#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ik3 s SER 229 N 0.00 0.06 0.45 1.61 0.01 -1.26 -5.07 113.70 109.50 3ik3 s SER 229 Ca 0.00 -0.58 0.21 0.00 1.31 0.00 0.00 55.95 56.89 3ik3 s SER 229 Cb 0.00 0.36 1.20 0.00 0.21 0.00 0.00 66.02 67.79 3ik3 s SER 229 CO 0.00 -0.74 1.87 -0.65 0.41 0.00 0.00 173.24 174.13 3ik3 h PRO 230 N 2.71 0.28 -0.41 12.44 0.11 -2.12 -0.76 132.00 144.25 3ik3 h PRO 230 Ca -0.34 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 3ik3 h PRO 230 Cb 1.21 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3ik3 h PRO 230 CO 0.54 0.18 0.06 -1.71 -0.21 0.00 0.00 178.00 176.86 3ik3 n ASN 231 N -4.45 3.86 -4.76 -2.05 4.05 -1.26 -4.99 115.26 105.66 3ik3 n ASN 231 Ca 0.18 -3.25 -0.40 0.00 0.45 0.00 0.00 54.58 51.57 3ik3 n ASN 231 Cb 0.75 -0.62 -0.04 0.00 1.23 0.00 0.00 39.78 41.10 3ik3 n ASN 231 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3ik3 s TYR 232 N -2.97 3.41 -0.04 1.20 5.04 -0.29 -5.04 117.35 118.65 3ik3 s TYR 232 Ca 0.46 1.62 -0.00 0.00 -2.44 0.00 0.00 57.07 56.71 3ik3 s TYR 232 Cb 0.38 -3.39 0.03 0.00 0.35 0.00 0.00 41.96 39.33 3ik3 s TYR 232 CO 0.08 -0.94 0.02 0.34 -1.34 0.00 0.00 175.55 173.71 3ik3 s ASP 233 N -0.80 0.71 0.56 4.32 3.68 -1.26 -4.93 116.67 118.95 3ik3 s ASP 233 Ca 0.46 0.00 0.26 0.00 2.13 0.00 0.00 52.55 55.41 3ik3 s ASP 233 Cb -0.34 -0.21 1.65 0.00 -1.45 0.00 0.00 42.92 42.57 3ik3 s ASP 233 CO 0.44 -0.15 2.21 0.07 0.13 0.00 0.00 175.17 177.86 3ik3 h LYS 234 N 7.69 0.00 0.00 4.34 2.10 -2.03 -2.62 116.57 126.06 3ik3 h LYS 234 Ca -0.33 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.25 3ik3 h LYS 234 Cb 1.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 3ik3 h LYS 234 CO 0.37 0.02 -1.40 0.91 -2.00 0.00 0.00 179.45 177.35 3ik3 n TRP 235 N -3.98 0.75 -2.57 0.07 7.02 -1.26 -4.94 117.44 112.51 3ik3 n TRP 235 Ca -0.03 0.23 -0.41 0.00 -1.02 0.00 0.00 57.50 56.27 3ik3 n TRP 235 Cb 0.10 -0.92 -0.04 0.00 -2.42 0.00 0.00 31.31 28.03 3ik3 n TRP 235 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3ik3 s GLU 236 N -3.20 4.59 0.26 -0.99 0.41 -0.99 -0.66 118.70 118.12 3ik3 s GLU 236 Ca -0.03 1.63 0.12 0.00 -0.41 0.00 0.00 54.97 56.27 3ik3 s GLU 236 Cb 0.10 -3.34 -0.05 0.00 -1.78 0.00 0.00 34.13 29.06 3ik3 s GLU 236 CO 0.82 0.03 -0.18 -1.64 -0.49 0.00 0.00 175.26 173.80 3ik3 s MET 237 N 0.14 1.72 -0.01 1.61 -1.94 0.35 -4.87 119.30 116.30 3ik3 s MET 237 Ca 0.51 -1.69 -0.30 0.00 -1.71 0.00 0.00 55.69 52.50 3ik3 s MET 237 Cb -0.27 -1.83 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 3ik3 s MET 237 CO 0.32 0.35 1.07 -1.21 -0.01 0.00 0.00 175.02 175.53 3ik3 s GLU 238 N -3.39 4.47 0.45 2.03 0.41 -1.26 -4.49 118.70 116.92 3ik3 s GLU 238 Ca 0.29 1.53 0.25 0.00 -0.41 0.00 0.00 54.97 56.62 3ik3 s GLU 238 Cb -0.06 -3.46 1.27 0.00 -1.78 0.00 0.00 34.13 30.10 3ik3 s GLU 238 CO 0.15 -0.20 1.77 0.00 -0.49 0.00 0.00 175.26 176.49 3ik3 h ARG 239 N 6.95 0.24 0.00 1.61 3.08 -1.96 0.21 114.38 124.52 3ik3 h ARG 239 Ca -0.38 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3ik3 h ARG 239 Cb 1.20 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3ik3 h ARG 239 CO 0.80 0.16 0.00 2.41 -1.07 0.00 0.00 179.97 182.27 3ik3 n THR 240 N -4.49 1.02 0.40 2.04 -1.04 -1.26 -1.38 114.28 109.56 3ik3 n THR 240 Ca 0.26 0.62 0.12 0.00 -2.04 0.00 0.00 64.05 63.01 3ik3 n THR 240 Cb 1.02 -1.60 0.50 0.00 -1.82 0.00 0.00 70.33 68.44 3ik3 n THR 240 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3ik3 h ASP 241 N 0.00 0.00 -3.11 8.00 3.32 -0.96 -3.43 116.42 120.24 3ik3 h ASP 241 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3ik3 h ASP 241 Cb 0.08 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.29 3ik3 h ASP 241 CO 0.00 0.00 -0.84 -0.63 -1.72 0.00 0.00 179.24 176.05 3ik3 s ILE 242 N -3.34 2.22 -0.31 0.35 -1.09 -0.48 -2.41 121.20 116.15 3ik3 s ILE 242 Ca 0.04 -0.89 -0.29 0.00 -2.23 0.00 0.00 60.65 57.29 3ik3 s ILE 242 Cb 0.09 -1.94 0.01 0.00 -1.58 0.00 0.00 42.46 39.05 3ik3 s ILE 242 CO 0.41 0.53 1.10 -0.89 -1.23 0.00 0.00 174.94 174.86 3ik3 s THR 243 N 1.29 4.48 0.06 2.92 2.01 -0.37 -4.89 115.64 121.15 3ik3 s THR 243 Ca 0.05 1.72 -0.23 0.00 0.31 0.00 0.00 61.69 63.53 3ik3 s THR 243 Cb -0.13 -4.37 -0.06 0.00 0.01 0.00 0.00 72.50 67.95 3ik3 s THR 243 CO -0.11 -0.44 0.71 -0.04 -0.69 0.00 0.00 174.62 174.04 3ik3 s MET 244 N 3.66 4.44 0.00 4.92 -1.94 -1.26 -1.25 119.30 127.86 3ik3 s MET 244 Ca 0.47 0.97 0.00 0.00 -1.71 0.00 0.00 55.69 55.42 3ik3 s MET 244 Cb -0.13 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.39 3ik3 s MET 244 CO 0.15 0.40 0.00 1.63 -0.01 0.00 0.00 175.02 177.20 3ik3 n LYS 245 N 2.41 2.21 -1.89 2.03 5.02 0.32 -4.99 118.16 123.29 3ik3 n LYS 245 Ca -0.05 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.93 3ik3 n LYS 245 Cb 0.50 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.53 3ik3 n LYS 245 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3ik3 s HIS 246 N 3.56 3.39 0.21 2.13 -3.43 -1.26 -4.64 115.29 115.25 3ik3 s HIS 246 Ca 0.00 1.38 -0.30 0.00 -0.80 0.00 0.00 55.06 55.34 3ik3 s HIS 246 Cb 0.00 -2.81 -0.08 0.00 -1.43 0.00 0.00 32.58 28.26 3ik3 s HIS 246 CO 0.00 -0.84 1.18 0.21 -2.00 0.00 0.00 174.74 173.30 3ik3 s LYS 247 N -4.85 4.51 0.27 -0.38 2.20 -1.26 -0.24 119.74 119.98 3ik3 s LYS 247 Ca 0.57 1.88 -0.29 0.00 -0.36 0.00 0.00 55.97 57.77 3ik3 s LYS 247 Cb -0.12 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 32.89 3ik3 s LYS 247 CO 0.49 -0.03 1.00 -0.51 -0.36 0.00 0.00 175.35 175.93 3ik3 s LEU 248 N -0.57 4.58 -1.69 5.43 1.43 -0.41 -4.15 118.68 123.30 3ik3 s LEU 248 Ca 0.51 2.06 -0.01 0.00 -1.03 0.00 0.00 54.13 55.65 3ik3 s LEU 248 Cb -0.33 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.23 3ik3 s LEU 248 CO 0.38 0.02 0.18 0.61 0.23 0.00 0.00 176.35 177.77 3ik3 n GLY 249 N 1.28 -0.51 2.57 -3.19 0.00 -1.26 -2.10 105.19 101.98 3ik3 n GLY 249 Ca -0.01 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3ik3 n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik3 n GLY 250 N -1.15 1.51 0.00 -0.02 0.00 -1.26 -2.04 105.19 102.22 3ik3 n GLY 250 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3ik3 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik3 n GLY 251 N -0.51 0.35 0.13 -0.02 0.00 -0.89 -4.96 105.19 99.28 3ik3 n GLY 251 Ca -0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.93 3ik3 n GLY 251 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik3 n GLN 252 N -1.90 0.23 -0.03 1.61 10.64 -0.87 -0.88 117.38 126.19 3ik3 n GLN 252 Ca 0.00 0.36 0.12 0.00 -1.83 0.00 0.00 57.00 55.65 3ik3 n GLN 252 Cb 0.00 -1.87 0.13 0.00 -0.86 0.00 0.00 30.24 27.64 3ik3 n GLN 252 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3ik3 n TYR 253 N -2.28 0.07 -2.71 2.61 4.02 -1.26 -4.81 117.16 112.80 3ik3 n TYR 253 Ca 0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3ik3 n TYR 253 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 3ik3 n TYR 253 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ik3 n GLY 254 N 1.37 0.31 2.53 2.72 0.00 -0.06 -4.29 105.19 107.76 3ik3 n GLY 254 Ca 0.15 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 3ik3 n GLY 254 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ik3 n GLU 255 N 5.58 3.65 -4.81 1.61 -0.58 -1.26 -4.68 120.64 120.15 3ik3 n GLU 255 Ca 0.00 -2.74 -0.32 0.00 -0.42 0.00 0.00 57.16 53.68 3ik3 n GLU 255 Cb 0.00 -2.91 -0.16 0.00 -0.57 0.00 0.00 31.44 27.79 3ik3 n GLU 255 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ik3 s VAL 256 N 1.53 2.15 0.04 2.62 1.01 -1.26 -1.28 120.40 125.21 3ik3 s VAL 256 Ca 0.57 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3ik3 s VAL 256 Cb 0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3ik3 s VAL 256 CO -0.07 0.55 -0.25 -0.31 0.00 0.00 0.00 175.10 175.02 3ik3 s TYR 257 N 0.67 2.20 0.42 5.22 1.51 0.73 -1.28 117.35 126.81 3ik3 s TYR 257 Ca -0.10 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.32 3ik3 s TYR 257 Cb -0.16 -1.32 -0.09 0.00 -0.11 0.00 0.00 41.96 40.29 3ik3 s TYR 257 CO 0.01 0.11 1.07 -2.00 -1.11 0.00 0.00 175.55 173.64 3ik3 s GLU 258 N -1.21 4.04 0.33 -0.62 2.12 0.66 0.01 118.70 124.04 3ik3 s GLU 258 Ca 0.11 1.56 -0.07 0.00 0.36 0.00 0.00 54.97 56.92 3ik3 s GLU 258 Cb -0.10 -2.47 0.01 0.00 0.26 0.00 0.00 34.13 31.84 3ik3 s GLU 258 CO 0.02 -0.26 0.55 0.20 -0.54 0.00 0.00 175.26 175.23 3ik3 s GLY 259 N -1.55 1.06 -0.06 -1.50 0.00 0.78 -0.52 107.32 105.52 3ik3 s GLY 259 Ca 0.60 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 44.11 3ik3 s GLY 259 CO 0.28 -0.77 -0.10 0.14 0.00 0.00 0.00 173.10 172.65 3ik3 s VAL 260 N -3.07 0.97 -0.79 1.40 1.01 -0.38 -0.33 120.40 119.21 3ik3 s VAL 260 Ca 0.26 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.62 3ik3 s VAL 260 Cb -0.02 -0.92 0.05 0.00 0.00 0.00 0.00 36.38 35.50 3ik3 s VAL 260 CO 0.16 0.32 1.22 0.86 0.00 0.00 0.00 175.10 177.66 3ik3 s TRP 261 N 0.83 2.50 0.11 5.22 -0.00 0.26 -1.23 118.94 126.63 3ik3 s TRP 261 Ca -0.12 -0.45 -0.20 0.00 -0.00 0.00 0.00 56.10 55.33 3ik3 s TRP 261 Cb -0.15 -4.53 -0.08 0.00 -0.00 0.00 0.00 33.47 28.71 3ik3 s TRP 261 CO 0.02 -1.89 1.72 0.87 -0.00 0.00 0.00 176.95 177.67 3ik3 h LYS 262 N 9.76 0.27 -0.65 5.86 1.57 -1.78 -0.14 116.57 131.47 3ik3 h LYS 262 Ca -0.15 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.77 3ik3 h LYS 262 Cb 1.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 3ik3 h LYS 262 CO 1.27 0.24 0.45 -0.22 -0.57 0.00 0.00 179.45 180.63 3ik3 h LYS 263 N 0.22 0.13 -0.17 3.15 3.64 -1.91 -2.32 116.57 119.31 3ik3 h LYS 263 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3ik3 h LYS 263 Cb 0.05 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3ik3 h LYS 263 CO -0.01 0.09 0.00 0.66 -2.27 0.00 0.00 179.45 177.91 3ik3 n TYR 264 N -4.40 0.23 -3.60 1.91 4.02 -0.76 -4.99 117.16 109.57 3ik3 n TYR 264 Ca 0.12 -0.50 -0.27 0.00 -0.01 0.00 0.00 57.90 57.24 3ik3 n TYR 264 Cb 0.63 -0.04 0.01 0.00 -0.02 0.00 0.00 39.34 39.92 3ik3 n TYR 264 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3ik3 n SER 265 N -0.02 -4.55 -4.33 7.72 7.64 -0.14 -4.93 113.62 115.01 3ik3 n SER 265 Ca 0.06 -0.57 -0.34 0.00 1.01 0.00 0.00 58.87 59.02 3ik3 n SER 265 Cb 0.34 -3.68 -0.14 0.00 -1.01 0.00 0.00 64.21 59.71 3ik3 n SER 265 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3ik3 s LEU 266 N -6.90 2.83 0.08 -3.43 2.96 -1.08 -4.96 118.68 108.19 3ik3 s LEU 266 Ca 0.52 -0.37 -0.31 0.00 -0.22 0.00 0.00 54.13 53.76 3ik3 s LEU 266 Cb -0.26 -1.69 -0.07 0.00 0.50 0.00 0.00 46.19 44.67 3ik3 s LEU 266 CO 0.64 0.05 1.31 -0.89 -1.32 0.00 0.00 176.35 176.14 3ik3 s THR 267 N 1.06 3.64 0.22 3.68 2.01 -1.26 -0.58 115.64 124.40 3ik3 s THR 267 Ca 0.00 1.17 0.05 0.00 0.31 0.00 0.00 61.69 63.22 3ik3 s THR 267 Cb -0.15 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 3ik3 s THR 267 CO -0.01 0.08 -0.06 0.68 -0.69 0.00 0.00 174.62 174.63 3ik3 s VAL 268 N 1.17 1.30 -0.04 3.82 -7.23 0.55 -1.50 120.40 118.47 3ik3 s VAL 268 Ca 0.62 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 3ik3 s VAL 268 Cb -0.33 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 3ik3 s VAL 268 CO 0.29 -0.46 -0.08 0.00 -0.31 0.00 0.00 175.10 174.55 3ik3 s ALA 269 N -3.24 2.96 -0.11 1.32 0.00 -0.22 -0.15 121.76 122.30 3ik3 s ALA 269 Ca 0.25 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 3ik3 s ALA 269 Cb 0.04 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 22.02 3ik3 s ALA 269 CO 0.07 0.59 -0.08 0.08 0.00 0.00 0.00 175.76 176.42 3ik3 s VAL 270 N -0.87 1.04 -0.03 0.00 1.01 0.10 -2.24 120.40 119.42 3ik3 s VAL 270 Ca 0.14 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 3ik3 s VAL 270 Cb -0.11 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 3ik3 s VAL 270 CO 0.03 0.37 0.45 -0.75 0.00 0.00 0.00 175.10 175.21 3ik3 s LYS 271 N 1.70 4.09 0.13 2.72 2.20 -0.39 -0.20 119.74 130.00 3ik3 s LYS 271 Ca 0.05 0.47 0.06 0.00 -0.36 0.00 0.00 55.97 56.18 3ik3 s LYS 271 Cb -0.13 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3ik3 s LYS 271 CO -0.08 0.52 -0.13 0.95 -0.36 0.00 0.00 175.35 176.25 3ik3 s THR 272 N -0.56 1.32 -0.14 3.43 -4.23 -0.40 -1.41 115.64 113.64 3ik3 s THR 272 Ca 0.25 -1.81 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3ik3 s THR 272 Cb -0.17 -1.61 0.05 0.00 1.34 0.00 0.00 72.50 72.11 3ik3 s THR 272 CO 0.13 -0.49 0.06 -0.22 -0.54 0.00 0.00 174.62 173.56 3ik3 s LEU 273 N -2.64 0.55 0.99 4.79 2.96 -0.94 -4.78 118.68 119.61 3ik3 s LEU 273 Ca 0.11 -0.47 -0.16 0.00 -0.22 0.00 0.00 54.13 53.40 3ik3 s LEU 273 Cb -0.03 -0.34 0.19 0.00 0.50 0.00 0.00 46.19 46.51 3ik3 s LEU 273 CO 0.03 -0.30 1.24 -0.54 -1.32 0.00 0.00 176.35 175.46 3ik3 s LYS 274 N 2.05 0.48 1.08 1.98 -0.14 -1.26 -1.59 119.74 122.34 3ik3 s LYS 274 Ca 0.02 -0.18 -0.17 0.00 -1.36 0.00 0.00 55.97 54.29 3ik3 s LYS 274 Cb -0.15 -1.81 0.11 0.00 -1.68 0.00 0.00 37.83 34.30 3ik3 s LYS 274 CO -0.07 -2.56 0.22 -1.91 -0.76 0.00 0.00 175.35 170.27 3ik3 n GLU 275 N -3.92 -1.37 -4.20 1.68 2.13 -1.26 -4.28 120.64 109.43 3ik3 n GLU 275 Ca 0.13 -0.38 -0.33 0.00 0.66 0.00 0.00 57.16 57.25 3ik3 n GLU 275 Cb 0.60 -1.80 -0.07 0.00 0.27 0.00 0.00 31.44 30.44 3ik3 n GLU 275 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3ik3 n ASP 276 N -1.98 -0.06 -4.78 4.31 5.68 -1.26 -4.99 116.55 113.48 3ik3 n ASP 276 Ca 0.02 -1.22 -0.23 0.00 -0.50 0.00 0.00 54.79 52.87 3ik3 n ASP 276 Cb 0.59 -1.50 -0.06 0.00 -1.14 0.00 0.00 41.12 39.01 3ik3 n ASP 276 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3ik3 s THR 277 N -4.17 2.89 -2.08 2.12 -4.23 -1.26 -5.01 115.64 103.91 3ik3 s THR 277 Ca 0.10 -1.59 0.13 0.00 -1.18 0.00 0.00 61.69 59.15 3ik3 s THR 277 Cb -0.05 -3.01 0.33 0.00 1.34 0.00 0.00 72.50 71.10 3ik3 s THR 277 CO 0.94 -0.11 1.34 0.23 -0.54 0.00 0.00 174.62 176.48 3ik3 n MET 278 N -1.27 1.65 -0.13 3.99 2.81 -1.26 -4.28 117.12 118.63 3ik3 n MET 278 Ca -0.01 -1.00 0.07 0.00 -1.81 0.00 0.00 57.70 54.95 3ik3 n MET 278 Cb 0.62 -1.28 0.14 0.00 -0.71 0.00 0.00 33.22 31.99 3ik3 n MET 278 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3ik3 n GLU 279 N 0.28 2.03 0.11 0.03 1.02 -1.26 -4.69 120.64 118.16 3ik3 n GLU 279 Ca 0.12 -1.85 -0.13 0.00 -0.02 0.00 0.00 57.16 55.28 3ik3 n GLU 279 Cb 0.26 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 3ik3 n GLU 279 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ik3 h VAL 280 N 2.82 0.53 -0.62 2.62 2.07 -1.98 -0.33 116.25 121.37 3ik3 h VAL 280 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3ik3 h VAL 280 Cb 0.73 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3ik3 h VAL 280 CO 0.00 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 177.56 3ik3 h GLU 281 N -0.40 0.52 -0.23 1.57 4.39 -1.95 0.83 114.58 119.32 3ik3 h GLU 281 Ca 0.02 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 3ik3 h GLU 281 Cb 0.42 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3ik3 h GLU 281 CO -0.11 0.35 -0.32 1.49 -1.16 0.00 0.00 179.01 179.26 3ik3 h GLU 282 N 0.54 0.47 -0.17 2.33 4.57 -1.76 0.10 114.58 120.66 3ik3 h GLU 282 Ca 0.29 -0.20 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 3ik3 h GLU 282 Cb 0.26 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3ik3 h GLU 282 CO -0.23 0.73 -0.18 0.35 -1.18 0.00 0.00 179.01 178.50 3ik3 h PHE 283 N 0.40 0.51 0.00 0.92 3.57 -0.56 -0.94 116.94 120.84 3ik3 h PHE 283 Ca 0.05 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 3ik3 h PHE 283 Cb 0.76 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3ik3 h PHE 283 CO 0.02 0.81 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.56 3ik3 h LEU 284 N 0.06 0.00 -0.48 0.59 3.38 -0.66 -2.00 115.31 116.20 3ik3 h LEU 284 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3ik3 h LEU 284 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3ik3 h LEU 284 CO 0.04 0.28 -0.39 0.50 0.09 0.00 0.00 178.44 178.96 3ik3 h LYS 285 N 0.00 0.82 -0.60 1.13 3.64 -0.84 -2.34 116.57 118.38 3ik3 h LYS 285 Ca -0.00 -0.43 0.01 0.00 -1.27 0.00 0.00 60.65 58.95 3ik3 h LYS 285 Cb 0.51 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3ik3 h LYS 285 CO 0.04 1.06 0.40 1.49 -2.27 0.00 0.00 179.45 180.17 3ik3 h GLU 286 N 0.67 0.79 -0.57 1.90 4.81 -0.55 -1.69 114.58 119.94 3ik3 h GLU 286 Ca 0.06 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3ik3 h GLU 286 Cb 0.96 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 3ik3 h GLU 286 CO 0.09 0.52 0.35 0.00 -0.73 0.00 0.00 179.01 179.24 3ik3 h ALA 287 N 1.22 0.73 -0.37 2.92 0.00 -1.24 -2.06 119.26 120.46 3ik3 h ALA 287 Ca 0.22 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ik3 h ALA 287 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3ik3 h ALA 287 CO -0.05 0.20 0.22 0.00 0.00 0.00 0.00 179.25 179.62 3ik3 h ALA 288 N 1.18 0.47 -0.68 0.00 0.00 -1.14 -1.31 119.26 117.77 3ik3 h ALA 288 Ca 0.21 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3ik3 h ALA 288 Cb -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3ik3 h ALA 288 CO -0.04 -0.13 0.41 0.28 0.00 0.00 0.00 179.25 179.77 3ik3 h VAL 289 N 0.44 1.04 -0.03 0.00 2.07 -0.88 -2.95 116.25 115.94 3ik3 h VAL 289 Ca 0.15 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 3ik3 h VAL 289 Cb 0.01 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 3ik3 h VAL 289 CO -0.07 0.14 -0.57 0.24 0.02 0.00 0.00 177.57 177.33 3ik3 h MET 290 N 0.78 0.08 -0.01 1.57 2.07 -0.72 -0.23 114.93 118.48 3ik3 h MET 290 Ca 0.29 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.87 3ik3 h MET 290 Cb 0.09 0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 29.82 3ik3 h MET 290 CO -0.14 0.63 0.05 0.87 1.07 0.00 0.00 176.91 179.40 3ik3 h LYS 291 N 0.06 0.00 -0.02 1.72 1.57 -1.08 -2.37 116.57 116.45 3ik3 h LYS 291 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ik3 h LYS 291 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3ik3 h LYS 291 CO 0.08 0.00 -0.11 0.39 -0.57 0.00 0.00 179.45 179.24 3ik3 n GLU 292 N -3.20 1.88 -3.94 3.15 -0.58 -0.10 -4.90 120.64 112.95 3ik3 n GLU 292 Ca -0.03 -1.45 -0.35 0.00 -0.42 0.00 0.00 57.16 54.92 3ik3 n GLU 292 Cb 0.12 -1.47 -0.14 0.00 -0.57 0.00 0.00 31.44 29.38 3ik3 n GLU 292 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3ik3 s ILE 293 N -2.12 2.93 -0.15 -3.67 1.01 -0.89 -5.05 121.20 113.26 3ik3 s ILE 293 Ca 0.28 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 3ik3 s ILE 293 Cb 0.20 -2.55 0.05 0.00 0.01 0.00 0.00 42.46 40.17 3ik3 s ILE 293 CO 0.37 0.10 0.07 -0.75 0.00 0.00 0.00 174.94 174.73 3ik3 s LYS 294 N 1.31 0.18 -0.24 2.79 2.20 -1.26 -4.57 119.74 120.15 3ik3 s LYS 294 Ca -0.02 -0.05 -0.26 0.00 -0.36 0.00 0.00 55.97 55.28 3ik3 s LYS 294 Cb -0.18 -1.61 0.09 0.00 -1.51 0.00 0.00 37.83 34.62 3ik3 s LYS 294 CO -0.03 -0.59 0.81 -1.58 -0.36 0.00 0.00 175.35 173.60 3ik3 s HIS 295 N 2.08 -0.67 0.56 4.03 2.46 -1.26 -5.05 115.29 117.45 3ik3 s HIS 295 Ca 0.02 1.56 0.26 0.00 0.47 0.00 0.00 55.06 57.37 3ik3 s HIS 295 Cb -0.15 0.32 1.50 0.00 -0.13 0.00 0.00 32.58 34.12 3ik3 s HIS 295 CO -0.08 -0.37 2.04 -1.00 -2.47 0.00 0.00 174.74 172.87 3ik3 h PRO 296 N 4.41 0.00 -0.24 2.88 0.13 -1.99 -2.00 132.00 135.18 3ik3 h PRO 296 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 3ik3 h PRO 296 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3ik3 h PRO 296 CO 0.12 0.00 -0.00 0.09 -0.23 0.00 0.00 178.00 177.98 3ik3 n ASN 297 N -4.08 3.69 -4.35 1.44 4.13 -1.26 -4.86 115.26 109.98 3ik3 n ASN 297 Ca 0.05 -3.06 -0.29 0.00 1.68 0.00 0.00 54.58 52.96 3ik3 n ASN 297 Cb 0.45 -0.54 -0.14 0.00 -1.54 0.00 0.00 39.78 38.01 3ik3 n ASN 297 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ik3 s LEU 298 N -2.86 2.24 0.17 3.41 1.43 -0.75 -0.21 118.68 122.10 3ik3 s LEU 298 Ca 0.42 -0.66 -0.33 0.00 -1.03 0.00 0.00 54.13 52.53 3ik3 s LEU 298 Cb 0.34 -1.18 -0.15 0.00 0.03 0.00 0.00 46.19 45.23 3ik3 s LEU 298 CO 0.08 0.20 1.29 1.33 0.23 0.00 0.00 176.35 179.48 3ik3 n VAL 299 N 1.37 0.63 -3.99 -1.59 0.24 -0.91 -4.58 118.33 109.50 3ik3 n VAL 299 Ca -0.18 -0.16 -0.35 0.00 -2.04 0.00 0.00 64.34 61.62 3ik3 n VAL 299 Cb 0.53 -1.04 -0.14 0.00 -1.47 0.00 0.00 33.84 31.71 3ik3 n VAL 299 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3ik3 s GLN 300 N -0.08 3.33 0.30 7.34 0.74 -1.26 -4.87 119.66 125.17 3ik3 s GLN 300 Ca 0.75 -0.65 -0.29 0.00 0.05 0.00 0.00 55.36 55.21 3ik3 s GLN 300 Cb -0.81 -2.93 -0.11 0.00 1.10 0.00 0.00 33.01 30.26 3ik3 s GLN 300 CO 0.49 -0.17 1.52 -1.17 -0.55 0.00 0.00 175.29 175.41 3ik3 s LEU 301 N 1.38 4.35 -0.03 3.68 2.96 -1.26 -4.33 118.68 125.43 3ik3 s LEU 301 Ca 0.05 2.90 0.13 0.00 -0.22 0.00 0.00 54.13 56.98 3ik3 s LEU 301 Cb -0.14 -3.64 -0.20 0.00 0.50 0.00 0.00 46.19 42.71 3ik3 s LEU 301 CO -0.04 -0.84 0.25 0.18 -1.32 0.00 0.00 176.35 174.58 3ik3 n LEU 302 N 1.76 0.00 0.00 -0.68 4.77 0.47 -4.99 117.00 118.33 3ik3 n LEU 302 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3ik3 n LEU 302 Cb 0.39 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3ik3 n LEU 302 CO 0.63 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3ik3 n GLY 303 N 1.83 1.90 3.16 -0.72 0.00 -1.19 -5.01 105.19 105.17 3ik3 n GLY 303 Ca -0.05 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 3ik3 n GLY 303 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ik3 s VAL 304 N -2.00 0.49 -0.33 1.61 -7.23 0.17 -1.26 120.40 111.84 3ik3 s VAL 304 Ca 0.00 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.28 3ik3 s VAL 304 Cb 0.00 -1.80 0.10 0.00 0.56 0.00 0.00 36.38 35.24 3ik3 s VAL 304 CO 0.00 -0.75 0.07 0.00 -0.31 0.00 0.00 175.10 174.11 3ik3 n THR 306 N 4.41 0.61 0.18 0.00 -2.24 -1.26 -1.09 114.28 114.90 3ik3 n THR 306 Ca 0.02 -0.73 0.07 0.00 -2.27 0.00 0.00 64.05 61.14 3ik3 n THR 306 Cb 0.42 0.27 0.13 0.00 -2.10 0.00 0.00 70.33 69.05 3ik3 n THR 306 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3ik3 h ARG 307 N 0.00 0.00 -2.34 -0.78 3.08 -1.95 -3.47 114.38 108.92 3ik3 h ARG 307 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 3ik3 h ARG 307 Cb 1.26 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.16 3ik3 h ARG 307 CO 0.00 0.26 0.47 -1.83 -1.07 0.00 0.00 179.97 177.80 3ik3 s GLU 308 N -3.13 0.87 0.47 0.04 -1.05 -1.26 -5.16 118.70 109.48 3ik3 s GLU 308 Ca 0.05 -0.33 -0.22 0.00 -0.15 0.00 0.00 54.97 54.32 3ik3 s GLU 308 Cb 0.07 0.39 -0.07 0.00 -0.44 0.00 0.00 34.13 34.08 3ik3 s GLU 308 CO 0.70 -0.38 1.12 -2.14 0.95 0.00 0.00 175.26 175.51 3ik3 s PRO 309 N -3.18 3.73 0.24 -4.83 0.02 -1.26 -3.96 135.00 125.76 3ik3 s PRO 309 Ca 0.05 1.64 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 3ik3 s PRO 309 Cb -0.01 -2.29 -0.09 0.00 0.02 0.00 0.00 34.50 32.13 3ik3 s PRO 309 CO -0.09 -0.54 0.93 -1.25 -0.33 0.00 0.00 177.00 175.72 3ik3 s PRO 310 N -2.87 4.84 0.36 5.54 0.05 -1.26 -4.97 135.00 136.68 3ik3 s PRO 310 Ca 0.65 1.47 -0.26 0.00 0.05 0.00 0.00 61.00 62.91 3ik3 s PRO 310 Cb -0.25 -3.26 -0.09 0.00 0.05 0.00 0.00 34.50 30.95 3ik3 s PRO 310 CO 0.30 0.51 1.08 -0.06 0.05 0.00 0.00 177.00 178.88 3ik3 s PHE 311 N -1.20 3.35 0.08 0.56 2.99 -0.62 -4.88 117.98 118.26 3ik3 s PHE 311 Ca 0.41 1.66 0.09 0.00 0.00 0.00 0.00 56.93 59.09 3ik3 s PHE 311 Cb -0.26 -3.20 -0.03 0.00 0.00 0.00 0.00 43.02 39.53 3ik3 s PHE 311 CO 0.31 -0.66 -0.24 0.71 -0.00 0.00 0.00 175.22 175.34 3ik3 s TYR 312 N -1.47 2.40 -0.10 0.36 4.12 -0.25 -2.20 117.35 120.20 3ik3 s TYR 312 Ca 0.53 -0.35 0.01 0.00 0.02 0.00 0.00 57.07 57.29 3ik3 s TYR 312 Cb -0.26 -1.35 0.02 0.00 -1.52 0.00 0.00 41.96 38.85 3ik3 s TYR 312 CO 0.33 0.26 -0.13 0.42 0.02 0.00 0.00 175.55 176.45 3ik3 s ILE 313 N -0.96 1.31 -0.12 2.71 1.01 -0.50 -1.58 121.20 123.06 3ik3 s ILE 313 Ca 0.14 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3ik3 s ILE 313 Cb -0.10 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.14 3ik3 s ILE 313 CO 0.05 0.41 -0.21 -0.63 0.00 0.00 0.00 174.94 174.56 3ik3 s ILE 314 N 1.15 2.30 0.34 2.92 1.01 -0.39 -1.26 121.20 127.26 3ik3 s ILE 314 Ca -0.04 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.72 3ik3 s ILE 314 Cb -0.14 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3ik3 s ILE 314 CO -0.03 0.54 0.12 0.27 0.00 0.00 0.00 174.94 175.85 3ik3 s ILE 315 N 0.54 0.61 0.41 2.92 -4.36 -0.95 -0.39 121.20 119.97 3ik3 s ILE 315 Ca -0.13 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.02 3ik3 s ILE 315 Cb -0.17 -2.53 -0.08 0.00 1.25 0.00 0.00 42.46 40.93 3ik3 s ILE 315 CO 0.04 0.00 1.13 -0.70 0.24 0.00 0.00 174.94 175.66 3ik3 s GLU 316 N -3.82 4.04 0.15 0.37 2.12 -1.26 -1.06 118.70 119.24 3ik3 s GLU 316 Ca 0.32 1.74 -0.30 0.00 0.36 0.00 0.00 54.97 57.09 3ik3 s GLU 316 Cb 0.05 -2.60 -0.07 0.00 0.26 0.00 0.00 34.13 31.77 3ik3 s GLU 316 CO 0.16 -0.30 1.10 0.12 -0.54 0.00 0.00 175.26 175.80 3ik3 s PHE 317 N -1.50 3.59 -0.30 5.30 5.36 -0.56 -4.47 117.98 125.39 3ik3 s PHE 317 Ca 0.58 1.57 -0.11 0.00 -0.96 0.00 0.00 56.93 58.01 3ik3 s PHE 317 Cb -0.28 -3.28 -0.03 0.00 -0.34 0.00 0.00 43.02 39.09 3ik3 s PHE 317 CO 0.35 -0.63 0.20 -1.64 -1.46 0.00 0.00 175.22 172.03 3ik3 s MET 318 N -0.10 3.68 0.43 10.12 -1.94 -1.26 -4.93 119.30 125.30 3ik3 s MET 318 Ca 0.51 -0.51 0.11 0.00 -1.71 0.00 0.00 55.69 54.09 3ik3 s MET 318 Cb -0.29 -3.68 0.98 0.00 2.01 0.00 0.00 34.83 33.86 3ik3 s MET 318 CO 0.34 -0.31 2.04 1.15 -0.01 0.00 0.00 175.02 178.22 3ik3 h THR 319 N 5.47 1.00 -0.40 2.05 2.02 -1.90 -2.95 112.91 118.19 3ik3 h THR 319 Ca -0.33 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3ik3 h THR 319 Cb 1.17 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3ik3 h THR 319 CO 0.59 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 175.34 3ik3 n TYR 320 N -4.48 0.53 -4.21 3.16 4.02 0.34 -5.03 117.16 111.49 3ik3 n TYR 320 Ca 0.05 -0.41 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 3ik3 n TYR 320 Cb 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3ik3 n TYR 320 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ik3 n GLY 321 N 0.90 -0.48 3.85 2.72 0.00 -1.12 -4.62 105.19 106.45 3ik3 n GLY 321 Ca 0.15 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 3ik3 n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ik3 s ASN 322 N -4.00 6.73 0.29 1.61 2.20 -1.26 0.54 114.94 121.04 3ik3 s ASN 322 Ca 0.00 1.23 -0.00 0.00 -0.94 0.00 0.00 52.86 53.15 3ik3 s ASN 322 Cb 0.00 -2.35 0.43 0.00 -2.00 0.00 0.00 41.25 37.33 3ik3 s ASN 322 CO 0.00 -0.21 1.82 0.25 -2.94 0.00 0.00 177.10 176.01 3ik3 h LEU 323 N 2.17 0.69 0.11 3.54 5.85 -0.74 -1.39 115.31 125.55 3ik3 h LEU 323 Ca -0.48 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.12 3ik3 h LEU 323 Cb 1.18 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3ik3 h LEU 323 CO 0.66 0.73 -0.18 0.25 -0.34 0.00 0.00 178.44 179.55 3ik3 h LEU 324 N 0.70 -0.51 -1.05 2.25 5.85 -1.77 0.72 115.31 121.50 3ik3 h LEU 324 Ca 0.15 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 3ik3 h LEU 324 Cb 0.36 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3ik3 h LEU 324 CO 0.01 -0.26 -0.00 0.44 -0.34 0.00 0.00 178.44 178.28 3ik3 h ASP 325 N -0.36 0.64 -0.27 1.25 3.32 -1.83 -2.23 116.42 116.93 3ik3 h ASP 325 Ca 0.02 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3ik3 h ASP 325 Cb 0.37 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3ik3 h ASP 325 CO -0.10 0.71 0.12 0.22 -1.72 0.00 0.00 179.24 178.47 3ik3 h TYR 326 N 0.63 0.39 -0.67 4.55 3.20 -0.85 -1.13 116.97 123.10 3ik3 h TYR 326 Ca 0.13 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3ik3 h TYR 326 Cb 0.40 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 3ik3 h TYR 326 CO 0.02 0.39 0.33 -0.07 -1.64 0.00 0.00 178.16 177.19 3ik3 h LEU 327 N 0.29 0.85 -0.90 2.82 3.38 -0.73 -1.35 115.31 119.67 3ik3 h LEU 327 Ca 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ik3 h LEU 327 Cb 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3ik3 h LEU 327 CO -0.01 0.71 -0.10 0.03 0.09 0.00 0.00 178.44 179.16 3ik3 h ARG 328 N 0.95 0.00 -0.03 1.13 3.08 -0.82 -3.23 114.38 115.45 3ik3 h ARG 328 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3ik3 h ARG 328 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3ik3 h ARG 328 CO -0.03 0.10 0.00 0.39 -1.07 0.00 0.00 179.97 179.36 3ik3 n GLU 329 N -3.19 0.49 -1.53 0.04 1.02 -0.48 -5.05 120.64 111.94 3ik3 n GLU 329 Ca 0.01 -1.13 -0.30 0.00 -0.02 0.00 0.00 57.16 55.73 3ik3 n GLU 329 Cb 0.43 -1.19 0.09 0.00 -0.02 0.00 0.00 31.44 30.75 3ik3 n GLU 329 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ik3 s ASN 331 N -3.86 6.51 0.23 0.00 3.84 -1.26 -4.98 114.94 115.42 3ik3 s ASN 331 Ca 0.61 0.61 0.24 0.00 0.21 0.00 0.00 52.86 54.53 3ik3 s ASN 331 Cb -0.15 -2.30 0.92 0.00 -0.55 0.00 0.00 41.25 39.18 3ik3 s ASN 331 CO 0.54 -0.27 1.73 0.54 -2.79 0.00 0.00 177.10 176.85 3ik3 n ARG 332 N 5.33 0.21 -0.06 0.43 1.74 -1.26 -0.50 116.66 122.55 3ik3 n ARG 332 Ca -0.04 0.35 -0.11 0.00 -0.77 0.00 0.00 57.85 57.28 3ik3 n ARG 332 Cb 0.50 -1.83 0.03 0.00 -1.02 0.00 0.00 32.46 30.13 3ik3 n ARG 332 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3ik3 h GLN 333 N 0.00 0.74 0.08 5.56 1.08 -1.99 -3.21 115.11 117.37 3ik3 h GLN 333 Ca 0.00 -0.42 -0.15 0.00 -1.45 0.00 0.00 58.65 56.63 3ik3 h GLN 333 Cb 0.48 0.03 0.02 0.00 -0.05 0.00 0.00 27.48 27.95 3ik3 h GLN 333 CO 0.00 1.04 -0.64 0.93 -0.95 0.00 0.00 178.83 179.21 3ik3 h GLU 334 N 0.60 0.29 -3.83 1.46 5.08 -1.77 -3.37 114.58 113.03 3ik3 h GLU 334 Ca 0.04 -0.42 -0.77 0.00 -1.00 0.00 0.00 59.36 57.20 3ik3 h GLU 334 Cb 1.01 0.14 -0.23 0.00 0.50 0.00 0.00 28.75 30.18 3ik3 h GLU 334 CO 0.10 1.16 1.06 0.28 -1.00 0.00 0.00 179.01 180.60 3ik3 n VAL 335 N -4.22 4.57 -2.38 3.13 0.31 0.35 -4.84 118.33 115.24 3ik3 n VAL 335 Ca -0.12 -5.11 -0.11 0.00 -0.01 0.00 0.00 64.34 58.98 3ik3 n VAL 335 Cb 0.73 -2.43 0.06 0.00 -0.91 0.00 0.00 33.84 31.29 3ik3 n VAL 335 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3ik3 n SER 336 N 3.60 0.64 -0.35 4.52 3.41 -1.21 -4.61 113.62 119.61 3ik3 n SER 336 Ca 0.31 -1.54 0.05 0.00 -0.26 0.00 0.00 58.87 57.43 3ik3 n SER 336 Cb 0.39 -0.32 0.21 0.00 -0.26 0.00 0.00 64.21 64.22 3ik3 n SER 336 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ik3 h ALA 337 N -0.58 1.42 -0.18 7.33 0.00 -1.94 -1.28 119.26 124.03 3ik3 h ALA 337 Ca -0.16 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3ik3 h ALA 337 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ik3 h ALA 337 CO 0.17 0.28 -0.37 -0.24 0.00 0.00 0.00 179.25 179.09 3ik3 h VAL 338 N 1.02 1.30 -0.28 0.00 3.04 -1.94 -2.09 116.25 117.31 3ik3 h VAL 338 Ca 0.46 -1.47 -0.11 0.00 -1.01 0.00 0.00 66.70 64.57 3ik3 h VAL 338 Cb 0.36 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 3ik3 h VAL 338 CO -0.23 0.45 -0.30 0.58 -1.01 0.00 0.00 177.57 177.06 3ik3 h VAL 339 N 0.33 1.28 -0.69 1.51 2.07 -1.59 -0.67 116.25 118.48 3ik3 h VAL 339 Ca 0.03 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 3ik3 h VAL 339 Cb 0.80 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3ik3 h VAL 339 CO 0.06 0.44 0.18 -0.07 0.02 0.00 0.00 177.57 178.21 3ik3 h LEU 340 N 0.49 1.02 -0.32 2.57 3.38 -0.84 -0.38 115.31 121.23 3ik3 h LEU 340 Ca 0.06 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3ik3 h LEU 340 Cb 0.76 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3ik3 h LEU 340 CO 0.06 0.97 -0.05 -0.07 0.09 0.00 0.00 178.44 179.44 3ik3 h LEU 341 N 1.03 0.59 -0.82 1.67 3.38 -1.17 -2.57 115.31 117.42 3ik3 h LEU 341 Ca 0.22 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 57.98 3ik3 h LEU 341 Cb 0.34 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 3ik3 h LEU 341 CO -0.00 0.80 0.40 0.22 0.09 0.00 0.00 178.44 179.95 3ik3 h TYR 342 N 0.37 0.71 -0.06 1.13 3.20 -0.80 0.12 116.97 121.65 3ik3 h TYR 342 Ca 0.08 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3ik3 h TYR 342 Cb 0.53 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 3ik3 h TYR 342 CO 0.05 0.16 0.01 0.52 -1.64 0.00 0.00 178.16 177.26 3ik3 h MET 343 N 0.59 0.09 -0.42 1.82 2.86 -0.93 -1.43 114.93 117.52 3ik3 h MET 343 Ca 0.44 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 58.01 3ik3 h MET 343 Cb 0.63 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3ik3 h MET 343 CO -0.36 0.29 0.03 0.00 1.06 0.00 0.00 176.91 177.93 3ik3 h ALA 344 N 0.80 1.28 -0.36 6.32 0.00 -1.04 -1.41 119.26 124.84 3ik3 h ALA 344 Ca 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3ik3 h ALA 344 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ik3 h ALA 344 CO 0.00 0.49 0.13 1.15 0.00 0.00 0.00 179.25 181.02 3ik3 h THR 345 N 0.62 1.20 -0.69 0.00 2.02 -0.56 -0.82 112.91 114.69 3ik3 h THR 345 Ca 0.13 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 3ik3 h THR 345 Cb 0.34 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 3ik3 h THR 345 CO 0.01 0.22 0.40 1.56 0.37 0.00 0.00 175.52 178.08 3ik3 h GLN 346 N 0.43 0.94 -0.44 6.66 4.20 -0.74 -1.61 115.11 124.55 3ik3 h GLN 346 Ca 0.12 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 3ik3 h GLN 346 Cb 0.21 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3ik3 h GLN 346 CO -0.01 0.68 -0.15 0.82 -0.67 0.00 0.00 178.83 179.50 3ik3 h ILE 347 N 0.94 1.27 0.00 2.54 2.04 -1.12 -1.99 117.51 121.19 3ik3 h ILE 347 Ca 0.24 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 3ik3 h ILE 347 Cb -0.01 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3ik3 h ILE 347 CO -0.04 0.44 -0.09 0.77 0.00 0.00 0.00 178.15 179.22 3ik3 h SER 348 N 0.71 0.00 -0.07 1.72 4.64 -0.98 -1.64 113.55 117.93 3ik3 h SER 348 Ca 0.11 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.23 3ik3 h SER 348 Cb 0.71 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3ik3 h SER 348 CO 0.05 0.09 -0.73 -1.28 -0.87 0.00 0.00 176.83 174.09 3ik3 h SER 349 N 0.00 0.77 -0.01 4.97 0.87 -0.89 -0.50 113.55 118.76 3ik3 h SER 349 Ca -0.00 -0.68 -0.05 0.00 -1.23 0.00 0.00 61.79 59.82 3ik3 h SER 349 Cb 0.55 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3ik3 h SER 349 CO 0.01 1.34 -0.12 0.00 -0.53 0.00 0.00 176.83 177.53 3ik3 h ALA 350 N 0.45 1.46 0.00 6.23 0.00 -1.13 -2.29 119.26 123.98 3ik3 h ALA 350 Ca -0.07 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 3ik3 h ALA 350 Cb 1.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3ik3 h ALA 350 CO 0.15 0.38 -0.85 0.52 0.00 0.00 0.00 179.25 179.45 3ik3 h MET 351 N 0.28 0.08 -0.33 0.00 2.86 -1.18 -2.18 114.93 114.46 3ik3 h MET 351 Ca 0.06 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3ik3 h MET 351 Cb 0.39 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3ik3 h MET 351 CO 0.02 0.88 -0.16 1.49 1.06 0.00 0.00 176.91 180.20 3ik3 h GLU 352 N 0.04 0.60 0.17 1.72 4.81 -0.84 0.25 114.58 121.34 3ik3 h GLU 352 Ca -0.02 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 3ik3 h GLU 352 Cb 1.48 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.82 3ik3 h GLU 352 CO 0.12 0.74 -0.08 -0.92 -0.73 0.00 0.00 179.01 178.14 3ik3 h TYR 353 N 0.54 -0.21 -0.97 0.92 3.20 -1.28 0.13 116.97 119.30 3ik3 h TYR 353 Ca 0.09 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.07 3ik3 h TYR 353 Cb 0.59 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.85 3ik3 h TYR 353 CO 0.02 0.10 0.62 -0.07 -1.64 0.00 0.00 178.16 177.19 3ik3 h LEU 354 N -0.53 0.89 -0.23 2.82 3.38 -1.26 0.10 115.31 120.49 3ik3 h LEU 354 Ca -0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ik3 h LEU 354 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ik3 h LEU 354 CO 0.04 0.49 0.13 -0.08 0.09 0.00 0.00 178.44 179.11 3ik3 h GLU 355 N 0.97 0.27 -0.74 1.13 4.81 -0.23 -0.53 114.58 120.25 3ik3 h GLU 355 Ca 0.47 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 3ik3 h GLU 355 Cb 0.47 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3ik3 h GLU 355 CO -0.23 0.18 0.41 -0.22 -0.73 0.00 0.00 179.01 178.41 3ik3 h LYS 356 N 0.28 1.01 -0.60 1.92 3.64 0.16 -2.32 116.57 120.67 3ik3 h LYS 356 Ca 0.09 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ik3 h LYS 356 Cb -0.01 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3ik3 h LYS 356 CO -0.04 0.74 0.00 1.63 -2.27 0.00 0.00 179.45 179.51 3ik3 n LYS 357 N -4.37 2.75 -2.48 1.90 5.02 -0.06 -4.92 118.16 116.01 3ik3 n LYS 357 Ca 0.07 -1.84 -0.19 0.00 -2.02 0.00 0.00 58.31 54.34 3ik3 n LYS 357 Cb 0.09 -1.66 -0.01 0.00 -0.02 0.00 0.00 35.03 33.44 3ik3 n LYS 357 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ik3 n ASN 358 N 0.65 -5.34 -4.90 4.39 4.13 -0.87 -5.00 115.26 108.31 3ik3 n ASN 358 Ca 0.17 0.01 -0.28 0.00 1.68 0.00 0.00 54.58 56.16 3ik3 n ASN 358 Cb 0.61 -4.46 -0.02 0.00 -1.54 0.00 0.00 39.78 34.37 3ik3 n ASN 358 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ik3 s PHE 359 N -2.93 3.49 -0.07 3.10 0.40 -0.26 -5.04 117.98 116.66 3ik3 s PHE 359 Ca 0.03 0.71 0.02 0.00 -0.60 0.00 0.00 56.93 57.10 3ik3 s PHE 359 Cb -0.01 -2.18 0.01 0.00 0.51 0.00 0.00 43.02 41.35 3ik3 s PHE 359 CO 0.04 0.04 -0.13 0.42 0.70 0.00 0.00 175.22 176.29 3ik3 s ILE 360 N -2.27 1.21 -0.09 0.64 1.01 -1.26 -4.41 121.20 116.02 3ik3 s ILE 360 Ca 0.45 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 60.41 3ik3 s ILE 360 Cb -0.10 -1.10 -0.15 0.00 0.01 0.00 0.00 42.46 41.11 3ik3 s ILE 360 CO 0.33 0.37 0.64 -0.74 0.00 0.00 0.00 174.94 175.55 3ik3 h HIS 361 N 7.03 -0.10 0.00 3.97 -0.00 -1.97 -3.48 115.15 120.60 3ik3 h HIS 361 Ca -0.30 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 3ik3 h HIS 361 Cb 1.19 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 3ik3 h HIS 361 CO 0.49 0.40 0.00 0.54 -0.00 0.00 0.00 177.93 179.35 3ik3 n ARG 362 N -4.80 0.00 -2.74 5.26 1.74 -1.26 -4.81 116.66 110.05 3ik3 n ARG 362 Ca -0.07 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.92 3ik3 n ARG 362 Cb 0.27 -1.04 0.07 0.00 -1.02 0.00 0.00 32.46 30.73 3ik3 n ARG 362 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ik3 n ASP 363 N 0.00 -0.33 -4.72 0.55 2.03 -1.26 -5.07 116.55 107.75 3ik3 n ASP 363 Ca 0.00 -2.74 -0.42 0.00 0.52 0.00 0.00 54.79 52.15 3ik3 n ASP 363 Cb 0.00 0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.69 3ik3 n ASP 363 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3ik3 s LEU 364 N -3.00 4.40 -0.23 -2.67 2.96 -1.26 -4.80 118.68 114.07 3ik3 s LEU 364 Ca 0.26 2.05 -0.33 0.00 -0.22 0.00 0.00 54.13 55.89 3ik3 s LEU 364 Cb 0.41 -3.59 0.16 0.00 0.50 0.00 0.00 46.19 43.67 3ik3 s LEU 364 CO -0.03 -0.42 1.26 0.00 -1.32 0.00 0.00 176.35 175.83 3ik3 s ALA 365 N 0.75 -2.09 0.43 5.97 0.00 -1.26 -4.71 121.76 120.85 3ik3 s ALA 365 Ca 0.57 1.75 0.11 0.00 0.00 0.00 0.00 51.96 54.38 3ik3 s ALA 365 Cb -0.30 -0.73 0.98 0.00 0.00 0.00 0.00 23.12 23.07 3ik3 s ALA 365 CO 0.31 -0.43 2.03 0.00 0.00 0.00 0.00 175.76 177.68 3ik3 h ALA 366 N 2.09 1.88 0.00 0.00 0.00 -1.94 0.21 119.26 121.50 3ik3 h ALA 366 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ik3 h ALA 366 Cb 1.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3ik3 h ALA 366 CO 0.23 0.06 0.00 0.07 0.00 0.00 0.00 179.25 179.61 3ik3 h ARG 367 N 0.43 0.00 -0.46 0.00 0.11 -1.95 -1.75 114.38 110.77 3ik3 h ARG 367 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 3ik3 h ARG 367 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 3ik3 h ARG 367 CO -0.05 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.11 3ik3 n ASN 368 N -2.72 3.48 -4.80 0.08 3.02 0.05 -4.82 115.26 109.55 3ik3 n ASN 368 Ca -0.01 -2.16 -0.33 0.00 -0.03 0.00 0.00 54.58 52.05 3ik3 n ASN 368 Cb 0.12 -0.36 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 3ik3 n ASN 368 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ik3 s LEU 370 N -1.87 2.94 -0.12 0.00 1.43 0.02 -0.47 118.68 120.60 3ik3 s LEU 370 Ca 0.25 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3ik3 s LEU 370 Cb -0.12 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3ik3 s LEU 370 CO 0.16 0.24 -0.16 -0.69 0.23 0.00 0.00 176.35 176.13 3ik3 s VAL 371 N -1.04 2.76 0.00 -1.59 1.01 0.19 -0.97 120.40 120.76 3ik3 s VAL 371 Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3ik3 s VAL 371 Cb -0.11 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3ik3 s VAL 371 CO 0.09 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3ik3 n GLY 372 N 3.51 6.30 3.71 4.51 0.00 0.55 -0.50 105.19 123.27 3ik3 n GLY 372 Ca -0.18 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.39 3ik3 n GLY 372 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ik3 n GLU 373 N -0.03 1.56 -3.42 1.61 4.07 -1.26 -3.18 120.64 119.98 3ik3 n GLU 373 Ca 0.00 0.57 -0.25 0.00 -0.06 0.00 0.00 57.16 57.42 3ik3 n GLU 373 Cb 0.00 -2.47 0.03 0.00 -0.06 0.00 0.00 31.44 28.94 3ik3 n GLU 373 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3ik3 n ASN 374 N -0.82 -5.26 -1.57 4.31 3.02 -1.26 -1.79 115.26 111.88 3ik3 n ASN 374 Ca 0.11 -0.47 -0.19 0.00 -0.03 0.00 0.00 54.58 53.99 3ik3 n ASN 374 Cb 0.44 -4.24 -0.08 0.00 -0.61 0.00 0.00 39.78 35.30 3ik3 n ASN 374 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ik3 n HIS 375 N -4.50 -0.10 -1.64 3.10 8.25 -1.19 -4.96 115.22 114.18 3ik3 n HIS 375 Ca -0.03 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 56.95 3ik3 n HIS 375 Cb 0.57 -3.28 -0.04 0.00 1.12 0.00 0.00 29.99 28.35 3ik3 n HIS 375 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3ik3 n LEU 376 N -2.27 2.51 -4.22 2.41 7.94 -0.74 -4.82 117.00 117.81 3ik3 n LEU 376 Ca -0.19 1.11 -0.27 0.00 -1.11 0.00 0.00 56.01 55.55 3ik3 n LEU 376 Cb 0.63 -1.34 -0.16 0.00 0.53 0.00 0.00 43.42 43.08 3ik3 n LEU 376 CO 0.29 -0.66 -0.53 -0.69 -1.11 0.00 0.00 177.39 174.69 3ik3 s VAL 377 N 0.44 1.63 -0.04 1.96 1.01 -1.26 -0.33 120.40 123.80 3ik3 s VAL 377 Ca 0.77 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3ik3 s VAL 377 Cb -0.77 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 3ik3 s VAL 377 CO 0.45 0.46 -0.18 -0.54 0.00 0.00 0.00 175.10 175.28 3ik3 s LYS 378 N -0.47 1.82 0.16 2.72 1.02 -0.14 -4.58 119.74 120.27 3ik3 s LYS 378 Ca 0.07 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 3ik3 s LYS 378 Cb -0.08 -1.61 -0.07 0.00 -0.52 0.00 0.00 37.83 35.55 3ik3 s LYS 378 CO -0.01 0.29 1.14 0.08 -0.92 0.00 0.00 175.35 175.93 3ik3 s VAL 379 N -0.08 3.83 0.42 3.17 1.01 0.70 -0.80 120.40 128.65 3ik3 s VAL 379 Ca -0.02 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.52 3ik3 s VAL 379 Cb -0.11 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 3ik3 s VAL 379 CO 0.02 0.24 0.13 0.00 0.00 0.00 0.00 175.10 175.48 3ik3 s ALA 380 N 0.00 3.03 -0.19 5.51 0.00 0.13 -2.14 121.76 128.10 3ik3 s ALA 380 Ca 0.51 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 3ik3 s ALA 380 Cb -0.30 0.71 0.10 0.00 0.00 0.00 0.00 23.12 23.63 3ik3 s ALA 380 CO 0.34 -0.32 0.31 0.34 0.00 0.00 0.00 175.76 176.43 3ik3 s ASP 381 N -3.63 0.51 0.00 0.00 2.15 -1.26 -4.72 116.67 109.71 3ik3 s ASP 381 Ca 0.22 0.32 0.25 0.00 0.43 0.00 0.00 52.55 53.77 3ik3 s ASP 381 Cb 0.02 0.83 0.51 0.00 -0.30 0.00 0.00 42.92 43.98 3ik3 s ASP 381 CO 0.14 -0.28 1.41 0.49 -0.17 0.00 0.00 175.17 176.76 3ik3 n PHE 382 N 5.35 0.00 -3.08 -5.34 3.01 -1.26 -4.94 117.46 111.20 3ik3 n PHE 382 Ca -0.05 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.28 3ik3 n PHE 382 Cb 0.50 -0.14 0.07 0.00 -0.01 0.00 0.00 39.48 39.89 3ik3 n PHE 382 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ik3 n GLY 383 N 1.42 -0.18 0.05 1.37 0.00 -1.26 -4.92 105.19 101.66 3ik3 n GLY 383 Ca 0.09 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3ik3 n GLY 383 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ik3 n LEU 384 N -3.36 0.35 0.08 0.99 4.77 -1.26 -3.73 117.00 114.85 3ik3 n LEU 384 Ca -0.22 0.54 0.05 0.00 -0.03 0.00 0.00 56.01 56.35 3ik3 n LEU 384 Cb 0.63 -0.44 0.25 0.00 -2.33 0.00 0.00 43.42 41.53 3ik3 n LEU 384 CO 0.46 -0.14 0.66 -1.54 -1.33 0.00 0.00 177.39 175.51 3ik3 n SER 385 N -1.84 0.24 -0.45 -1.43 3.41 -1.26 -0.98 113.62 111.31 3ik3 n SER 385 Ca 0.06 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.26 3ik3 n SER 385 Cb 0.35 -0.55 0.08 0.00 -0.26 0.00 0.00 64.21 63.83 3ik3 n SER 385 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ik3 n ARG 386 N -1.80 1.42 0.00 4.33 1.74 -1.24 -4.74 116.66 116.37 3ik3 n ARG 386 Ca -0.01 -1.45 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 3ik3 n ARG 386 Cb 0.13 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3ik3 n ARG 386 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3ik3 n LEU 387 N 0.46 0.54 -4.74 0.55 7.94 -0.15 -5.08 117.00 116.52 3ik3 n LEU 387 Ca 0.07 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.58 3ik3 n LEU 387 Cb 0.31 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.29 3ik3 n LEU 387 CO 0.06 -0.07 0.99 0.23 -1.11 0.00 0.00 177.39 177.49 3ik3 n MET 388 N -2.25 1.88 -2.70 1.96 2.81 -1.02 -5.02 117.12 112.77 3ik3 n MET 388 Ca 0.00 0.68 -0.12 0.00 -1.81 0.00 0.00 57.70 56.45 3ik3 n MET 388 Cb 0.17 -2.57 -0.01 0.00 -0.71 0.00 0.00 33.22 30.11 3ik3 n MET 388 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3ik3 n THR 389 N -0.71 0.00 0.00 2.03 5.66 -1.26 -4.73 114.28 115.27 3ik3 n THR 389 Ca 0.08 -0.92 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 3ik3 n THR 389 Cb 0.43 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 3ik3 n THR 389 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ik3 n GLY 390 N 2.40 1.11 0.00 1.09 0.00 -1.26 -4.45 105.19 104.08 3ik3 n GLY 390 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3ik3 n GLY 390 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ik3 n ASP 391 N 0.47 0.00 0.00 1.61 2.03 -1.26 -5.02 116.55 114.38 3ik3 n ASP 391 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3ik3 n ASP 391 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3ik3 n ASP 391 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3ik3 n THR 392 N 0.00 0.00 -4.22 5.18 -1.04 -1.26 -4.67 114.28 108.28 3ik3 n THR 392 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3ik3 n THR 392 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 3ik3 n THR 392 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3ik3 s TYR 393 N 0.00 3.23 0.13 -1.42 1.51 -1.26 -3.89 117.35 115.64 3ik3 s TYR 393 Ca 0.00 0.15 0.04 0.00 -1.01 0.00 0.00 57.07 56.24 3ik3 s TYR 393 Cb 0.00 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 3ik3 s TYR 393 CO 0.00 0.36 -0.09 0.95 -1.11 0.00 0.00 175.55 175.66 3ik3 s THR 394 N -0.43 1.02 0.33 -0.71 -4.23 -0.59 -4.84 115.64 106.18 3ik3 s THR 394 Ca 0.09 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.30 3ik3 s THR 394 Cb -0.12 -1.77 -0.11 0.00 1.34 0.00 0.00 72.50 71.84 3ik3 s THR 394 CO 0.02 -0.77 1.57 0.00 -0.54 0.00 0.00 174.62 174.89 3ik3 s ALA 395 N -3.36 3.69 -0.29 3.99 0.00 -1.26 -1.26 121.76 123.27 3ik3 s ALA 395 Ca 0.15 1.59 -0.17 0.00 0.00 0.00 0.00 51.96 53.52 3ik3 s ALA 395 Cb 0.03 -3.64 0.15 0.00 0.00 0.00 0.00 23.12 19.66 3ik3 s ALA 395 CO -0.01 -1.03 1.03 -1.58 0.00 0.00 0.00 175.76 174.17 3ik3 s HIS 396 N -0.40 -0.49 -1.48 0.00 5.04 -0.32 -4.85 115.29 112.79 3ik3 s HIS 396 Ca 0.60 1.00 -0.05 0.00 -1.54 0.00 0.00 55.06 55.07 3ik3 s HIS 396 Cb -0.48 0.32 0.02 0.00 0.04 0.00 0.00 32.58 32.48 3ik3 s HIS 396 CO 0.54 -0.24 0.52 0.00 -2.34 0.00 0.00 174.74 173.22 3ik3 n ALA 397 N 3.38 -0.97 0.00 1.58 0.00 -1.26 -0.93 120.51 122.30 3ik3 n ALA 397 Ca -0.17 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3ik3 n ALA 397 Cb 0.57 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.60 3ik3 n ALA 397 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik3 n GLY 398 N -1.38 2.69 0.00 0.00 0.00 -1.26 -4.95 105.19 100.29 3ik3 n GLY 398 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3ik3 n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ik3 n ALA 399 N -0.34 0.00 -3.74 4.61 0.00 -0.11 -5.12 120.51 115.81 3ik3 n ALA 399 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3ik3 n ALA 399 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3ik3 n ALA 399 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ik3 s LYS 400 N 1.88 1.49 -0.02 0.00 1.02 -1.26 -1.18 119.74 121.68 3ik3 s LYS 400 Ca 0.00 -0.28 0.06 0.00 0.02 0.00 0.00 55.97 55.77 3ik3 s LYS 400 Cb 0.00 -1.45 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 3ik3 s LYS 400 CO 0.00 -0.16 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.00 3ik3 s PHE 401 N 1.32 2.49 -1.10 3.18 0.40 -0.39 -4.80 117.98 119.08 3ik3 s PHE 401 Ca -0.03 -0.31 -0.22 0.00 -0.60 0.00 0.00 56.93 55.77 3ik3 s PHE 401 Cb -0.14 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 41.88 3ik3 s PHE 401 CO -0.04 0.09 1.68 -1.25 0.70 0.00 0.00 175.22 176.41 3ik3 s PRO 402 N -0.82 3.40 0.34 0.24 0.04 -1.26 -1.54 135.00 135.41 3ik3 s PRO 402 Ca 0.11 -1.25 0.14 0.00 0.04 0.00 0.00 61.00 60.04 3ik3 s PRO 402 Cb -0.10 -5.35 1.12 0.00 0.04 0.00 0.00 34.50 30.20 3ik3 s PRO 402 CO 0.01 -2.65 1.60 0.82 0.04 0.00 0.00 177.00 176.82 3ik3 h ILE 403 N 6.43 0.10 -0.00 0.56 1.08 -1.92 -0.83 117.51 122.93 3ik3 h ILE 403 Ca 0.26 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.70 3ik3 h ILE 403 Cb 0.96 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 3ik3 h ILE 403 CO 1.38 0.02 -0.14 0.29 -0.69 0.00 0.00 178.15 179.00 3ik3 n LYS 404 N -5.26 0.61 0.00 2.37 5.02 -1.26 -2.64 118.16 117.00 3ik3 n LYS 404 Ca 0.32 -0.22 0.08 0.00 -2.02 0.00 0.00 58.31 56.46 3ik3 n LYS 404 Cb 1.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 3ik3 n LYS 404 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3ik3 n TRP 405 N -1.00 0.00 -3.32 2.13 8.01 -0.34 -4.97 117.44 117.95 3ik3 n TRP 405 Ca 0.13 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.94 3ik3 n TRP 405 Cb 0.29 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.53 3ik3 n TRP 405 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3ik3 s THR 406 N -2.06 5.18 0.62 -0.99 2.01 -1.08 -3.89 115.64 115.43 3ik3 s THR 406 Ca 0.11 0.91 -0.19 0.00 0.31 0.00 0.00 61.69 62.83 3ik3 s THR 406 Cb 0.12 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 3ik3 s THR 406 CO 0.47 0.30 1.23 0.00 -0.69 0.00 0.00 174.62 175.92 3ik3 n ALA 407 N 3.93 0.98 -0.30 7.40 0.00 -1.26 -4.78 120.51 126.48 3ik3 n ALA 407 Ca -0.07 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.46 3ik3 n ALA 407 Cb 0.51 -2.28 0.22 0.00 0.00 0.00 0.00 19.45 17.90 3ik3 n ALA 407 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ik3 h PRO 408 N 0.64 0.62 0.00 0.00 0.11 -1.96 -0.94 132.00 130.47 3ik3 h PRO 408 Ca -0.50 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 3ik3 h PRO 408 Cb 1.34 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3ik3 h PRO 408 CO 0.53 0.41 -0.18 1.05 -0.21 0.00 0.00 178.00 179.60 3ik3 h GLU 409 N 0.64 0.00 0.15 1.05 9.09 -1.89 0.14 114.58 123.76 3ik3 h GLU 409 Ca 0.46 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.56 3ik3 h GLU 409 Cb 0.63 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.76 3ik3 h GLU 409 CO -0.35 0.18 -1.29 0.77 0.05 0.00 0.00 179.01 178.37 3ik3 h SER 410 N 0.00 0.82 -0.14 3.06 0.02 -1.20 0.12 113.55 116.23 3ik3 h SER 410 Ca -0.00 -0.78 -0.05 0.00 -0.84 0.00 0.00 61.79 60.11 3ik3 h SER 410 Cb 0.68 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3ik3 h SER 410 CO 0.02 1.59 -0.11 -0.07 -1.14 0.00 0.00 176.83 177.13 3ik3 h LEU 411 N 0.23 0.34 -0.11 5.07 3.38 -0.77 -2.41 115.31 121.04 3ik3 h LEU 411 Ca -0.19 -0.46 -0.24 0.00 0.09 0.00 0.00 57.88 57.07 3ik3 h LEU 411 Cb 1.97 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.64 3ik3 h LEU 411 CO 0.24 0.73 -0.92 0.00 0.09 0.00 0.00 178.44 178.58 3ik3 h ALA 412 N 0.62 0.25 0.00 1.53 0.00 -0.78 -3.40 119.26 117.48 3ik3 h ALA 412 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3ik3 h ALA 412 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ik3 h ALA 412 CO 0.03 0.71 0.00 0.66 0.00 0.00 0.00 179.25 180.65 3ik3 n TYR 413 N -3.87 0.00 -3.32 0.00 0.53 0.41 -4.99 117.16 105.93 3ik3 n TYR 413 Ca -0.09 -0.17 -0.23 0.00 -1.02 0.00 0.00 57.90 56.39 3ik3 n TYR 413 Cb 0.82 -0.02 0.00 0.00 -1.03 0.00 0.00 39.34 39.12 3ik3 n TYR 413 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 3ik3 n ASN 414 N -0.17 -4.13 -4.58 7.72 5.15 -0.91 -4.95 115.26 113.39 3ik3 n ASN 414 Ca 0.00 -0.38 -0.41 0.00 -0.60 0.00 0.00 54.58 53.19 3ik3 n ASN 414 Cb 0.29 -3.40 -0.07 0.00 -0.53 0.00 0.00 39.78 36.07 3ik3 n ASN 414 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ik3 s LYS 415 N -5.97 3.75 -0.05 1.20 1.02 -1.03 -4.94 119.74 113.73 3ik3 s LYS 415 Ca 0.39 0.05 0.04 0.00 0.02 0.00 0.00 55.97 56.47 3ik3 s LYS 415 Cb -0.20 -3.77 -0.02 0.00 -0.52 0.00 0.00 37.83 33.31 3ik3 s LYS 415 CO 0.48 -0.62 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.07 3ik3 s PHE 416 N 2.51 2.65 0.35 3.18 0.40 -1.26 -3.25 117.98 122.56 3ik3 s PHE 416 Ca 0.22 -0.20 -0.17 0.00 -0.60 0.00 0.00 56.93 56.18 3ik3 s PHE 416 Cb -0.15 -1.61 0.05 0.00 0.51 0.00 0.00 43.02 41.82 3ik3 s PHE 416 CO 0.13 0.15 0.80 -1.54 0.70 0.00 0.00 175.22 175.46 3ik3 s SER 417 N -0.71 -0.04 0.56 1.36 1.04 -1.26 -4.97 113.70 109.69 3ik3 s SER 417 Ca 0.11 -1.03 0.34 0.00 0.48 0.00 0.00 55.95 55.85 3ik3 s SER 417 Cb -0.11 0.81 1.61 0.00 0.10 0.00 0.00 66.02 68.43 3ik3 s SER 417 CO 0.00 -1.59 2.08 -0.29 0.98 0.00 0.00 173.24 174.43 3ik3 h ILE 418 N 2.00 0.17 0.00 -1.02 6.09 -1.99 -1.64 117.51 121.13 3ik3 h ILE 418 Ca -0.30 -0.45 -0.16 0.00 -1.37 0.00 0.00 64.86 62.59 3ik3 h ILE 418 Cb 1.25 1.38 -0.02 0.00 0.47 0.00 0.00 36.82 39.89 3ik3 h ILE 418 CO 0.38 0.05 -0.75 0.11 -3.07 0.00 0.00 178.15 174.87 3ik3 h LYS 419 N 0.00 0.00 0.00 2.19 1.79 -1.94 -1.81 116.57 116.80 3ik3 h LYS 419 Ca -0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 3ik3 h LYS 419 Cb 0.37 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3ik3 h LYS 419 CO 0.01 0.75 -0.35 0.66 -1.08 0.00 0.00 179.45 179.43 3ik3 h SER 420 N 0.00 0.00 -0.54 0.86 4.64 -1.67 -2.62 113.55 114.22 3ik3 h SER 420 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 3ik3 h SER 420 Cb 1.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 3ik3 h SER 420 CO 0.10 0.35 0.01 0.44 -0.87 0.00 0.00 176.83 176.86 3ik3 h ASP 421 N 0.00 0.93 -0.54 4.97 3.32 -1.11 -1.99 116.42 121.99 3ik3 h ASP 421 Ca -0.00 -0.30 0.07 0.00 0.02 0.00 0.00 57.03 56.82 3ik3 h ASP 421 Cb 0.80 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.04 3ik3 h ASP 421 CO 0.05 1.00 0.21 0.58 -1.72 0.00 0.00 179.24 179.36 3ik3 h VAL 422 N 0.82 0.82 -0.24 -1.35 2.07 -1.13 0.57 116.25 117.82 3ik3 h VAL 422 Ca 0.15 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3ik3 h VAL 422 Cb 0.52 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3ik3 h VAL 422 CO 0.03 0.07 -0.02 -0.25 0.02 0.00 0.00 177.57 177.42 3ik3 h TRP 423 N 0.40 -0.04 -0.65 1.57 2.91 -1.31 -0.61 115.95 118.21 3ik3 h TRP 423 Ca 0.26 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.29 3ik3 h TRP 423 Cb 0.28 0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.96 3ik3 h TRP 423 CO -0.16 -0.05 0.36 0.00 -1.03 0.00 0.00 178.44 177.56 3ik3 h ALA 424 N 1.21 0.84 -0.66 2.65 0.00 -0.60 -1.08 119.26 121.63 3ik3 h ALA 424 Ca 0.11 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3ik3 h ALA 424 Cb 0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3ik3 h ALA 424 CO -0.21 0.35 0.44 0.35 0.00 0.00 0.00 179.25 180.19 3ik3 h PHE 425 N 0.89 0.43 -0.59 0.00 3.57 0.60 0.38 116.94 122.21 3ik3 h PHE 425 Ca 0.23 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 3ik3 h PHE 425 Cb 0.04 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3ik3 h PHE 425 CO -0.01 0.19 0.11 0.78 -2.23 0.00 0.00 178.31 177.15 3ik3 h GLY 426 N 0.39 1.04 1.11 2.40 0.00 0.17 -0.58 103.07 107.60 3ik3 h GLY 426 Ca 0.31 -0.68 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 3ik3 h GLY 426 CO -0.09 0.63 -0.24 -2.08 0.00 0.00 0.00 176.54 174.77 3ik3 h VAL 427 N 0.87 1.27 -0.99 4.60 2.07 -0.55 -2.74 116.25 120.79 3ik3 h VAL 427 Ca 0.18 -1.40 0.08 0.00 0.82 0.00 0.00 66.70 66.38 3ik3 h VAL 427 Cb 0.40 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 3ik3 h VAL 427 CO 0.01 0.48 0.64 0.25 0.02 0.00 0.00 177.57 178.97 3ik3 h LEU 428 N 0.85 0.98 -1.46 2.57 5.85 -0.63 0.12 115.31 123.60 3ik3 h LEU 428 Ca 0.11 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.93 3ik3 h LEU 428 Cb 0.82 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3ik3 h LEU 428 CO 0.07 0.59 0.46 -0.07 -0.34 0.00 0.00 178.44 179.16 3ik3 h LEU 429 N 1.09 0.56 0.14 2.25 3.38 -0.80 0.76 115.31 122.69 3ik3 h LEU 429 Ca 0.45 0.01 -0.30 0.00 0.09 0.00 0.00 57.88 58.12 3ik3 h LEU 429 Cb 0.28 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 40.95 3ik3 h LEU 429 CO -0.20 0.35 -1.29 -0.25 0.09 0.00 0.00 178.44 177.14 3ik3 h TRP 430 N 0.63 0.94 -0.42 1.13 7.01 -0.92 0.13 115.95 124.44 3ik3 h TRP 430 Ca 0.32 -0.62 0.05 0.00 2.11 0.00 0.00 58.89 60.75 3ik3 h TRP 430 Cb 0.41 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.36 3ik3 h TRP 430 CO -0.00 1.46 0.15 0.93 -2.79 0.00 0.00 178.44 178.20 3ik3 h GLU 431 N 0.23 0.32 -0.37 2.65 5.08 -0.24 -0.60 114.58 121.65 3ik3 h GLU 431 Ca -0.20 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3ik3 h GLU 431 Cb 1.97 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 3ik3 h GLU 431 CO 0.24 0.21 0.22 0.82 -1.00 0.00 0.00 179.01 179.50 3ik3 h ILE 432 N 0.32 1.13 -0.66 3.13 2.04 -0.72 0.14 117.51 122.89 3ik3 h ILE 432 Ca 0.20 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.81 3ik3 h ILE 432 Cb 0.18 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3ik3 h ILE 432 CO -0.19 0.13 0.44 0.00 0.00 0.00 0.00 178.15 178.52 3ik3 h ALA 433 N 1.09 1.76 -0.69 1.87 0.00 -0.21 -2.24 119.26 120.85 3ik3 h ALA 433 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ik3 h ALA 433 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ik3 h ALA 433 CO -0.02 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.61 3ik3 n THR 434 N -4.48 0.92 -3.61 0.00 -2.24 -0.28 -4.88 114.28 99.71 3ik3 n THR 434 Ca 0.09 -0.92 -0.27 0.00 -2.27 0.00 0.00 64.05 60.68 3ik3 n THR 434 Cb 0.23 0.47 0.01 0.00 -2.10 0.00 0.00 70.33 68.95 3ik3 n THR 434 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3ik3 n TYR 435 N 1.53 -2.05 0.00 4.78 4.01 -0.84 -3.47 117.16 121.11 3ik3 n TYR 435 Ca 0.23 0.69 0.00 0.00 -0.16 0.00 0.00 57.90 58.67 3ik3 n TYR 435 Cb 0.58 -3.64 0.00 0.00 -0.31 0.00 0.00 39.34 35.97 3ik3 n TYR 435 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ik3 n GLY 436 N -1.47 1.01 3.67 2.72 0.00 0.45 -3.63 105.19 107.94 3ik3 n GLY 436 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3ik3 n GLY 436 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ik3 n MET 437 N -1.97 0.44 -2.52 1.61 2.81 -1.23 -4.93 117.12 111.33 3ik3 n MET 437 Ca 0.00 0.22 -0.40 0.00 -1.81 0.00 0.00 57.70 55.70 3ik3 n MET 437 Cb 0.00 -2.39 -0.05 0.00 -0.71 0.00 0.00 33.22 30.08 3ik3 n MET 437 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3ik3 s SER 438 N -1.84 7.33 0.83 7.83 0.15 -1.26 -4.75 113.70 122.00 3ik3 s SER 438 Ca 0.75 2.21 -0.11 0.00 0.70 0.00 0.00 55.95 59.50 3ik3 s SER 438 Cb -0.32 -2.62 0.09 0.00 -1.71 0.00 0.00 66.02 61.46 3ik3 s SER 438 CO 0.49 -0.10 1.10 -2.84 1.20 0.00 0.00 173.24 173.10 3ik3 s PRO 439 N -1.34 1.75 -1.36 5.44 0.02 -1.26 -3.96 135.00 134.28 3ik3 s PRO 439 Ca 0.44 1.21 -0.10 0.00 0.02 0.00 0.00 61.00 62.57 3ik3 s PRO 439 Cb -0.31 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.38 3ik3 s PRO 439 CO 0.39 -2.01 0.42 0.66 -0.33 0.00 0.00 177.00 176.12 3ik3 n TYR 440 N -3.78 -1.53 -1.66 6.54 4.02 -1.26 -4.77 117.16 114.71 3ik3 n TYR 440 Ca 0.09 0.52 -0.50 0.00 -0.01 0.00 0.00 57.90 58.01 3ik3 n TYR 440 Cb 0.53 -3.25 -0.05 0.00 -0.02 0.00 0.00 39.34 36.55 3ik3 n TYR 440 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3ik3 n PRO 441 N -4.55 1.82 -0.56 -0.72 -0.04 -1.25 -1.31 135.00 128.37 3ik3 n PRO 441 Ca -0.24 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 3ik3 n PRO 441 Cb 0.65 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3ik3 n PRO 441 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ik3 n GLY 442 N 3.65 1.43 3.72 0.55 0.00 -1.26 -5.02 105.19 108.26 3ik3 n GLY 442 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3ik3 n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ik3 s ILE 443 N -3.40 5.34 0.36 -0.61 1.01 -0.43 -5.06 121.20 118.41 3ik3 s ILE 443 Ca 0.00 0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.78 3ik3 s ILE 443 Cb 0.00 -3.57 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 3ik3 s ILE 443 CO 0.00 0.39 1.30 -1.81 0.00 0.00 0.00 174.94 174.82 3ik3 s ASP 444 N 0.55 6.62 0.45 3.58 1.01 -1.26 -4.88 116.67 122.74 3ik3 s ASP 444 Ca 0.13 2.66 0.15 0.00 0.71 0.00 0.00 52.55 56.20 3ik3 s ASP 444 Cb -0.13 -2.64 1.09 0.00 1.01 0.00 0.00 42.92 42.25 3ik3 s ASP 444 CO 0.02 -0.63 1.99 -0.07 0.21 0.00 0.00 175.17 176.69 3ik3 h LEU 445 N 3.13 0.30 -0.45 1.23 4.07 -1.97 -0.39 115.31 121.23 3ik3 h LEU 445 Ca -0.49 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.48 3ik3 h LEU 445 Cb 1.23 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.92 3ik3 h LEU 445 CO 0.64 0.18 0.00 -1.54 -1.08 0.00 0.00 178.44 176.64 3ik3 n SER 446 N -4.46 0.47 -0.00 -0.43 3.41 -1.26 -2.03 113.62 109.31 3ik3 n SER 446 Ca 0.09 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 3ik3 n SER 446 Cb 0.38 -0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 63.49 3ik3 n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ik3 n GLN 447 N -2.01 0.41 0.04 4.33 1.13 -0.16 -4.68 117.38 116.43 3ik3 n GLN 447 Ca 0.03 -0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 54.92 3ik3 n GLN 447 Cb 0.22 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.06 3ik3 n GLN 447 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3ik3 h VAL 448 N 0.00 0.68 -0.31 5.09 2.07 -1.33 -1.72 116.25 120.72 3ik3 h VAL 448 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3ik3 h VAL 448 Cb 0.64 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3ik3 h VAL 448 CO 0.00 0.00 0.11 0.22 0.02 0.00 0.00 177.57 177.92 3ik3 h TYR 449 N -0.20 0.48 -0.77 1.57 3.20 -1.84 -1.19 116.97 118.23 3ik3 h TYR 449 Ca 0.06 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.93 3ik3 h TYR 449 Cb 0.27 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 3ik3 h TYR 449 CO -0.20 0.47 0.47 0.93 -1.64 0.00 0.00 178.16 178.20 3ik3 h GLU 450 N 0.34 0.87 -0.47 1.82 4.39 -1.82 -0.22 114.58 119.50 3ik3 h GLU 450 Ca 0.10 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 3ik3 h GLU 450 Cb 0.21 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3ik3 h GLU 450 CO -0.01 0.57 0.09 -0.07 -1.16 0.00 0.00 179.01 178.44 3ik3 h LEU 451 N 0.89 0.73 -1.06 1.33 3.38 -1.07 -2.82 115.31 116.69 3ik3 h LEU 451 Ca 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ik3 h LEU 451 Cb 0.10 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3ik3 h LEU 451 CO -0.15 0.79 0.43 -0.07 0.09 0.00 0.00 178.44 179.53 3ik3 h LEU 452 N 0.64 0.97 -1.88 1.67 3.38 -0.56 -1.68 115.31 117.85 3ik3 h LEU 452 Ca 0.14 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3ik3 h LEU 452 Cb 0.36 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ik3 h LEU 452 CO 0.01 0.78 -0.13 -0.08 0.09 0.00 0.00 178.44 179.11 3ik3 h GLU 453 N 1.09 0.00 -0.05 1.13 4.81 -0.93 0.54 114.58 121.16 3ik3 h GLU 453 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3ik3 h GLU 453 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3ik3 h GLU 453 CO -0.04 0.13 0.00 1.63 -0.73 0.00 0.00 179.01 179.99 3ik3 n LYS 454 N -3.79 1.74 -0.73 1.92 5.02 -0.69 -4.92 118.16 116.70 3ik3 n LYS 454 Ca -0.02 -1.08 0.00 0.00 -2.02 0.00 0.00 58.31 55.19 3ik3 n LYS 454 Cb 0.23 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3ik3 n LYS 454 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3ik3 n ASP 455 N 0.30 -2.18 -4.77 4.39 4.64 0.18 -5.05 116.55 114.06 3ik3 n ASP 455 Ca 0.18 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 53.18 3ik3 n ASP 455 Cb 0.37 -0.36 -0.02 0.00 -1.04 0.00 0.00 41.12 40.07 3ik3 n ASP 455 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3ik3 s TYR 456 N -2.00 2.90 0.03 -0.67 5.04 -0.83 -5.00 117.35 116.83 3ik3 s TYR 456 Ca 0.00 1.26 -0.01 0.00 -2.44 0.00 0.00 57.07 55.88 3ik3 s TYR 456 Cb 0.00 -3.81 -0.02 0.00 0.35 0.00 0.00 41.96 38.48 3ik3 s TYR 456 CO 0.00 -2.36 -0.01 1.03 -1.34 0.00 0.00 175.55 172.88 3ik3 s ARG 457 N -1.61 0.42 0.28 4.97 1.81 -1.26 -4.24 118.95 119.32 3ik3 s ARG 457 Ca 0.52 -0.75 -0.29 0.00 -1.72 0.00 0.00 55.73 53.49 3ik3 s ARG 457 Cb -0.42 0.15 -0.14 0.00 -0.45 0.00 0.00 34.95 34.09 3ik3 s ARG 457 CO 0.54 -0.08 1.14 -1.33 -0.68 0.00 0.00 175.30 174.89 3ik3 n MET 458 N 1.16 1.60 -1.59 3.54 2.81 -1.26 -4.96 117.12 118.43 3ik3 n MET 458 Ca -0.21 0.56 -0.32 0.00 -1.81 0.00 0.00 57.70 55.92 3ik3 n MET 458 Cb 0.57 -2.03 0.06 0.00 -0.71 0.00 0.00 33.22 31.11 3ik3 n MET 458 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3ik3 s GLU 459 N -1.37 2.59 0.03 0.03 2.02 -1.26 -4.97 118.70 115.78 3ik3 s GLU 459 Ca 0.60 1.34 -0.32 0.00 0.02 0.00 0.00 54.97 56.62 3ik3 s GLU 459 Cb -0.68 -1.93 -0.10 0.00 0.10 0.00 0.00 34.13 31.52 3ik3 s GLU 459 CO 0.58 -1.40 1.91 -2.13 0.02 0.00 0.00 175.26 174.24 3ik3 n ARG 460 N -2.77 2.65 -1.81 1.61 0.63 -1.26 -4.96 116.66 110.75 3ik3 n ARG 460 Ca 0.10 0.97 -0.38 0.00 -0.92 0.00 0.00 57.85 57.63 3ik3 n ARG 460 Cb 0.52 -2.88 0.05 0.00 0.45 0.00 0.00 32.46 30.60 3ik3 n ARG 460 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3ik3 s PRO 461 N 3.85 2.93 -0.00 -0.14 0.02 -1.26 -4.87 135.00 135.53 3ik3 s PRO 461 Ca 0.88 2.11 -0.37 0.00 0.02 0.00 0.00 61.00 63.64 3ik3 s PRO 461 Cb -0.52 -2.08 -0.15 0.00 0.02 0.00 0.00 34.50 31.77 3ik3 s PRO 461 CO 0.43 -1.31 1.55 -1.91 -0.33 0.00 0.00 177.00 175.43 3ik3 n GLU 462 N -1.38 1.47 -0.96 5.54 4.07 -1.26 -1.34 120.64 126.77 3ik3 n GLU 462 Ca 0.13 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.76 3ik3 n GLU 462 Cb 0.47 -2.24 0.00 0.00 -0.06 0.00 0.00 31.44 29.61 3ik3 n GLU 462 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ik3 n GLY 463 N 3.31 0.85 3.69 8.31 0.00 -1.26 -5.00 105.19 115.09 3ik3 n GLY 463 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3ik3 n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ik3 n PRO 465 N 5.13 1.88 -0.26 0.00 -0.04 -1.26 -4.82 135.00 135.62 3ik3 n PRO 465 Ca 0.11 0.68 0.03 0.00 -0.04 0.00 0.00 63.50 64.28 3ik3 n PRO 465 Cb 0.46 -2.60 0.16 0.00 -0.04 0.00 0.00 33.50 31.48 3ik3 n PRO 465 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3ik3 h GLU 466 N 1.71 0.60 -0.47 0.54 4.57 -1.99 -1.74 114.58 117.80 3ik3 h GLU 466 Ca -0.51 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.56 3ik3 h GLU 466 Cb 1.29 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 3ik3 h GLU 466 CO 0.58 0.40 -0.01 -0.22 -1.18 0.00 0.00 179.01 178.58 3ik3 h LYS 467 N 0.62 0.77 -0.41 1.92 3.64 -1.99 0.11 116.57 121.23 3ik3 h LYS 467 Ca 0.38 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3ik3 h LYS 467 Cb 0.44 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3ik3 h LYS 467 CO -0.29 0.79 -0.10 0.28 -2.27 0.00 0.00 179.45 177.85 3ik3 h VAL 468 N 0.72 1.27 -0.10 2.00 2.07 -1.79 -2.14 116.25 118.28 3ik3 h VAL 468 Ca 0.14 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 3ik3 h VAL 468 Cb 0.45 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3ik3 h VAL 468 CO 0.02 0.40 -0.25 0.22 0.02 0.00 0.00 177.57 177.98 3ik3 h TYR 469 N 0.61 0.19 -0.47 1.57 3.20 -0.45 0.88 116.97 122.51 3ik3 h TYR 469 Ca 0.10 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3ik3 h TYR 469 Cb 0.63 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3ik3 h TYR 469 CO 0.05 0.42 0.27 0.93 -1.64 0.00 0.00 178.16 178.19 3ik3 h GLU 470 N 0.16 0.64 -0.63 1.82 5.08 -0.61 -0.05 114.58 121.00 3ik3 h GLU 470 Ca 0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3ik3 h GLU 470 Cb 0.54 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3ik3 h GLU 470 CO 0.04 0.49 0.28 -0.07 -1.00 0.00 0.00 179.01 178.75 3ik3 h LEU 471 N 0.62 0.84 -0.21 1.33 3.38 -0.81 -1.13 115.31 119.33 3ik3 h LEU 471 Ca 0.17 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3ik3 h LEU 471 Cb 0.02 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 3ik3 h LEU 471 CO -0.03 0.76 -0.24 0.24 0.09 0.00 0.00 178.44 179.26 3ik3 h MET 472 N 0.87 -0.25 0.00 1.13 2.86 -0.28 -0.42 114.93 118.84 3ik3 h MET 472 Ca 0.21 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 3ik3 h MET 472 Cb 0.16 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3ik3 h MET 472 CO -0.02 -0.17 -0.12 0.00 1.06 0.00 0.00 176.91 177.65 3ik3 h ARG 473 N -0.26 0.00 -0.22 1.72 2.47 -0.70 -1.48 114.38 115.91 3ik3 h ARG 473 Ca 0.13 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.65 3ik3 h ARG 473 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 3ik3 h ARG 473 CO -0.37 0.12 -0.63 0.00 0.56 0.00 0.00 179.97 179.66 3ik3 h ALA 474 N 1.88 0.48 0.00 0.04 0.00 -0.53 -2.75 119.26 118.37 3ik3 h ALA 474 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3ik3 h ALA 474 Cb 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ik3 h ALA 474 CO 0.02 0.69 -0.09 0.00 0.00 0.00 0.00 179.25 179.87 3ik3 n TRP 476 N -3.94 2.46 -1.77 0.00 8.01 -0.69 -3.64 117.44 117.88 3ik3 n TRP 476 Ca -0.02 -1.25 -0.41 0.00 -1.31 0.00 0.00 57.50 54.51 3ik3 n TRP 476 Cb 0.18 -0.71 0.01 0.00 -2.01 0.00 0.00 31.31 28.77 3ik3 n TRP 476 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3ik3 n GLN 477 N -0.27 2.54 -0.09 -0.99 1.13 -0.98 -4.92 117.38 113.79 3ik3 n GLN 477 Ca 0.42 0.89 -0.11 0.00 -1.94 0.00 0.00 57.00 56.26 3ik3 n GLN 477 Cb 1.39 -2.65 -0.04 0.00 0.11 0.00 0.00 30.24 29.05 3ik3 n GLN 477 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 3ik3 h TRP 478 N 2.73 0.49 -2.95 1.08 2.91 -1.92 -3.40 115.95 114.89 3ik3 h TRP 478 Ca -0.51 -0.08 -0.57 0.00 1.13 0.00 0.00 58.89 58.87 3ik3 h TRP 478 Cb 1.25 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 29.73 3ik3 h TRP 478 CO 0.52 0.60 0.86 1.21 -1.03 0.00 0.00 178.44 180.60 3ik3 s ASN 479 N -5.94 6.97 0.42 2.65 3.84 -1.26 -4.86 114.94 116.76 3ik3 s ASN 479 Ca -0.14 1.70 0.12 0.00 0.21 0.00 0.00 52.86 54.75 3ik3 s ASN 479 Cb 0.08 -2.54 0.96 0.00 -0.55 0.00 0.00 41.25 39.19 3ik3 s ASN 479 CO 0.75 -0.73 1.98 1.55 -2.79 0.00 0.00 177.10 177.86 3ik3 h PRO 480 N 8.04 0.48 0.00 0.43 0.13 -1.95 -0.78 132.00 138.35 3ik3 h PRO 480 Ca -0.28 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 3ik3 h PRO 480 Cb 1.11 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3ik3 h PRO 480 CO 0.95 0.32 -0.03 0.66 -0.23 0.00 0.00 178.00 179.68 3ik3 h SER 481 N 0.49 0.00 0.74 1.44 4.64 -1.94 -1.64 113.55 117.28 3ik3 h SER 481 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3ik3 h SER 481 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3ik3 h SER 481 CO -0.08 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.37 3ik3 n ASP 482 N -3.14 0.00 -4.81 4.97 8.00 -0.30 -4.85 116.55 116.42 3ik3 n ASP 482 Ca -0.00 0.15 -0.37 0.00 0.71 0.00 0.00 54.79 55.28 3ik3 n ASP 482 Cb 0.28 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 3ik3 n ASP 482 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3ik3 s ARG 483 N -2.76 4.34 0.95 -1.24 0.52 -0.62 -4.89 118.95 115.25 3ik3 s ARG 483 Ca 0.22 0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 56.29 3ik3 s ARG 483 Cb 0.19 -2.92 0.16 0.00 0.52 0.00 0.00 34.95 32.90 3ik3 s ARG 483 CO 0.48 0.40 1.12 -1.25 0.02 0.00 0.00 175.30 176.07 3ik3 s PRO 484 N -1.87 0.76 0.59 3.54 0.04 -1.26 -5.02 135.00 131.78 3ik3 s PRO 484 Ca 0.43 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.73 3ik3 s PRO 484 Cb -0.18 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 3ik3 s PRO 484 CO 0.22 -2.74 0.93 -1.54 0.04 0.00 0.00 177.00 173.91 3ik3 s SER 485 N -2.74 5.90 0.42 6.66 1.04 -1.26 -4.93 113.70 118.79 3ik3 s SER 485 Ca 0.66 1.01 0.15 0.00 0.48 0.00 0.00 55.95 58.26 3ik3 s SER 485 Cb -0.22 -2.07 0.92 0.00 0.10 0.00 0.00 66.02 64.74 3ik3 s SER 485 CO 0.59 -0.93 1.92 -0.26 0.98 0.00 0.00 173.24 175.54 3ik3 h PHE 486 N -0.18 0.00 -0.37 5.02 -1.00 -1.92 -0.21 116.94 118.27 3ik3 h PHE 486 Ca -0.45 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.38 3ik3 h PHE 486 Cb 1.23 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.73 3ik3 h PHE 486 CO 0.55 0.26 0.07 0.00 -1.61 0.00 0.00 178.31 177.58 3ik3 h ALA 487 N 1.74 0.40 -0.39 2.45 0.00 -1.89 0.30 119.26 121.85 3ik3 h ALA 487 Ca -0.00 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3ik3 h ALA 487 Cb 0.49 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ik3 h ALA 487 CO 0.03 -0.33 -0.23 0.93 0.00 0.00 0.00 179.25 179.65 3ik3 h GLU 488 N 0.19 0.85 0.06 0.00 5.08 -1.80 -2.55 114.58 116.41 3ik3 h GLU 488 Ca 0.18 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3ik3 h GLU 488 Cb 0.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3ik3 h GLU 488 CO -0.24 1.03 -0.03 0.82 -1.00 0.00 0.00 179.01 179.59 3ik3 h ILE 489 N 0.66 1.04 -0.82 3.13 2.04 -0.52 -2.66 117.51 120.37 3ik3 h ILE 489 Ca 0.08 -0.34 0.10 0.00 1.00 0.00 0.00 64.86 65.71 3ik3 h ILE 489 Cb 0.80 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 38.06 3ik3 h ILE 489 CO 0.07 0.08 0.46 -0.74 0.00 0.00 0.00 178.15 178.02 3ik3 h HIS 490 N -0.24 0.84 -0.70 1.37 2.76 -0.42 -1.74 115.15 117.03 3ik3 h HIS 490 Ca -0.01 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3ik3 h HIS 490 Cb 0.20 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 3ik3 h HIS 490 CO -0.02 0.32 0.32 0.37 -1.30 0.00 0.00 177.93 177.62 3ik3 h GLN 491 N 0.76 1.01 -0.48 5.26 4.15 -1.27 0.21 115.11 124.76 3ik3 h GLN 491 Ca 0.40 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 3ik3 h GLN 491 Cb 0.40 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 3ik3 h GLN 491 CO -0.26 0.81 0.28 0.00 -1.93 0.00 0.00 178.83 177.73 3ik3 h ALA 492 N 1.15 0.61 -0.16 3.38 0.00 -1.11 -1.66 119.26 121.48 3ik3 h ALA 492 Ca 0.24 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 3ik3 h ALA 492 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ik3 h ALA 492 CO -0.03 0.11 -0.60 0.74 0.00 0.00 0.00 179.25 179.47 3ik3 h PHE 493 N 0.64 0.67 -0.62 0.00 0.04 -0.83 -1.16 116.94 115.68 3ik3 h PHE 493 Ca 0.17 -0.25 0.04 0.00 2.80 0.00 0.00 57.97 60.73 3ik3 h PHE 493 Cb 0.01 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 3ik3 h PHE 493 CO -0.03 0.99 0.36 1.49 -0.60 0.00 0.00 178.31 180.53 3ik3 h GLU 494 N 0.39 0.68 0.21 1.51 4.57 -0.48 0.48 114.58 121.94 3ik3 h GLU 494 Ca -0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3ik3 h GLU 494 Cb 1.15 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 3ik3 h GLU 494 CO 0.11 0.45 -0.10 1.15 -1.18 0.00 0.00 179.01 179.44 3ik3 h THR 495 N 0.70 0.87 -0.89 0.32 2.02 -1.05 -0.24 112.91 114.64 3ik3 h THR 495 Ca 0.26 -0.44 0.10 0.00 0.77 0.00 0.00 66.41 67.09 3ik3 h THR 495 Cb 0.08 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 3ik3 h THR 495 CO -0.13 0.10 0.58 0.24 0.37 0.00 0.00 175.52 176.68 3ik3 h MET 496 N -0.50 0.87 -0.13 6.66 2.86 -1.00 -0.65 114.93 123.04 3ik3 h MET 496 Ca -0.03 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 3ik3 h MET 496 Cb 0.38 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3ik3 h MET 496 CO 0.05 0.57 -0.03 0.35 1.06 0.00 0.00 176.91 178.92 3ik3 h PHE 497 N 0.89 0.28 -0.60 -0.22 3.04 0.20 -0.59 116.94 119.94 3ik3 h PHE 497 Ca 0.41 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 3ik3 h PHE 497 Cb 0.40 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 3ik3 h PHE 497 CO -0.00 0.53 0.33 1.96 -2.02 0.00 0.00 178.31 179.11 3ik3 h GLN 498 N -0.05 0.84 -0.82 1.11 1.08 -0.61 -0.28 115.11 116.37 3ik3 h GLN 498 Ca 0.03 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 3ik3 h GLN 498 Cb 0.44 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 3ik3 h GLN 498 CO 0.01 0.64 0.53 1.49 -0.95 0.00 0.00 178.83 180.55 3ik3 h GLU 499 N 0.81 1.01 -0.31 1.46 4.81 -1.08 -2.68 114.58 118.60 3ik3 h GLU 499 Ca 0.21 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 3ik3 h GLU 499 Cb 0.04 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3ik3 h GLU 499 CO -0.03 0.67 -0.21 1.03 -0.73 0.00 0.00 179.01 179.74 3ik3 h SER 500 N 1.04 0.58 -0.69 1.04 0.87 -0.63 -2.24 113.55 113.53 3ik3 h SER 500 Ca 0.32 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3ik3 h SER 500 Cb -0.02 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3ik3 h SER 500 CO -0.10 0.79 0.29 0.28 -0.53 0.00 0.00 176.83 177.56 3ik3 h SER 501 N 0.52 0.94 0.12 6.23 0.02 -0.76 0.42 113.55 121.03 3ik3 h SER 501 Ca 0.08 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3ik3 h SER 501 Cb 0.65 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3ik3 h SER 501 CO 0.05 0.84 -0.06 0.40 -1.14 0.00 0.00 176.83 176.92 3ik3 h ILE 502 N 0.97 0.99 -0.26 3.27 1.08 -1.40 -2.00 117.51 120.16 3ik3 h ILE 502 Ca 0.23 -0.41 0.04 0.00 -0.39 0.00 0.00 64.86 64.33 3ik3 h ILE 502 Cb 0.18 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 3ik3 h ILE 502 CO -0.02 0.10 0.03 -1.28 -0.69 0.00 0.00 178.15 176.28 3ik3 h SER 503 N -0.35 -0.05 -0.45 1.72 0.87 -1.18 0.21 113.55 114.31 3ik3 h SER 503 Ca -0.02 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.68 3ik3 h SER 503 Cb 0.29 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.24 3ik3 h SER 503 CO 0.03 0.01 -0.11 -0.78 -0.53 0.00 0.00 176.83 175.44 3ik3 h ASP 504 N 0.11 -0.42 0.75 6.23 1.82 -0.14 0.33 116.42 125.11 3ik3 h ASP 504 Ca 0.12 0.14 -0.09 0.00 -0.39 0.00 0.00 57.03 56.81 3ik3 h ASP 504 Cb 0.15 0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 3ik3 h ASP 504 CO -0.19 -0.15 -0.42 -0.33 -1.61 0.00 0.00 179.24 176.54 3ik3 h GLU 505 N -0.00 0.00 -0.06 0.28 5.08 -0.57 0.15 114.58 119.47 3ik3 h GLU 505 Ca 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3ik3 h GLU 505 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3ik3 h GLU 505 CO -0.46 0.42 0.01 0.28 -1.00 0.00 0.00 179.01 178.26 3ik3 h VAL 506 N 0.00 1.21 -0.68 3.13 2.07 0.40 -2.78 116.25 119.60 3ik3 h VAL 506 Ca -0.00 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3ik3 h VAL 506 Cb 0.91 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 3ik3 h VAL 506 CO 0.06 0.17 0.42 -0.08 0.02 0.00 0.00 177.57 178.16 3ik3 h GLU 507 N -0.14 0.81 -0.28 1.57 4.81 0.64 -1.64 114.58 120.34 3ik3 h GLU 507 Ca 0.02 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3ik3 h GLU 507 Cb 0.26 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3ik3 h GLU 507 CO 0.00 0.53 0.16 0.87 -0.73 0.00 0.00 179.01 179.85 3ik3 h LYS 508 N 0.83 0.33 0.26 1.92 1.57 -0.76 -2.70 116.57 118.02 3ik3 h LYS 508 Ca 0.27 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3ik3 h LYS 508 Cb 0.02 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3ik3 h LYS 508 CO -0.11 0.22 -0.35 1.49 -0.57 0.00 0.00 179.45 180.13 3ik3 h GLU 509 N 0.34 -0.65 0.00 3.15 4.57 -1.10 -1.01 114.58 119.88 3ik3 h GLU 509 Ca 0.11 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3ik3 h GLU 509 Cb -0.00 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3ik3 h GLU 509 CO -0.05 -0.43 0.00 -0.07 -1.18 0.00 0.00 179.01 177.28 3ik3 h LEU 510 N -0.67 0.00 -0.88 1.64 3.38 -1.28 0.60 115.31 118.09 3ik3 h LEU 510 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3ik3 h LEU 510 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3ik3 h LEU 510 CO -0.12 0.00 -0.41 1.23 0.09 0.00 0.00 178.44 179.23 3ik3 h GLY 511 N 0.06 0.33 1.63 0.83 0.00 -0.83 -2.74 103.07 102.35 3ik3 h GLY 511 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3ik3 h GLY 511 CO 0.00 0.28 0.16 0.50 0.00 0.00 0.00 176.54 177.49 3ik3 h LYS 512 N 0.25 0.00 -0.02 4.80 6.56 -0.87 -3.52 116.57 123.77 3ik3 h LYS 512 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 3ik3 h LYS 512 Cb 0.84 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 3ik3 h LYS 512 CO 0.07 0.00 0.00 0.54 -2.06 0.00 0.00 179.45 178.00