Ca 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3k61 h LEU 549 Cb 0.57 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3k61 h LEU 549 CO 0.04 0.68 0.00 -1.54 0.09 0.00 0.00 178.44 177.71 3k61 n SER 550 N -4.05 0.51 0.28 -0.43 3.41 0.02 -2.05 113.62 111.30 3k61 n SER 550 Ca -0.01 0.62 0.17 0.00 -0.26 0.00 0.00 58.87 59.39 3k61 n SER 550 Cb 0.46 -0.73 0.77 0.00 -0.26 0.00 0.00 64.21 64.45 3k61 n SER 550 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3k61 h ARG 551 N 0.00 0.00 -6.58 4.33 3.08 -1.57 -3.44 114.38 110.20 3k61 h ARG 551 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 3k61 h ARG 551 Cb 0.35 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.19 3k61 h ARG 551 CO 0.00 0.05 -0.80 -0.06 -1.07 0.00 0.00 179.97 178.08 3k61 s PHE 552 N -3.85 2.56 0.23 3.04 0.08 -0.87 -5.03 117.98 114.14 3k61 s PHE 552 Ca -0.01 -0.25 -0.07 0.00 0.12 0.00 0.00 56.93 56.72 3k61 s PHE 552 Cb 0.11 -1.45 0.37 0.00 -0.57 0.00 0.00 43.02 41.47 3k61 s PHE 552 CO 0.53 0.27 1.73 0.77 -0.10 0.00 0.00 175.22 178.42 3k61 h SER 553 N 4.44 0.19 -0.53 1.36 0.02 -1.87 -0.80 113.55 116.34 3k61 h SER 553 Ca -0.48 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.53 3k61 h SER 553 Cb 1.16 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 3k61 h SER 553 CO 0.48 0.09 0.18 0.77 -1.14 0.00 0.00 176.83 177.20 3k61 h SER 554 N 0.38 0.77 -0.18 3.07 4.64 -1.96 -0.80 113.55 119.47 3k61 h SER 554 Ca 0.36 -0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.51 3k61 h SER 554 Cb 0.52 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 3k61 h SER 554 CO -0.38 0.76 -0.00 1.23 -0.87 0.00 0.00 176.83 177.57 3k61 h GLY 555 N 0.73 0.17 1.47 -0.77 0.00 -1.52 -1.51 103.07 101.65 3k61 h GLY 555 Ca 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 3k61 h GLY 555 CO -0.01 -0.04 0.18 0.50 0.00 0.00 0.00 176.54 177.17 3k61 h LYS 556 N 0.05 0.68 -0.41 4.80 1.57 -0.98 -1.34 116.57 120.93 3k61 h LYS 556 Ca 0.09 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3k61 h LYS 556 Cb 0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3k61 h LYS 556 CO -0.15 0.57 0.18 0.87 -0.57 0.00 0.00 179.45 180.35 3k61 h LYS 557 N 0.67 0.61 -0.47 3.15 1.57 -0.70 -1.64 116.57 119.76 3k61 h LYS 557 Ca 0.16 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 3k61 h LYS 557 Cb 0.16 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3k61 h LYS 557 CO -0.01 0.55 -0.05 0.52 -0.57 0.00 0.00 179.45 179.88 3k61 h MET 558 N 0.53 0.87 -0.45 3.15 2.86 -0.86 0.48 114.93 121.51 3k61 h MET 558 Ca 0.14 -0.30 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3k61 h MET 558 Cb 0.16 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3k61 h MET 558 CO -0.01 0.94 0.25 0.82 1.06 0.00 0.00 176.91 179.96 3k61 h ILE 559 N 0.72 1.01 -0.54 -1.22 2.04 -1.22 -1.72 117.51 116.58 3k61 h ILE 559 Ca 0.13 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 3k61 h ILE 559 Cb 0.58 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3k61 h ILE 559 CO 0.03 0.09 -0.10 -0.08 0.00 0.00 0.00 178.15 178.10 3k61 h GLU 560 N 0.50 1.00 -0.38 2.37 4.81 -1.10 -0.61 114.58 121.17 3k61 h GLU 560 Ca 0.18 -0.36 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3k61 h GLU 560 Cb 0.05 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3k61 h GLU 560 CO -0.10 1.04 0.11 1.15 -0.73 0.00 0.00 179.01 180.48 3k61 h THR 561 N 0.90 0.86 -0.21 0.32 2.02 -0.56 -0.11 112.91 116.12 3k61 h THR 561 Ca 0.14 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.12 3k61 h THR 561 Cb 0.65 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3k61 h THR 561 CO 0.05 0.05 -0.35 -0.07 0.37 0.00 0.00 175.52 175.56 3k61 h LEU 562 N 0.25 0.47 -0.55 2.58 3.38 -1.07 -2.91 115.31 117.45 3k61 h LEU 562 Ca 0.18 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3k61 h LEU 562 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3k61 h LEU 562 CO -0.20 0.79 -0.22 0.00 0.09 0.00 0.00 178.44 178.90 3k61 h ALA 563 N 1.24 0.75 0.00 1.53 0.00 -0.59 -2.78 119.26 119.40 3k61 h ALA 563 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3k61 h ALA 563 Cb 0.80 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3k61 h ALA 563 CO 0.06 0.66 0.00 -0.91 0.00 0.00 0.00 179.25 179.07 3k61 h ASN 564 N 0.81 0.00 0.19 0.00 2.35 -0.91 -3.14 115.58 114.88 3k61 h ASN 564 Ca 0.11 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.59 3k61 h ASN 564 Cb 0.78 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.17 3k61 h ASN 564 CO 0.06 0.00 -1.22 0.25 -1.65 0.00 0.00 177.43 174.88 3k61 h LEU 565 N 0.00 0.63 -0.89 1.61 5.85 -1.30 -3.34 115.31 117.88 3k61 h LEU 565 Ca 0.00 -0.93 0.24 0.00 0.84 0.00 0.00 57.88 58.03 3k61 h LEU 565 Cb 0.45 -0.21 -0.15 0.00 0.37 0.00 0.00 40.66 41.12 3k61 h LEU 565 CO 0.00 1.58 0.13 0.03 -0.34 0.00 0.00 178.44 179.84 3k61 h ARG 566 N -0.12 0.12 0.00 1.25 3.08 -1.47 -3.52 114.38 113.72 3k61 h ARG 566 Ca -0.22 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3k61 h ARG 566 Cb 1.91 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.93 3k61 h ARG 566 CO 0.20 0.08 0.00 -1.13 -1.07 0.00 0.00 179.97 178.04