#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 0.23 0.50 1.61 0.01 -1.26 -5.07 113.70 109.72 3ik3 s SER 229 Ca 0.00 -0.86 0.22 0.00 1.31 0.00 0.00 55.95 56.62 3ik3 s SER 229 Cb 0.00 0.32 1.28 0.00 0.21 0.00 0.00 66.02 67.83 3ik3 s SER 229 CO 0.00 -0.73 1.99 -0.65 0.41 0.00 0.00 173.24 174.26 3ik3 h PRO 230 N 2.83 0.12 -0.37 12.44 0.11 -2.12 -1.73 132.00 143.28 3ik3 h PRO 230 Ca -0.34 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.62 3ik3 h PRO 230 Cb 1.19 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 3ik3 h PRO 230 CO 0.58 0.08 -0.00 -1.71 -0.21 0.00 0.00 178.00 176.73 3ik3 n ASN 231 N -4.42 3.01 -4.75 -2.05 4.05 -1.26 -4.99 115.26 104.85 3ik3 n ASN 231 Ca 0.10 -3.52 -0.41 0.00 0.45 0.00 0.00 54.58 51.20 3ik3 n ASN 231 Cb 0.54 -0.62 -0.03 0.00 1.23 0.00 0.00 39.78 40.90 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 -3.12 3.31 -0.06 1.20 5.04 -0.65 -5.03 117.35 118.04 3ik3 s TYR 232 Ca 0.45 1.39 -0.01 0.00 -2.44 0.00 0.00 57.07 56.46 3ik3 s TYR 232 Cb 0.39 -3.53 0.03 0.00 0.35 0.00 0.00 41.96 39.20 3ik3 s TYR 232 CO 0.03 -1.50 0.01 0.34 -1.34 0.00 0.00 175.55 173.10 3ik3 s ASP 233 N -0.10 1.27 0.57 4.32 3.68 -1.26 -4.95 116.67 120.19 3ik3 s ASP 233 Ca 0.52 -0.05 0.33 0.00 2.13 0.00 0.00 52.55 55.48 3ik3 s ASP 233 Cb -0.36 -0.35 1.72 0.00 -1.45 0.00 0.00 42.92 42.49 3ik3 s ASP 233 CO 0.41 -0.18 2.16 0.07 0.13 0.00 0.00 175.17 177.77 3ik3 h LYS 234 N 8.08 0.00 0.00 4.34 2.10 -2.03 -1.99 116.57 127.07 3ik3 h LYS 234 Ca -0.23 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.36 3ik3 h LYS 234 Cb 1.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 3ik3 h LYS 234 CO 0.29 0.06 -1.31 0.91 -2.00 0.00 0.00 179.45 177.40 3ik3 n TRP 235 N -3.46 0.80 -2.68 0.07 7.02 -1.26 -4.95 117.44 112.98 3ik3 n TRP 235 Ca -0.02 0.24 -0.41 0.00 -1.02 0.00 0.00 57.50 56.30 3ik3 n TRP 235 Cb 0.19 -0.93 -0.05 0.00 -2.42 0.00 0.00 31.31 28.10 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 -3.25 4.72 0.39 -0.99 0.41 -0.75 -1.16 118.70 118.07 3ik3 s GLU 236 Ca -0.03 1.52 0.08 0.00 -0.41 0.00 0.00 54.97 56.14 3ik3 s GLU 236 Cb 0.10 -3.33 -0.07 0.00 -1.78 0.00 0.00 34.13 29.05 3ik3 s GLU 236 CO 0.82 0.27 0.01 -1.64 -0.49 0.00 0.00 175.26 174.22 3ik3 s MET 237 N -0.42 1.98 -0.04 1.61 -1.94 0.01 -4.88 119.30 115.62 3ik3 s MET 237 Ca 0.46 -2.00 -0.18 0.00 -1.71 0.00 0.00 55.69 52.25 3ik3 s MET 237 Cb -0.25 -1.73 -0.05 0.00 2.01 0.00 0.00 34.83 34.81 3ik3 s MET 237 CO 0.32 0.00 0.50 -1.21 -0.01 0.00 0.00 175.02 174.62 3ik3 s GLU 238 N -3.71 4.22 0.46 2.03 0.41 -1.26 -4.57 118.70 116.27 3ik3 s GLU 238 Ca 0.35 0.54 0.19 0.00 -0.41 0.00 0.00 54.97 55.65 3ik3 s GLU 238 Cb 0.07 -3.34 1.16 0.00 -1.78 0.00 0.00 34.13 30.23 3ik3 s GLU 238 CO 0.18 0.39 1.93 0.00 -0.49 0.00 0.00 175.26 177.27 3ik3 h ARG 239 N 5.74 0.29 0.00 1.61 3.08 -1.96 -0.38 114.38 122.76 3ik3 h ARG 239 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3ik3 h ARG 239 Cb 1.20 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3ik3 h ARG 239 CO 0.69 0.19 0.00 0.25 -1.07 0.00 0.00 179.97 180.03 3ik3 n THR 240 N -4.45 0.53 0.35 2.04 -2.24 -1.26 -1.42 114.28 107.84 3ik3 n THR 240 Ca 0.14 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.18 3ik3 n THR 240 Cb 0.59 -0.84 0.54 0.00 -2.10 0.00 0.00 70.33 68.52 3ik3 n THR 240 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ik3 h ASP 241 N 0.00 0.00 -3.11 3.42 3.32 -1.45 -3.44 116.42 115.15 3ik3 h ASP 241 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 3ik3 h ASP 241 Cb 0.18 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.39 3ik3 h ASP 241 CO 0.00 0.00 -0.86 -0.63 -1.72 0.00 0.00 179.24 176.03 3ik3 s ILE 242 N -3.40 2.01 -0.25 0.35 -1.09 -0.51 -1.27 121.20 117.03 3ik3 s ILE 242 Ca 0.03 -0.92 -0.28 0.00 -2.23 0.00 0.00 60.65 57.25 3ik3 s ILE 242 Cb 0.09 -1.80 0.01 0.00 -1.58 0.00 0.00 42.46 39.17 3ik3 s ILE 242 CO 0.38 0.53 0.98 -0.89 -1.23 0.00 0.00 174.94 174.72 3ik3 s THR 243 N 1.15 4.69 -0.11 2.92 2.01 0.86 -4.87 115.64 122.28 3ik3 s THR 243 Ca 0.01 1.82 -0.16 0.00 0.31 0.00 0.00 61.69 63.67 3ik3 s THR 243 Cb -0.14 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 3ik3 s THR 243 CO -0.09 -0.22 0.40 -0.04 -0.69 0.00 0.00 174.62 173.98 3ik3 s MET 244 N 3.19 4.24 0.00 4.92 -1.94 -1.26 -0.61 119.30 127.83 3ik3 s MET 244 Ca 0.42 0.31 0.00 0.00 -1.71 0.00 0.00 55.69 54.71 3ik3 s MET 244 Cb -0.14 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 33.30 3ik3 s MET 244 CO 0.08 0.28 0.00 1.63 -0.01 0.00 0.00 175.02 177.00 3ik3 n LYS 245 N 3.33 2.46 -2.05 2.03 5.02 0.25 -5.00 118.16 124.22 3ik3 n LYS 245 Ca -0.10 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.87 3ik3 n LYS 245 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.54 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 3.57 3.03 0.18 2.13 -3.43 -1.26 -4.62 115.29 114.90 3ik3 s HIS 246 Ca 0.00 1.50 -0.30 0.00 -0.80 0.00 0.00 55.06 55.46 3ik3 s HIS 246 Cb 0.00 -2.98 -0.09 0.00 -1.43 0.00 0.00 32.58 28.08 3ik3 s HIS 246 CO 0.00 -1.06 1.33 0.21 -2.00 0.00 0.00 174.74 173.22 3ik3 s LYS 247 N -4.13 4.37 0.35 -0.38 2.20 -1.26 -0.68 119.74 120.21 3ik3 s LYS 247 Ca 0.63 2.06 -0.26 0.00 -0.36 0.00 0.00 55.97 58.04 3ik3 s LYS 247 Cb -0.15 -3.21 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 3ik3 s LYS 247 CO 0.37 -0.29 1.07 -0.51 -0.36 0.00 0.00 175.35 175.63 3ik3 s LEU 248 N 0.14 4.30 -1.10 5.43 1.43 0.03 -3.92 118.68 124.99 3ik3 s LEU 248 Ca 0.58 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 3ik3 s LEU 248 Cb -0.37 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 41.88 3ik3 s LEU 248 CO 0.37 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.19 3ik3 n GLY 249 N 0.68 1.14 2.96 -3.19 0.00 -1.26 -2.29 105.19 103.22 3ik3 n GLY 249 Ca 0.03 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.20 -0.51 0.00 -0.02 0.00 -1.25 -2.45 105.19 99.75 3ik3 n GLY 250 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.30 0.07 0.10 -0.02 0.00 -0.97 -4.94 105.19 98.13 3ik3 n GLY 251 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.99 0.17 -0.24 1.61 10.64 -1.03 -1.68 117.38 124.87 3ik3 n GLN 252 Ca 0.00 0.36 0.10 0.00 -1.83 0.00 0.00 57.00 55.63 3ik3 n GLN 252 Cb 0.00 -1.80 0.22 0.00 -0.86 0.00 0.00 30.24 27.81 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 -2.11 0.63 -4.09 2.61 4.02 -1.26 -5.04 117.16 111.91 3ik3 n TYR 253 Ca 0.03 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 3ik3 n TYR 253 Cb 0.25 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 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 1.21 -0.14 2.47 2.72 0.00 -0.67 -4.29 105.19 106.48 3ik3 n GLY 254 Ca 0.18 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 2.05 3.38 -4.65 1.61 -0.58 -1.26 -4.71 120.64 116.46 3ik3 n GLU 255 Ca 0.00 -2.33 -0.33 0.00 -0.42 0.00 0.00 57.16 54.08 3ik3 n GLU 255 Cb 0.00 -2.97 -0.16 0.00 -0.57 0.00 0.00 31.44 27.74 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 2.56 2.45 0.03 2.62 1.01 -1.26 -1.77 120.40 126.05 3ik3 s VAL 256 Ca 0.61 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.84 3ik3 s VAL 256 Cb 0.16 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3ik3 s VAL 256 CO -0.07 0.53 -0.26 -0.31 0.00 0.00 0.00 175.10 174.99 3ik3 s TYR 257 N 0.74 2.28 0.27 5.22 1.51 0.24 -0.79 117.35 126.82 3ik3 s TYR 257 Ca -0.08 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.28 3ik3 s TYR 257 Cb -0.16 -1.38 -0.10 0.00 -0.11 0.00 0.00 41.96 40.21 3ik3 s TYR 257 CO 0.01 0.10 1.37 -2.00 -1.11 0.00 0.00 175.55 173.91 3ik3 s GLU 258 N -1.13 4.32 0.32 -0.62 2.12 0.14 -0.20 118.70 123.65 3ik3 s GLU 258 Ca 0.11 2.24 0.06 0.00 0.36 0.00 0.00 54.97 57.74 3ik3 s GLU 258 Cb -0.10 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 3ik3 s GLU 258 CO 0.02 -0.31 0.24 0.20 -0.54 0.00 0.00 175.26 174.87 3ik3 s GLY 259 N 0.03 2.27 -0.03 -1.50 0.00 0.75 -0.58 107.32 108.26 3ik3 s GLY 259 Ca 0.55 -1.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 3ik3 s GLY 259 CO 0.47 -1.51 0.05 0.14 0.00 0.00 0.00 173.10 172.25 3ik3 s VAL 260 N -3.50 -0.09 -0.77 1.40 1.01 0.22 -1.07 120.40 117.60 3ik3 s VAL 260 Ca 0.39 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.42 3ik3 s VAL 260 Cb 0.03 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.32 3ik3 s VAL 260 CO 0.24 0.13 1.36 0.86 0.00 0.00 0.00 175.10 177.69 3ik3 s TRP 261 N 1.60 2.26 0.08 5.22 -0.11 -0.50 -0.10 118.94 127.39 3ik3 s TRP 261 Ca -0.03 -0.09 -0.24 0.00 1.22 0.00 0.00 56.10 56.97 3ik3 s TRP 261 Cb -0.12 -4.59 -0.10 0.00 -1.50 0.00 0.00 33.47 27.16 3ik3 s TRP 261 CO -0.03 -2.07 1.38 0.87 -4.62 0.00 0.00 176.95 172.47 3ik3 h LYS 262 N 10.37 -0.45 -0.98 5.86 1.57 -1.39 -1.18 116.57 130.38 3ik3 h LYS 262 Ca -0.21 0.03 0.34 0.00 -1.87 0.00 0.00 60.65 58.94 3ik3 h LYS 262 Cb 1.05 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.30 3ik3 h LYS 262 CO 1.30 -0.30 0.47 -0.22 -0.57 0.00 0.00 179.45 180.13 3ik3 h LYS 263 N -0.46 0.18 -0.37 3.15 3.64 -1.90 0.16 116.57 120.96 3ik3 h LYS 263 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ik3 h LYS 263 Cb 0.50 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3ik3 h LYS 263 CO -0.25 0.12 0.00 0.66 -2.27 0.00 0.00 179.45 177.71 3ik3 n TYR 264 N -5.18 0.70 0.00 1.91 4.02 -0.77 -4.99 117.16 112.85 3ik3 n TYR 264 Ca 0.32 -0.61 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 3ik3 n TYR 264 Cb 1.02 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 40.22 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 0.34 0.00 0.00 7.72 7.64 0.55 -4.91 113.62 124.96 3ik3 n SER 265 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 3ik3 n SER 265 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 3ik3 n SER 265 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ik3 n LEU 266 N 0.00 0.00 -4.73 -3.43 7.94 -1.25 -2.72 117.00 112.82 3ik3 n LEU 266 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 3ik3 n LEU 266 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3ik3 n LEU 266 CO 0.00 0.00 0.88 -0.89 -1.11 0.00 0.00 177.39 176.27 3ik3 s THR 267 N 0.00 3.73 0.24 1.96 2.01 -1.26 -1.41 115.64 120.90 3ik3 s THR 267 Ca 0.00 1.38 0.05 0.00 0.31 0.00 0.00 61.69 63.42 3ik3 s THR 267 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 3ik3 s THR 267 CO 0.00 0.18 -0.03 0.68 -0.69 0.00 0.00 174.62 174.76 3ik3 s VAL 268 N 0.32 1.28 -0.10 3.82 -7.23 -0.23 -2.85 120.40 115.42 3ik3 s VAL 268 Ca 0.55 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3ik3 s VAL 268 Cb -0.32 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 3ik3 s VAL 268 CO 0.34 -0.36 0.03 0.00 -0.31 0.00 0.00 175.10 174.80 3ik3 s ALA 269 N -3.26 3.40 -0.13 1.32 0.00 -0.16 -0.18 121.76 122.76 3ik3 s ALA 269 Ca 0.28 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3ik3 s ALA 269 Cb 0.05 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.60 3ik3 s ALA 269 CO 0.09 0.57 -0.11 0.08 0.00 0.00 0.00 175.76 176.40 3ik3 s VAL 270 N -0.85 1.27 -0.04 0.00 1.01 0.72 -1.46 120.40 121.05 3ik3 s VAL 270 Ca 0.13 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 3ik3 s VAL 270 Cb -0.12 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3ik3 s VAL 270 CO 0.03 0.41 0.36 -0.75 0.00 0.00 0.00 175.10 175.14 3ik3 s LYS 271 N 1.56 3.89 0.07 2.72 2.20 -0.05 -0.59 119.74 129.53 3ik3 s LYS 271 Ca 0.04 0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.99 3ik3 s LYS 271 Cb -0.13 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 3ik3 s LYS 271 CO -0.09 0.64 -0.14 0.95 -0.36 0.00 0.00 175.35 176.35 3ik3 s THR 272 N -0.83 1.09 -0.09 3.43 -4.23 -0.73 -0.83 115.64 113.46 3ik3 s THR 272 Ca 0.22 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 3ik3 s THR 272 Cb -0.15 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.66 3ik3 s THR 272 CO 0.11 -0.21 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.69 3ik3 s LEU 273 N -1.69 1.18 0.57 4.79 2.96 -0.84 -4.77 118.68 120.87 3ik3 s LEU 273 Ca -0.02 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3ik3 s LEU 273 Cb -0.10 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 3ik3 s LEU 273 CO 0.02 -0.10 0.90 -0.54 -1.32 0.00 0.00 176.35 175.32 3ik3 s LYS 274 N 1.45 3.32 1.02 1.98 1.02 -1.26 -1.04 119.74 126.22 3ik3 s LYS 274 Ca -0.01 0.29 -0.12 0.00 0.02 0.00 0.00 55.97 56.16 3ik3 s LYS 274 Cb -0.13 -2.24 0.20 0.00 -0.52 0.00 0.00 37.83 35.13 3ik3 s LYS 274 CO -0.04 -0.51 1.08 -1.83 -0.92 0.00 0.00 175.35 173.13 3ik3 s GLU 275 N -4.97 0.22 -0.03 1.68 -1.05 -1.26 -4.02 118.70 109.27 3ik3 s GLU 275 Ca 0.52 0.99 0.00 0.00 -0.15 0.00 0.00 54.97 56.33 3ik3 s GLU 275 Cb -0.11 -1.68 0.00 0.00 -0.44 0.00 0.00 34.13 31.91 3ik3 s GLU 275 CO 0.48 -3.00 0.00 -0.25 0.95 0.00 0.00 175.26 173.44 3ik3 n ASP 276 N -4.43 -3.16 -4.96 0.83 8.00 -1.26 -5.02 116.55 106.54 3ik3 n ASP 276 Ca 0.06 0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.35 3ik3 n ASP 276 Cb 0.54 -0.69 -0.00 0.00 -0.02 0.00 0.00 41.12 40.95 3ik3 n ASP 276 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ik3 s THR 277 N -1.97 4.52 -0.43 -3.53 2.01 -1.26 -5.00 115.64 109.98 3ik3 s THR 277 Ca 0.00 -0.65 0.10 0.00 0.31 0.00 0.00 61.69 61.45 3ik3 s THR 277 Cb 0.00 -3.63 0.60 0.00 0.01 0.00 0.00 72.50 69.48 3ik3 s THR 277 CO 0.00 -0.37 1.45 0.23 -0.69 0.00 0.00 174.62 175.24 3ik3 n MET 278 N -1.82 3.77 -0.08 4.92 2.81 -1.26 -4.29 117.12 121.17 3ik3 n MET 278 Ca -0.02 -2.34 0.03 0.00 -1.81 0.00 0.00 57.70 53.56 3ik3 n MET 278 Cb 0.57 -2.06 0.07 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.38 2.60 -0.12 0.03 1.02 -1.26 -4.75 120.64 118.54 3ik3 n GLU 279 Ca 0.22 -1.69 -0.07 0.00 -0.02 0.00 0.00 57.16 55.60 3ik3 n GLU 279 Cb 0.99 -1.14 0.01 0.00 -0.02 0.00 0.00 31.44 31.28 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 1.08 1.01 -0.47 2.62 2.07 -1.97 -1.31 116.25 119.28 3ik3 h VAL 280 Ca 0.00 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 3ik3 h VAL 280 Cb 0.58 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3ik3 h VAL 280 CO 0.00 0.08 0.15 -0.08 0.02 0.00 0.00 177.57 177.74 3ik3 h GLU 281 N 0.44 0.73 -0.54 1.57 4.57 -1.94 -0.90 114.58 118.50 3ik3 h GLU 281 Ca 0.16 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 58.10 3ik3 h GLU 281 Cb 0.03 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3ik3 h GLU 281 CO -0.09 0.69 -0.01 1.49 -1.18 0.00 0.00 179.01 179.91 3ik3 h GLU 282 N 0.63 0.93 -0.51 1.92 4.57 -1.84 -0.77 114.58 119.50 3ik3 h GLU 282 Ca 0.15 -0.28 -0.13 0.00 -1.18 0.00 0.00 59.36 57.93 3ik3 h GLU 282 Cb 0.26 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3ik3 h GLU 282 CO -0.01 0.93 -0.17 0.35 -1.18 0.00 0.00 179.01 178.93 3ik3 h PHE 283 N 0.86 1.16 -0.14 0.92 3.57 -1.04 -0.69 116.94 121.58 3ik3 h PHE 283 Ca 0.16 -0.26 -0.14 0.00 3.53 0.00 0.00 57.97 61.26 3ik3 h PHE 283 Cb 0.52 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3ik3 h PHE 283 CO 0.03 1.10 -0.50 -0.07 -2.23 0.00 0.00 178.31 176.64 3ik3 h LEU 284 N 0.89 0.42 -0.53 0.59 4.07 -0.95 -1.91 115.31 117.89 3ik3 h LEU 284 Ca 0.12 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.78 3ik3 h LEU 284 Cb 0.75 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 3ik3 h LEU 284 CO 0.06 0.85 -0.06 0.50 -1.08 0.00 0.00 178.44 178.71 3ik3 h LYS 285 N 0.30 0.97 -0.35 1.13 3.64 -0.97 -2.05 116.57 119.25 3ik3 h LYS 285 Ca 0.01 -0.34 0.05 0.00 -1.27 0.00 0.00 60.65 59.10 3ik3 h LYS 285 Cb 0.99 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 3ik3 h LYS 285 CO 0.09 1.01 0.08 1.49 -2.27 0.00 0.00 179.45 179.84 3ik3 h GLU 286 N 0.84 0.19 -0.25 1.90 4.81 -0.73 -1.56 114.58 119.78 3ik3 h GLU 286 Ca 0.14 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3ik3 h GLU 286 Cb 0.61 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3ik3 h GLU 286 CO 0.04 0.13 0.16 0.00 -0.73 0.00 0.00 179.01 178.61 3ik3 h ALA 287 N 1.25 0.32 -0.60 2.92 0.00 -1.15 -1.87 119.26 120.12 3ik3 h ALA 287 Ca 0.16 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.18 3ik3 h ALA 287 Cb 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 3ik3 h ALA 287 CO -0.21 -0.22 0.09 0.00 0.00 0.00 0.00 179.25 178.91 3ik3 h ALA 288 N 1.10 0.68 -0.48 0.00 0.00 -1.09 -1.76 119.26 117.71 3ik3 h ALA 288 Ca 0.09 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3ik3 h ALA 288 Cb -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ik3 h ALA 288 CO -0.03 -0.34 0.20 0.28 0.00 0.00 0.00 179.25 179.36 3ik3 h VAL 289 N 0.21 1.20 -0.19 0.00 2.07 -0.79 -2.88 116.25 115.88 3ik3 h VAL 289 Ca 0.32 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 3ik3 h VAL 289 Cb 0.49 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3ik3 h VAL 289 CO -0.44 0.23 -0.28 0.24 0.02 0.00 0.00 177.57 177.34 3ik3 h MET 290 N 0.63 0.36 -0.04 1.57 2.07 -0.86 -0.43 114.93 118.22 3ik3 h MET 290 Ca 0.16 -0.13 0.01 0.00 -2.07 0.00 0.00 59.70 57.67 3ik3 h MET 290 Cb 0.17 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 29.88 3ik3 h MET 290 CO -0.02 0.61 0.24 0.87 1.07 0.00 0.00 176.91 179.68 3ik3 h LYS 291 N 0.31 0.00 -0.02 1.72 1.57 -1.10 -1.32 116.57 117.73 3ik3 h LYS 291 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3ik3 h LYS 291 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3ik3 h LYS 291 CO 0.05 0.00 -0.11 0.39 -0.57 0.00 0.00 179.45 179.21 3ik3 n GLU 292 N -3.09 1.82 -3.77 3.15 -0.58 -0.18 -4.91 120.64 113.07 3ik3 n GLU 292 Ca -0.01 -1.55 -0.37 0.00 -0.42 0.00 0.00 57.16 54.81 3ik3 n GLU 292 Cb 0.31 -1.41 -0.13 0.00 -0.57 0.00 0.00 31.44 29.64 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 -1.91 3.94 -0.23 -3.67 1.01 -0.50 -5.05 121.20 114.79 3ik3 s ILE 293 Ca 0.23 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 3ik3 s ILE 293 Cb 0.17 -2.99 0.08 0.00 0.01 0.00 0.00 42.46 39.73 3ik3 s ILE 293 CO 0.33 0.14 0.11 -0.54 0.00 0.00 0.00 174.94 174.99 3ik3 s LYS 294 N 1.51 0.14 -0.20 2.79 1.02 -1.26 -4.66 119.74 119.08 3ik3 s LYS 294 Ca 0.03 -0.33 -0.27 0.00 0.02 0.00 0.00 55.97 55.42 3ik3 s LYS 294 Cb -0.17 -1.48 0.09 0.00 -0.52 0.00 0.00 37.83 35.75 3ik3 s LYS 294 CO 0.02 -0.86 0.80 -1.58 -0.92 0.00 0.00 175.35 172.81 3ik3 s HIS 295 N 2.11 -0.65 0.61 3.18 2.46 -1.26 -5.04 115.29 116.69 3ik3 s HIS 295 Ca 0.06 1.43 0.36 0.00 0.47 0.00 0.00 55.06 57.38 3ik3 s HIS 295 Cb -0.16 0.34 2.06 0.00 -0.13 0.00 0.00 32.58 34.70 3ik3 s HIS 295 CO -0.24 -0.41 2.29 -1.00 -2.47 0.00 0.00 174.74 172.92 3ik3 h PRO 296 N 4.06 0.00 -0.14 2.88 0.13 -1.99 -2.23 132.00 134.71 3ik3 h PRO 296 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3ik3 h PRO 296 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3ik3 h PRO 296 CO 0.18 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.05 3ik3 n ASN 297 N -3.50 3.04 -4.45 1.44 4.13 -1.26 -4.85 115.26 109.80 3ik3 n ASN 297 Ca -0.03 -2.91 -0.31 0.00 1.68 0.00 0.00 54.58 53.02 3ik3 n ASN 297 Cb 0.09 -0.44 -0.13 0.00 -1.54 0.00 0.00 39.78 37.77 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 -2.60 2.59 0.34 3.41 1.43 -0.84 -0.25 118.68 122.75 3ik3 s LEU 298 Ca 0.34 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.71 3ik3 s LEU 298 Cb 0.28 -1.50 -0.13 0.00 0.03 0.00 0.00 46.19 44.87 3ik3 s LEU 298 CO 0.06 0.25 1.07 1.33 0.23 0.00 0.00 176.35 179.29 3ik3 n VAL 299 N 1.48 2.11 -4.40 -1.59 0.24 -0.70 -4.61 118.33 110.85 3ik3 n VAL 299 Ca -0.16 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.30 3ik3 n VAL 299 Cb 0.52 -1.17 -0.15 0.00 -1.47 0.00 0.00 33.84 31.58 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 -1.76 3.30 0.18 7.34 0.74 -1.26 -4.88 119.66 123.33 3ik3 s GLN 300 Ca 0.59 -0.70 -0.30 0.00 0.05 0.00 0.00 55.36 55.00 3ik3 s GLN 300 Cb -0.63 -2.73 -0.08 0.00 1.10 0.00 0.00 33.01 30.67 3ik3 s GLN 300 CO 0.60 0.01 1.29 -1.17 -0.55 0.00 0.00 175.29 175.47 3ik3 s LEU 301 N 0.87 4.42 -0.15 3.68 2.96 -1.26 -3.77 118.68 125.43 3ik3 s LEU 301 Ca -0.03 2.34 0.15 0.00 -0.22 0.00 0.00 54.13 56.37 3ik3 s LEU 301 Cb -0.15 -3.61 -0.21 0.00 0.50 0.00 0.00 46.19 42.72 3ik3 s LEU 301 CO -0.00 -0.51 0.09 0.18 -1.32 0.00 0.00 176.35 174.80 3ik3 n LEU 302 N 2.78 0.00 0.00 -0.68 4.77 0.42 -4.99 117.00 119.30 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 0.43 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 3ik3 n LEU 302 CO 0.57 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3ik3 n GLY 303 N 1.92 1.43 3.28 -0.72 0.00 -1.15 -5.02 105.19 104.94 3ik3 n GLY 303 Ca -0.24 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 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 1.29 -0.31 1.61 -7.23 -0.31 -0.91 120.40 112.54 3ik3 s VAL 304 Ca 0.00 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 3ik3 s VAL 304 Cb 0.00 -1.96 0.09 0.00 0.56 0.00 0.00 36.38 35.06 3ik3 s VAL 304 CO 0.00 -0.65 0.03 0.00 -0.31 0.00 0.00 175.10 174.16 3ik3 n THR 306 N 4.49 0.25 0.01 0.00 -2.24 -1.26 -0.16 114.28 115.37 3ik3 n THR 306 Ca -0.02 -0.92 -0.09 0.00 -2.27 0.00 0.00 64.05 60.75 3ik3 n THR 306 Cb 0.42 0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 69.22 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 0.66 0.02 -2.99 -0.78 3.08 -1.94 -3.48 114.38 108.94 3ik3 h ARG 307 Ca -0.13 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 59.94 3ik3 h ARG 307 Cb 1.64 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.63 3ik3 h ARG 307 CO 0.06 0.72 0.23 -1.83 -1.07 0.00 0.00 179.97 178.08 3ik3 s GLU 308 N -2.64 1.65 0.60 0.04 1.03 -1.26 -5.16 118.70 112.95 3ik3 s GLU 308 Ca -0.03 -0.85 -0.19 0.00 0.03 0.00 0.00 54.97 53.93 3ik3 s GLU 308 Cb 0.09 0.60 -0.03 0.00 -0.80 0.00 0.00 34.13 33.99 3ik3 s GLU 308 CO 0.82 -0.75 1.24 -2.14 -1.33 0.00 0.00 175.26 173.11 3ik3 s PRO 309 N -3.86 2.91 0.23 -4.83 0.02 -1.26 -4.09 135.00 124.11 3ik3 s PRO 309 Ca 0.08 1.92 -0.29 0.00 0.02 0.00 0.00 61.00 62.74 3ik3 s PRO 309 Cb -0.05 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 3ik3 s PRO 309 CO 0.02 -1.28 0.91 -1.25 -0.33 0.00 0.00 177.00 175.06 3ik3 s PRO 310 N -3.28 4.80 0.38 5.54 0.04 -1.26 -4.96 135.00 136.25 3ik3 s PRO 310 Ca 0.78 1.42 -0.25 0.00 0.04 0.00 0.00 61.00 62.99 3ik3 s PRO 310 Cb -0.33 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 30.85 3ik3 s PRO 310 CO 0.36 0.53 1.09 -0.06 0.04 0.00 0.00 177.00 178.95 3ik3 s PHE 311 N -1.18 3.28 0.13 0.56 2.99 -0.21 -4.87 117.98 118.68 3ik3 s PHE 311 Ca 0.40 1.64 0.10 0.00 0.00 0.00 0.00 56.93 59.07 3ik3 s PHE 311 Cb -0.25 -3.22 -0.04 0.00 0.00 0.00 0.00 43.02 39.51 3ik3 s PHE 311 CO 0.31 -0.77 -0.24 0.71 -0.00 0.00 0.00 175.22 175.22 3ik3 s TYR 312 N -1.50 2.37 -0.10 0.36 4.12 0.77 -1.99 117.35 121.38 3ik3 s TYR 312 Ca 0.55 -0.35 0.00 0.00 0.02 0.00 0.00 57.07 57.29 3ik3 s TYR 312 Cb -0.26 -1.28 0.02 0.00 -1.52 0.00 0.00 41.96 38.93 3ik3 s TYR 312 CO 0.33 0.35 -0.09 0.42 0.02 0.00 0.00 175.55 176.58 3ik3 s ILE 313 N -1.09 1.05 -0.17 2.71 1.01 -0.01 -1.78 121.20 122.93 3ik3 s ILE 313 Ca 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 3ik3 s ILE 313 Cb -0.10 -1.04 -0.00 0.00 0.01 0.00 0.00 42.46 41.32 3ik3 s ILE 313 CO 0.07 0.36 -0.13 -0.63 0.00 0.00 0.00 174.94 174.62 3ik3 s ILE 314 N 1.48 2.86 0.26 2.92 1.01 -0.09 -0.87 121.20 128.77 3ik3 s ILE 314 Ca 0.01 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3ik3 s ILE 314 Cb -0.13 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 3ik3 s ILE 314 CO -0.06 0.50 0.02 0.27 0.00 0.00 0.00 174.94 175.68 3ik3 s ILE 315 N 0.89 1.00 0.32 2.92 -4.36 -0.53 -0.44 121.20 121.00 3ik3 s ILE 315 Ca -0.03 -2.02 -0.29 0.00 -0.26 0.00 0.00 60.65 58.05 3ik3 s ILE 315 Cb -0.15 -2.49 -0.10 0.00 1.25 0.00 0.00 42.46 40.97 3ik3 s ILE 315 CO -0.01 -0.20 1.23 -0.70 0.24 0.00 0.00 174.94 175.50 3ik3 s GLU 316 N -3.89 4.44 0.09 0.37 2.12 -1.25 -0.99 118.70 119.59 3ik3 s GLU 316 Ca 0.32 2.05 -0.31 0.00 0.36 0.00 0.00 54.97 57.39 3ik3 s GLU 316 Cb 0.07 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.30 3ik3 s GLU 316 CO 0.11 -0.06 1.24 0.12 -0.54 0.00 0.00 175.26 176.13 3ik3 s PHE 317 N -1.16 3.40 -0.31 5.30 5.36 -1.13 -4.57 117.98 124.86 3ik3 s PHE 317 Ca 0.48 1.25 -0.10 0.00 -0.96 0.00 0.00 56.93 57.59 3ik3 s PHE 317 Cb -0.37 -3.48 -0.02 0.00 -0.34 0.00 0.00 43.02 38.82 3ik3 s PHE 317 CO 0.48 -1.50 0.17 -1.64 -1.46 0.00 0.00 175.22 171.28 3ik3 s MET 318 N 0.89 3.52 0.36 10.12 -1.94 -1.26 -4.99 119.30 126.00 3ik3 s MET 318 Ca 0.59 -0.60 0.19 0.00 -1.71 0.00 0.00 55.69 54.16 3ik3 s MET 318 Cb -0.31 -3.62 0.57 0.00 2.01 0.00 0.00 34.83 33.48 3ik3 s MET 318 CO 0.30 -0.36 1.68 1.79 -0.01 0.00 0.00 175.02 178.42 3ik3 h THR 319 N 5.55 0.81 -0.69 2.05 1.35 -1.90 -3.18 112.91 116.89 3ik3 h THR 319 Ca -0.33 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 3ik3 h THR 319 Cb 1.16 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 3ik3 h THR 319 CO 0.60 0.37 0.00 -1.22 -0.25 0.00 0.00 175.52 175.02 3ik3 n TYR 320 N -3.42 1.27 -4.19 4.73 4.02 0.46 -5.01 117.16 115.02 3ik3 n TYR 320 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 57.33 3ik3 n TYR 320 Cb 0.55 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 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 1.37 -0.78 3.88 2.72 0.00 -1.20 -4.62 105.19 106.56 3ik3 n GLY 321 Ca 0.25 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 6.47 0.29 1.61 2.20 -1.26 0.37 114.94 120.62 3ik3 s ASN 322 Ca 0.00 1.12 0.06 0.00 -0.94 0.00 0.00 52.86 53.10 3ik3 s ASN 322 Cb 0.00 -2.32 0.43 0.00 -2.00 0.00 0.00 41.25 37.36 3ik3 s ASN 322 CO 0.00 -0.45 1.69 0.25 -2.94 0.00 0.00 177.10 175.65 3ik3 h LEU 323 N 1.04 0.27 0.42 3.54 5.85 -0.49 -1.88 115.31 124.05 3ik3 h LEU 323 Ca -0.47 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 3ik3 h LEU 323 Cb 1.19 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3ik3 h LEU 323 CO 0.63 0.67 -0.20 0.25 -0.34 0.00 0.00 178.44 179.45 3ik3 h LEU 324 N 0.21 -0.48 -1.19 2.25 5.85 -1.78 -1.16 115.31 119.01 3ik3 h LEU 324 Ca 0.02 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3ik3 h LEU 324 Cb 0.84 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3ik3 h LEU 324 CO 0.07 -0.34 0.08 0.44 -0.34 0.00 0.00 178.44 178.35 3ik3 h ASP 325 N -0.56 0.60 -0.26 1.25 3.32 -1.88 -1.74 116.42 117.15 3ik3 h ASP 325 Ca -0.06 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3ik3 h ASP 325 Cb 0.43 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3ik3 h ASP 325 CO 0.09 0.61 0.13 0.22 -1.72 0.00 0.00 179.24 178.57 3ik3 h TYR 326 N 0.63 0.37 -0.46 4.55 3.20 -1.08 -1.50 116.97 122.67 3ik3 h TYR 326 Ca 0.14 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3ik3 h TYR 326 Cb 0.27 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3ik3 h TYR 326 CO 0.01 0.34 0.10 -0.07 -1.64 0.00 0.00 178.16 176.90 3ik3 h LEU 327 N 0.29 0.64 -0.71 2.82 3.38 -0.96 -2.12 115.31 118.65 3ik3 h LEU 327 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ik3 h LEU 327 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ik3 h LEU 327 CO -0.01 0.65 0.00 0.03 0.09 0.00 0.00 178.44 179.20 3ik3 h ARG 328 N 0.67 0.00 0.00 1.13 3.08 -0.84 -3.28 114.38 115.14 3ik3 h ARG 328 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3ik3 h ARG 328 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3ik3 h ARG 328 CO -0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 3ik3 n GLU 329 N -2.41 1.08 -2.05 0.04 1.02 -0.61 -5.08 120.64 112.64 3ik3 n GLU 329 Ca 0.02 -0.98 -0.28 0.00 -0.02 0.00 0.00 57.16 55.90 3ik3 n GLU 329 Cb 0.28 -0.96 0.06 0.00 -0.02 0.00 0.00 31.44 30.80 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 -4.44 6.30 0.13 0.00 3.84 -1.26 -4.96 114.94 114.55 3ik3 s ASN 331 Ca 0.59 -0.19 0.18 0.00 0.21 0.00 0.00 52.86 53.65 3ik3 s ASN 331 Cb -0.11 -2.28 0.78 0.00 -0.55 0.00 0.00 41.25 39.09 3ik3 s ASN 331 CO 0.48 -0.57 1.56 0.54 -2.79 0.00 0.00 177.10 176.32 3ik3 n ARG 332 N 5.86 0.09 -0.17 0.43 1.74 -1.26 -0.45 116.66 122.90 3ik3 n ARG 332 Ca -0.04 0.35 -0.11 0.00 -0.77 0.00 0.00 57.85 57.29 3ik3 n ARG 332 Cb 0.48 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3ik3 n ARG 332 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3ik3 h GLN 333 N 0.00 0.97 0.02 5.56 5.75 -1.99 -3.19 115.11 122.22 3ik3 h GLN 333 Ca 0.00 -0.37 -0.00 0.00 -0.15 0.00 0.00 58.65 58.13 3ik3 h GLN 333 Cb 0.28 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.77 3ik3 h GLN 333 CO 0.00 1.04 -0.01 0.93 -2.65 0.00 0.00 178.83 178.14 3ik3 h GLU 334 N 0.83 -0.02 -4.46 1.69 5.08 -1.33 -3.38 114.58 112.99 3ik3 h GLU 334 Ca 0.13 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.76 3ik3 h GLU 334 Cb 0.68 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.80 3ik3 h GLU 334 CO 0.05 0.68 1.99 0.28 -1.00 0.00 0.00 179.01 181.01 3ik3 n VAL 335 N -4.69 4.11 -2.66 3.13 0.31 0.40 -4.81 118.33 114.12 3ik3 n VAL 335 Ca -0.08 -4.26 0.00 0.00 -0.01 0.00 0.00 64.34 59.99 3ik3 n VAL 335 Cb 0.34 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 30.84 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 5.66 0.00 0.18 4.52 3.41 -1.21 -4.55 113.62 121.63 3ik3 n SER 336 Ca 0.42 -0.98 0.02 0.00 -0.26 0.00 0.00 58.87 58.07 3ik3 n SER 336 Cb 0.41 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.08 1.30 -0.02 7.33 0.00 -1.92 -1.00 119.26 125.03 3ik3 h ALA 337 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 3ik3 h ALA 337 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ik3 h ALA 337 CO 0.00 0.53 -0.50 -0.24 0.00 0.00 0.00 179.25 179.04 3ik3 h VAL 338 N 0.00 1.36 -0.15 0.00 3.04 -1.94 -2.11 116.25 116.44 3ik3 h VAL 338 Ca -0.00 -1.71 -0.19 0.00 -1.01 0.00 0.00 66.70 63.78 3ik3 h VAL 338 Cb 0.75 1.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 3ik3 h VAL 338 CO 0.06 0.49 -0.69 0.58 -1.01 0.00 0.00 177.57 177.00 3ik3 h VAL 339 N 0.04 1.32 -0.83 1.51 2.07 -1.55 0.12 116.25 118.94 3ik3 h VAL 339 Ca -0.00 -1.96 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 3ik3 h VAL 339 Cb 0.89 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 3ik3 h VAL 339 CO 0.07 0.61 0.37 -0.07 0.02 0.00 0.00 177.57 178.57 3ik3 h LEU 340 N 0.44 1.10 -0.71 2.57 3.38 -1.13 0.10 115.31 121.07 3ik3 h LEU 340 Ca -0.02 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 3ik3 h LEU 340 Cb 1.28 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3ik3 h LEU 340 CO 0.13 0.95 -0.18 -0.07 0.09 0.00 0.00 178.44 179.36 3ik3 h LEU 341 N 1.19 0.81 -0.55 1.67 3.38 -1.24 -2.52 115.31 118.05 3ik3 h LEU 341 Ca 0.28 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3ik3 h LEU 341 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3ik3 h LEU 341 CO -0.03 0.98 0.34 0.22 0.09 0.00 0.00 178.44 180.04 3ik3 h TYR 342 N 0.71 0.64 -0.10 1.13 3.20 -0.54 -1.04 116.97 120.98 3ik3 h TYR 342 Ca 0.11 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.00 3ik3 h TYR 342 Cb 0.69 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3ik3 h TYR 342 CO 0.04 0.38 0.04 0.52 -1.64 0.00 0.00 178.16 177.49 3ik3 h MET 343 N 0.68 0.09 -0.40 1.82 2.86 -0.89 -1.61 114.93 117.49 3ik3 h MET 343 Ca 0.21 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.79 3ik3 h MET 343 Cb -0.02 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3ik3 h MET 343 CO -0.08 0.06 -0.00 0.00 1.06 0.00 0.00 176.91 177.95 3ik3 h ALA 344 N 1.06 1.26 -0.25 6.32 0.00 -1.29 -1.69 119.26 124.67 3ik3 h ALA 344 Ca 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ik3 h ALA 344 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ik3 h ALA 344 CO -0.04 0.50 0.01 1.15 0.00 0.00 0.00 179.25 180.86 3ik3 h THR 345 N 0.60 1.25 -0.86 0.00 2.02 -0.98 -1.00 112.91 113.93 3ik3 h THR 345 Ca 0.12 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 3ik3 h THR 345 Cb 0.38 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 3ik3 h THR 345 CO 0.01 0.28 0.42 1.56 0.37 0.00 0.00 175.52 178.16 3ik3 h GLN 346 N 0.23 1.24 -0.18 6.66 4.20 -1.02 -0.95 115.11 125.28 3ik3 h GLN 346 Ca 0.07 -0.18 -0.18 0.00 0.06 0.00 0.00 58.65 58.42 3ik3 h GLN 346 Cb 0.40 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 3ik3 h GLN 346 CO 0.01 0.95 -0.63 0.82 -0.67 0.00 0.00 178.83 179.31 3ik3 h ILE 347 N 1.23 1.31 0.00 2.54 2.04 -1.19 -2.31 117.51 121.13 3ik3 h ILE 347 Ca 0.30 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 64.27 3ik3 h ILE 347 Cb 0.11 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3ik3 h ILE 347 CO -0.04 0.59 0.00 0.77 0.00 0.00 0.00 178.15 179.47 3ik3 h SER 348 N 0.47 0.00 -0.01 1.72 4.64 -0.94 -1.91 113.55 117.52 3ik3 h SER 348 Ca -0.01 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.08 3ik3 h SER 348 Cb 1.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3ik3 h SER 348 CO 0.12 0.00 -0.87 -1.28 -0.87 0.00 0.00 176.83 173.93 3ik3 h SER 349 N 0.00 0.85 -0.62 4.97 0.87 -0.87 -0.30 113.55 118.46 3ik3 h SER 349 Ca 0.00 -0.61 -0.06 0.00 -1.23 0.00 0.00 61.79 59.89 3ik3 h SER 349 Cb 0.70 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3ik3 h SER 349 CO 0.00 1.40 0.17 0.00 -0.53 0.00 0.00 176.83 177.87 3ik3 h ALA 350 N 0.57 1.07 -0.04 6.23 0.00 -1.17 -2.54 119.26 123.38 3ik3 h ALA 350 Ca -0.08 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 3ik3 h ALA 350 Cb 1.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3ik3 h ALA 350 CO 0.17 0.62 -0.64 0.52 0.00 0.00 0.00 179.25 179.92 3ik3 h MET 351 N 0.97 0.17 -0.45 0.00 2.86 -1.35 -1.70 114.93 115.42 3ik3 h MET 351 Ca 0.21 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3ik3 h MET 351 Cb 0.33 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3ik3 h MET 351 CO -0.00 0.75 0.06 1.49 1.06 0.00 0.00 176.91 180.26 3ik3 h GLU 352 N 0.12 0.71 0.02 1.72 4.81 -0.90 0.18 114.58 121.23 3ik3 h GLU 352 Ca -0.01 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3ik3 h GLU 352 Cb 1.15 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3ik3 h GLU 352 CO 0.09 0.68 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.12 3ik3 h TYR 353 N 0.68 -0.03 -0.71 0.92 3.20 -1.24 -0.00 116.97 119.79 3ik3 h TYR 353 Ca 0.15 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.07 3ik3 h TYR 353 Cb 0.33 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 3ik3 h TYR 353 CO 0.02 0.35 0.41 -0.07 -1.64 0.00 0.00 178.16 177.22 3ik3 h LEU 354 N -0.40 0.61 -0.72 2.82 3.38 -1.23 -0.50 115.31 119.27 3ik3 h LEU 354 Ca -0.00 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3ik3 h LEU 354 Cb 0.38 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 3ik3 h LEU 354 CO 0.00 0.40 0.36 -0.08 0.09 0.00 0.00 178.44 179.21 3ik3 h GLU 355 N 0.75 0.59 -0.13 1.13 4.81 -0.43 -0.59 114.58 120.70 3ik3 h GLU 355 Ca 0.31 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.35 3ik3 h GLU 355 Cb 0.18 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3ik3 h GLU 355 CO -0.18 0.39 -0.58 -0.22 -0.73 0.00 0.00 179.01 177.69 3ik3 h LYS 356 N 0.61 0.43 -0.40 1.92 3.64 -0.29 -2.80 116.57 119.67 3ik3 h LYS 356 Ca 0.36 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ik3 h LYS 356 Cb 0.39 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3ik3 h LYS 356 CO -0.28 0.89 0.00 1.63 -2.27 0.00 0.00 179.45 179.42 3ik3 n LYS 357 N -3.92 1.95 -3.53 1.90 5.02 -0.26 -4.92 118.16 114.40 3ik3 n LYS 357 Ca -0.03 -1.48 -0.25 0.00 -2.02 0.00 0.00 58.31 54.53 3ik3 n LYS 357 Cb 0.61 -1.33 0.06 0.00 -0.02 0.00 0.00 35.03 34.35 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 0.70 -5.92 -4.96 4.39 3.02 -0.53 -5.02 115.26 106.95 3ik3 n ASN 358 Ca 0.14 -0.53 -0.22 0.00 -0.03 0.00 0.00 54.58 53.94 3ik3 n ASN 358 Cb 0.35 -4.70 -0.01 0.00 -0.61 0.00 0.00 39.78 34.81 3ik3 n ASN 358 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3ik3 s PHE 359 N -3.27 3.36 -0.08 3.10 0.08 -0.34 -5.03 117.98 115.79 3ik3 s PHE 359 Ca 0.54 0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.78 3ik3 s PHE 359 Cb -0.25 -1.97 0.01 0.00 -0.57 0.00 0.00 43.02 40.24 3ik3 s PHE 359 CO 0.66 0.02 -0.15 0.42 -0.10 0.00 0.00 175.22 176.08 3ik3 s ILE 360 N -2.31 1.37 -0.02 0.64 1.01 -1.26 -4.44 121.20 116.19 3ik3 s ILE 360 Ca 0.42 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 60.30 3ik3 s ILE 360 Cb -0.10 -1.23 -0.09 0.00 0.01 0.00 0.00 42.46 41.05 3ik3 s ILE 360 CO 0.35 0.41 0.75 -0.74 0.00 0.00 0.00 174.94 175.70 3ik3 h HIS 361 N 7.03 -0.57 0.00 3.97 -0.00 -1.97 -3.48 115.15 120.13 3ik3 h HIS 361 Ca -0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 3ik3 h HIS 361 Cb 1.19 0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.79 3ik3 h HIS 361 CO 0.48 -0.35 0.00 0.54 -0.00 0.00 0.00 177.93 178.60 3ik3 n ARG 362 N -4.93 0.00 -2.76 5.26 1.74 -1.26 -4.85 116.66 109.85 3ik3 n ARG 362 Ca -0.08 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.91 3ik3 n ARG 362 Cb 0.24 -0.64 0.06 0.00 -1.02 0.00 0.00 32.46 31.11 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 -0.32 -4.71 0.55 2.03 -1.26 -5.06 116.55 107.77 3ik3 n ASP 363 Ca 0.00 -2.81 -0.42 0.00 0.52 0.00 0.00 54.79 52.08 3ik3 n ASP 363 Cb 0.00 0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 40.70 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 -2.93 4.36 -0.12 -2.67 2.96 -1.26 -4.81 118.68 114.21 3ik3 s LEU 364 Ca 0.27 1.95 -0.32 0.00 -0.22 0.00 0.00 54.13 55.81 3ik3 s LEU 364 Cb 0.40 -3.57 0.12 0.00 0.50 0.00 0.00 46.19 43.64 3ik3 s LEU 364 CO -0.03 -0.47 1.08 0.00 -1.32 0.00 0.00 176.35 175.61 3ik3 s ALA 365 N 1.22 -1.97 0.36 5.97 0.00 -1.26 -4.74 121.76 121.34 3ik3 s ALA 365 Ca 0.58 1.37 0.10 0.00 0.00 0.00 0.00 51.96 54.01 3ik3 s ALA 365 Cb -0.28 0.07 0.70 0.00 0.00 0.00 0.00 23.12 23.61 3ik3 s ALA 365 CO 0.28 -0.62 1.84 0.00 0.00 0.00 0.00 175.76 177.26 3ik3 h ALA 366 N 2.01 1.39 -0.00 0.00 0.00 -1.93 -0.43 119.26 120.29 3ik3 h ALA 366 Ca -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ik3 h ALA 366 Cb 1.20 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ik3 h ALA 366 CO 0.26 0.44 0.02 0.07 0.00 0.00 0.00 179.25 180.04 3ik3 h ARG 367 N 0.12 0.00 -0.51 0.00 0.11 -1.95 -1.44 114.38 110.71 3ik3 h ARG 367 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3ik3 h ARG 367 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 3ik3 h ARG 367 CO 0.04 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.20 3ik3 n ASN 368 N -3.24 4.22 -4.70 0.08 3.02 -0.18 -4.78 115.26 109.67 3ik3 n ASN 368 Ca -0.03 -2.46 -0.30 0.00 -0.03 0.00 0.00 54.58 51.76 3ik3 n ASN 368 Cb 0.09 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 38.68 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 -2.38 2.57 -0.05 0.00 1.43 0.07 -0.19 118.68 120.13 3ik3 s LEU 370 Ca 0.26 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3ik3 s LEU 370 Cb -0.12 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 3ik3 s LEU 370 CO 0.19 0.23 -0.18 -0.69 0.23 0.00 0.00 176.35 176.14 3ik3 s VAL 371 N -0.98 2.77 0.00 -1.59 1.01 0.16 -1.40 120.40 120.37 3ik3 s VAL 371 Ca 0.15 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3ik3 s VAL 371 Cb -0.10 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3ik3 s VAL 371 CO 0.06 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3ik3 n GLY 372 N 2.52 6.17 3.76 4.51 0.00 -0.02 -0.40 105.19 121.72 3ik3 n GLY 372 Ca -0.17 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 3ik3 n GLY 372 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ik3 s GLU 373 N 1.53 3.51 -1.46 1.61 0.41 -1.26 -3.29 118.70 119.75 3ik3 s GLU 373 Ca 0.00 2.16 -0.11 0.00 -0.41 0.00 0.00 54.97 56.61 3ik3 s GLU 373 Cb 0.00 -2.45 0.05 0.00 -1.78 0.00 0.00 34.13 29.96 3ik3 s GLU 373 CO 0.00 -0.87 0.98 0.09 -0.49 0.00 0.00 175.26 174.96 3ik3 n ASN 374 N -0.57 -5.44 -2.12 -0.19 3.02 -1.26 -1.77 115.26 106.93 3ik3 n ASN 374 Ca 0.08 -0.61 -0.19 0.00 -0.03 0.00 0.00 54.58 53.82 3ik3 n ASN 374 Cb 0.45 -4.33 -0.03 0.00 -0.61 0.00 0.00 39.78 35.25 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 -4.73 -0.75 -1.78 3.10 8.25 -1.21 -4.95 115.22 113.15 3ik3 n HIS 375 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 3ik3 n HIS 375 Cb 0.55 -3.57 -0.02 0.00 1.12 0.00 0.00 29.99 28.07 3ik3 n HIS 375 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3ik3 s LEU 376 N -5.47 4.36 -0.07 2.41 2.96 -0.73 -4.80 118.68 117.34 3ik3 s LEU 376 Ca 0.00 2.87 0.04 0.00 -0.22 0.00 0.00 54.13 56.82 3ik3 s LEU 376 Cb 0.00 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.08 3ik3 s LEU 376 CO 0.00 -0.92 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.23 3ik3 s VAL 377 N 0.62 1.62 -0.07 1.68 1.01 -1.26 -0.84 120.40 123.17 3ik3 s VAL 377 Ca 0.69 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3ik3 s VAL 377 Cb -0.48 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 3ik3 s VAL 377 CO 0.39 0.46 -0.21 -0.54 0.00 0.00 0.00 175.10 175.21 3ik3 s LYS 378 N 0.33 2.38 0.31 2.72 1.02 -0.49 -4.60 119.74 121.41 3ik3 s LYS 378 Ca -0.13 -0.74 -0.28 0.00 0.02 0.00 0.00 55.97 54.84 3ik3 s LYS 378 Cb -0.15 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 35.13 3ik3 s LYS 378 CO 0.05 0.22 1.09 0.08 -0.92 0.00 0.00 175.35 175.88 3ik3 s VAL 379 N 0.19 3.52 0.34 3.17 1.01 0.65 -0.75 120.40 128.53 3ik3 s VAL 379 Ca -0.10 1.45 0.08 0.00 0.00 0.00 0.00 61.98 63.40 3ik3 s VAL 379 Cb -0.15 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3ik3 s VAL 379 CO 0.05 0.28 0.28 0.00 0.00 0.00 0.00 175.10 175.71 3ik3 n ALA 380 N 0.90 0.72 -3.30 5.51 0.00 -0.17 -1.73 120.51 122.44 3ik3 n ALA 380 Ca 0.00 -1.99 -0.06 0.00 0.00 0.00 0.00 53.44 51.40 3ik3 n ALA 380 Cb 0.46 1.59 -0.06 0.00 0.00 0.00 0.00 19.45 21.44 3ik3 n ALA 380 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ik3 s ASP 381 N -3.38 -0.15 0.00 0.00 2.15 -1.26 -4.74 116.67 109.29 3ik3 s ASP 381 Ca 0.39 0.30 0.27 0.00 0.43 0.00 0.00 52.55 53.94 3ik3 s ASP 381 Cb 0.02 1.37 0.82 0.00 -0.30 0.00 0.00 42.92 44.83 3ik3 s ASP 381 CO 0.28 -0.30 1.64 0.49 -0.17 0.00 0.00 175.17 177.11 3ik3 n PHE 382 N 5.38 0.00 -2.62 -5.34 3.01 -1.26 -4.93 117.46 111.70 3ik3 n PHE 382 Ca -0.02 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.36 3ik3 n PHE 382 Cb 0.50 -0.35 0.04 0.00 -0.01 0.00 0.00 39.48 39.65 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 1.50 0.16 0.09 1.37 0.00 -1.26 -4.92 105.19 102.12 3ik3 n GLY 383 Ca 0.06 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.26 0.58 -4.65 0.99 4.77 -1.26 -5.07 117.00 110.10 3ik3 n LEU 384 Ca -0.10 0.59 -0.42 0.00 -0.03 0.00 0.00 56.01 56.05 3ik3 n LEU 384 Cb 0.56 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3ik3 n LEU 384 CO 0.25 -0.31 1.63 -0.94 -1.33 0.00 0.00 177.39 176.69 3ik3 s SER 385 N -4.08 6.24 1.31 -1.43 1.04 -1.26 -5.01 113.70 110.52 3ik3 s SER 385 Ca 0.08 2.44 -0.18 0.00 0.48 0.00 0.00 55.95 58.78 3ik3 s SER 385 Cb 0.12 -2.53 0.33 0.00 0.10 0.00 0.00 66.02 64.04 3ik3 s SER 385 CO 0.48 -1.25 0.91 1.07 0.98 0.00 0.00 173.24 175.43 3ik3 n THR 392 N 6.05 0.00 -4.29 2.02 5.66 -1.26 -4.87 114.28 117.59 3ik3 n THR 392 Ca 0.22 -0.30 -0.34 0.00 -3.05 0.00 0.00 64.05 60.58 3ik3 n THR 392 Cb 0.42 -0.97 -0.11 0.00 -1.55 0.00 0.00 70.33 68.12 3ik3 n THR 392 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3ik3 s TYR 393 N -2.27 3.10 0.22 1.09 1.51 -1.26 -4.04 117.35 115.71 3ik3 s TYR 393 Ca 0.67 -0.14 0.07 0.00 -1.01 0.00 0.00 57.07 56.67 3ik3 s TYR 393 Cb -0.20 -1.97 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 3ik3 s TYR 393 CO 0.62 0.08 -0.12 0.95 -1.11 0.00 0.00 175.55 175.97 3ik3 s THR 394 N 0.21 1.65 0.35 -0.71 -4.23 -0.47 -4.84 115.64 107.60 3ik3 s THR 394 Ca -0.00 -2.18 -0.29 0.00 -1.18 0.00 0.00 61.69 58.05 3ik3 s THR 394 Cb -0.13 -2.14 -0.11 0.00 1.34 0.00 0.00 72.50 71.46 3ik3 s THR 394 CO 0.02 -0.52 1.51 0.00 -0.54 0.00 0.00 174.62 175.08 3ik3 s ALA 395 N -3.02 3.62 -0.30 3.99 0.00 -1.26 -1.51 121.76 123.28 3ik3 s ALA 395 Ca 0.24 1.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.60 3ik3 s ALA 395 Cb 0.01 -3.61 0.17 0.00 0.00 0.00 0.00 23.12 19.69 3ik3 s ALA 395 CO 0.08 -1.02 1.10 -1.58 0.00 0.00 0.00 175.76 174.34 3ik3 s HIS 396 N -0.81 -0.38 -1.50 0.00 5.04 0.91 -4.86 115.29 113.70 3ik3 s HIS 396 Ca 0.55 0.73 -0.07 0.00 -1.54 0.00 0.00 55.06 54.74 3ik3 s HIS 396 Cb -0.47 0.23 0.05 0.00 0.04 0.00 0.00 32.58 32.44 3ik3 s HIS 396 CO 0.58 -0.19 0.61 0.00 -2.34 0.00 0.00 174.74 173.40 3ik3 n ALA 397 N 3.85 -1.71 -0.94 1.58 0.00 -1.26 -1.37 120.51 120.66 3ik3 n ALA 397 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3ik3 n ALA 397 Cb 0.56 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.76 0.98 0.00 0.00 0.00 -1.26 -4.94 105.19 98.21 3ik3 n GLY 398 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.98 0.00 -3.43 4.61 0.00 -0.47 -5.15 120.51 117.05 3ik3 n ALA 399 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3ik3 n ALA 399 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.26 3.41 -0.05 0.00 -0.14 -1.26 -0.06 119.74 120.38 3ik3 s LYS 400 Ca 0.00 -0.61 0.04 0.00 -1.36 0.00 0.00 55.97 54.04 3ik3 s LYS 400 Cb 0.00 -3.02 -0.03 0.00 -1.68 0.00 0.00 37.83 33.11 3ik3 s LYS 400 CO 0.00 -0.16 -0.15 -0.06 -0.76 0.00 0.00 175.35 174.21 3ik3 s PHE 401 N 1.40 2.66 -1.00 3.18 0.40 -0.57 -4.84 117.98 119.21 3ik3 s PHE 401 Ca 0.05 -0.19 -0.22 0.00 -0.60 0.00 0.00 56.93 55.97 3ik3 s PHE 401 Cb -0.14 -1.62 0.07 0.00 0.51 0.00 0.00 43.02 41.84 3ik3 s PHE 401 CO -0.02 0.16 1.38 -1.25 0.70 0.00 0.00 175.22 176.19 3ik3 s PRO 402 N -0.72 3.60 0.26 0.24 0.04 -1.26 -1.37 135.00 135.80 3ik3 s PRO 402 Ca 0.11 -1.29 -0.02 0.00 0.04 0.00 0.00 61.00 59.85 3ik3 s PRO 402 Cb -0.11 -5.26 0.56 0.00 0.04 0.00 0.00 34.50 29.74 3ik3 s PRO 402 CO 0.00 -2.10 1.68 0.82 0.04 0.00 0.00 177.00 177.44 3ik3 h ILE 403 N 6.55 0.47 0.00 0.56 1.08 -1.92 -1.84 117.51 122.41 3ik3 h ILE 403 Ca 0.19 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 3ik3 h ILE 403 Cb 1.01 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3ik3 h ILE 403 CO 1.35 0.05 0.00 0.29 -0.69 0.00 0.00 178.15 179.16 3ik3 n LYS 404 N -5.14 0.20 0.00 2.37 5.02 -1.26 -1.82 118.16 117.54 3ik3 n LYS 404 Ca 0.17 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.59 3ik3 n LYS 404 Cb 0.54 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.38 0.00 -3.28 2.13 8.01 -0.71 -4.96 117.44 117.25 3ik3 n TRP 405 Ca 0.09 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.90 3ik3 n TRP 405 Cb 0.25 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.49 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 -2.08 5.16 0.61 -0.99 2.01 -0.75 -4.05 115.64 115.55 3ik3 s THR 406 Ca 0.10 0.99 -0.18 0.00 0.31 0.00 0.00 61.69 62.91 3ik3 s THR 406 Cb 0.12 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 3ik3 s THR 406 CO 0.48 0.29 1.19 0.00 -0.69 0.00 0.00 174.62 175.89 3ik3 s ALA 407 N 0.87 2.50 0.22 7.40 0.00 -1.26 -4.78 121.76 126.71 3ik3 s ALA 407 Ca 0.26 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 3ik3 s ALA 407 Cb -0.15 -3.44 0.26 0.00 0.00 0.00 0.00 23.12 19.79 3ik3 s ALA 407 CO 0.11 -1.23 1.82 -1.35 0.00 0.00 0.00 175.76 175.12 3ik3 h PRO 408 N 0.71 0.76 0.00 0.00 0.11 -1.96 -0.29 132.00 131.33 3ik3 h PRO 408 Ca -0.50 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3ik3 h PRO 408 Cb 1.29 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ik3 h PRO 408 CO 0.55 0.50 -0.08 1.05 -0.21 0.00 0.00 178.00 179.81 3ik3 h GLU 409 N 0.79 0.00 0.15 1.05 9.09 -1.88 0.20 114.58 123.97 3ik3 h GLU 409 Ca 0.32 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.53 3ik3 h GLU 409 Cb 0.16 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.29 3ik3 h GLU 409 CO -0.17 0.08 -0.88 0.77 0.05 0.00 0.00 179.01 178.86 3ik3 h SER 410 N 0.00 0.52 0.15 3.06 0.02 -1.10 0.42 113.55 116.62 3ik3 h SER 410 Ca -0.00 -0.94 -0.01 0.00 -0.84 0.00 0.00 61.79 60.00 3ik3 h SER 410 Cb 0.35 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3ik3 h SER 410 CO 0.01 1.42 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.98 3ik3 h LEU 411 N -0.29 -0.17 -0.38 5.07 3.38 -1.01 -1.86 115.31 120.05 3ik3 h LEU 411 Ca -0.15 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.59 3ik3 h LEU 411 Cb 1.69 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 3ik3 h LEU 411 CO 0.17 -0.04 -0.45 0.00 0.09 0.00 0.00 178.44 178.20 3ik3 h ALA 412 N 0.56 0.55 0.00 1.53 0.00 -0.68 -3.39 119.26 117.82 3ik3 h ALA 412 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ik3 h ALA 412 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ik3 h ALA 412 CO 0.03 0.68 0.00 0.66 0.00 0.00 0.00 179.25 180.62 3ik3 n TYR 413 N -4.04 0.00 -2.49 0.00 0.53 0.11 -4.99 117.16 106.29 3ik3 n TYR 413 Ca -0.03 -0.13 -0.19 0.00 -1.02 0.00 0.00 57.90 56.53 3ik3 n TYR 413 Cb 0.58 -0.01 -0.00 0.00 -1.03 0.00 0.00 39.34 38.87 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 -0.13 -5.28 -4.54 7.72 4.05 -0.70 -4.95 115.26 111.42 3ik3 n ASN 414 Ca 0.00 0.01 -0.42 0.00 0.45 0.00 0.00 54.58 54.62 3ik3 n ASN 414 Cb 0.28 -4.41 -0.08 0.00 1.23 0.00 0.00 39.78 36.80 3ik3 n ASN 414 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3ik3 s LYS 415 N -5.12 3.47 -0.03 1.20 1.02 -1.06 -4.95 119.74 114.28 3ik3 s LYS 415 Ca 0.04 -0.29 0.04 0.00 0.02 0.00 0.00 55.97 55.77 3ik3 s LYS 415 Cb -0.02 -3.86 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 3ik3 s LYS 415 CO 0.04 -0.76 -0.13 -0.06 -0.92 0.00 0.00 175.35 173.52 3ik3 s PHE 416 N 2.46 2.72 0.35 3.18 0.40 -1.26 -3.37 117.98 122.46 3ik3 s PHE 416 Ca 0.19 -0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.20 3ik3 s PHE 416 Cb -0.15 -1.60 0.05 0.00 0.51 0.00 0.00 43.02 41.82 3ik3 s PHE 416 CO 0.15 0.24 0.79 -1.54 0.70 0.00 0.00 175.22 175.55 3ik3 s SER 417 N -0.98 -0.06 0.58 1.36 1.04 -1.26 -4.95 113.70 109.43 3ik3 s SER 417 Ca 0.13 -0.99 0.32 0.00 0.48 0.00 0.00 55.95 55.90 3ik3 s SER 417 Cb -0.11 0.80 1.79 0.00 0.10 0.00 0.00 66.02 68.60 3ik3 s SER 417 CO 0.03 -1.57 2.20 -0.29 0.98 0.00 0.00 173.24 174.58 3ik3 h ILE 418 N 2.00 0.40 -0.01 -1.02 6.09 -1.99 -1.13 117.51 121.85 3ik3 h ILE 418 Ca -0.29 -0.23 -0.15 0.00 -1.37 0.00 0.00 64.86 62.82 3ik3 h ILE 418 Cb 1.25 1.16 -0.02 0.00 0.47 0.00 0.00 36.82 39.68 3ik3 h ILE 418 CO 0.36 0.04 -0.69 0.11 -3.07 0.00 0.00 178.15 174.90 3ik3 h LYS 419 N 0.00 0.04 0.00 2.19 1.79 -1.93 -1.59 116.57 117.07 3ik3 h LYS 419 Ca -0.00 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 3ik3 h LYS 419 Cb 0.16 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3ik3 h LYS 419 CO 0.01 0.71 -0.41 0.66 -1.08 0.00 0.00 179.45 179.34 3ik3 h SER 420 N 0.03 0.00 -0.38 0.86 4.64 -1.57 -2.59 113.55 114.53 3ik3 h SER 420 Ca -0.01 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 3ik3 h SER 420 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3ik3 h SER 420 CO 0.09 0.41 -0.12 0.44 -0.87 0.00 0.00 176.83 176.78 3ik3 h ASP 421 N 0.00 0.83 -0.51 4.97 3.32 -0.98 -1.74 116.42 122.31 3ik3 h ASP 421 Ca -0.00 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3ik3 h ASP 421 Cb 0.85 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3ik3 h ASP 421 CO 0.05 0.97 0.33 0.58 -1.72 0.00 0.00 179.24 179.45 3ik3 h VAL 422 N 0.75 1.14 -0.58 -1.35 2.07 -1.09 0.20 116.25 117.39 3ik3 h VAL 422 Ca 0.12 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.45 3ik3 h VAL 422 Cb 0.63 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 3ik3 h VAL 422 CO 0.04 0.14 0.22 -0.25 0.02 0.00 0.00 177.57 177.74 3ik3 h TRP 423 N 0.69 0.39 -0.47 1.57 2.91 -1.24 -2.30 115.95 117.49 3ik3 h TRP 423 Ca 0.18 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.13 3ik3 h TRP 423 Cb -0.06 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.49 3ik3 h TRP 423 CO -0.04 0.11 -0.14 0.00 -1.03 0.00 0.00 178.44 177.35 3ik3 h ALA 424 N 1.39 0.88 -0.97 2.65 0.00 -0.40 -2.27 119.26 120.54 3ik3 h ALA 424 Ca 0.29 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3ik3 h ALA 424 Cb 0.33 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3ik3 h ALA 424 CO -0.28 0.64 0.61 0.35 0.00 0.00 0.00 179.25 180.57 3ik3 h PHE 425 N 0.78 1.13 -0.73 0.00 3.57 -0.30 0.25 116.94 121.66 3ik3 h PHE 425 Ca 0.12 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3ik3 h PHE 425 Cb 0.66 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 3ik3 h PHE 425 CO 0.04 0.54 0.43 0.78 -2.23 0.00 0.00 178.31 177.87 3ik3 h GLY 426 N 1.08 1.07 1.28 2.40 0.00 -0.86 0.29 103.07 108.31 3ik3 h GLY 426 Ca 0.44 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 3ik3 h GLY 426 CO -0.20 0.22 -0.18 -2.08 0.00 0.00 0.00 176.54 174.30 3ik3 h VAL 427 N 0.81 1.27 -0.83 4.60 2.07 -0.91 -2.45 116.25 120.82 3ik3 h VAL 427 Ca 0.31 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.57 3ik3 h VAL 427 Cb 0.13 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3ik3 h VAL 427 CO -0.16 0.44 0.55 0.25 0.02 0.00 0.00 177.57 178.67 3ik3 h LEU 428 N 0.74 0.90 -1.14 2.57 5.85 0.04 0.12 115.31 124.38 3ik3 h LEU 428 Ca 0.11 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3ik3 h LEU 428 Cb 0.70 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3ik3 h LEU 428 CO 0.05 0.62 0.57 -0.07 -0.34 0.00 0.00 178.44 179.28 3ik3 h LEU 429 N 1.04 1.00 -0.26 2.25 3.38 -0.03 -0.09 115.31 122.61 3ik3 h LEU 429 Ca 0.33 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.07 3ik3 h LEU 429 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3ik3 h LEU 429 CO -0.09 0.73 -0.60 -0.25 0.09 0.00 0.00 178.44 178.32 3ik3 h TRP 430 N 1.18 1.10 -0.48 1.13 7.01 -0.84 -0.42 115.95 124.63 3ik3 h TRP 430 Ca 0.32 -0.41 0.07 0.00 2.11 0.00 0.00 58.89 60.97 3ik3 h TRP 430 Cb -0.13 -0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 26.68 3ik3 h TRP 430 CO 0.00 1.25 0.15 0.93 -2.79 0.00 0.00 178.44 177.98 3ik3 h GLU 431 N 0.63 0.30 -0.34 2.65 5.08 -0.25 -2.09 114.58 120.56 3ik3 h GLU 431 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ik3 h GLU 431 Cb 1.21 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3ik3 h GLU 431 CO 0.13 0.20 0.22 0.82 -1.00 0.00 0.00 179.01 179.38 3ik3 h ILE 432 N 0.31 1.10 0.00 3.13 2.04 -0.85 0.44 117.51 123.68 3ik3 h ILE 432 Ca 0.23 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3ik3 h ILE 432 Cb 0.26 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3ik3 h ILE 432 CO -0.26 0.10 -0.04 0.00 0.00 0.00 0.00 178.15 177.95 3ik3 h ALA 433 N 1.10 1.72 -0.62 1.87 0.00 -0.77 -2.02 119.26 120.54 3ik3 h ALA 433 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ik3 h ALA 433 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ik3 h ALA 433 CO -0.02 0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.53 3ik3 n THR 434 N -4.18 1.30 -4.14 0.00 -2.24 -0.81 -4.85 114.28 99.36 3ik3 n THR 434 Ca -0.03 -1.10 -0.31 0.00 -2.27 0.00 0.00 64.05 60.34 3ik3 n THR 434 Cb 0.13 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.19 -1.62 -0.25 4.78 4.01 -0.76 -3.49 117.16 121.02 3ik3 n TYR 435 Ca 0.22 0.75 0.00 0.00 -0.16 0.00 0.00 57.90 58.71 3ik3 n TYR 435 Cb 0.68 -3.22 0.00 0.00 -0.31 0.00 0.00 39.34 36.49 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 -1.79 0.89 3.75 2.72 0.00 0.15 -3.70 105.19 107.22 3ik3 n GLY 436 Ca -0.14 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 3ik3 n GLY 436 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ik3 s MET 437 N -0.53 3.10 0.20 1.61 -1.94 -1.23 -4.91 119.30 115.60 3ik3 s MET 437 Ca 0.00 1.88 -0.30 0.00 -1.71 0.00 0.00 55.69 55.56 3ik3 s MET 437 Cb 0.00 -2.04 -0.09 0.00 2.01 0.00 0.00 34.83 34.71 3ik3 s MET 437 CO 0.00 -1.12 1.38 0.45 -0.01 0.00 0.00 175.02 175.71 3ik3 s SER 438 N -1.46 6.80 0.98 3.03 0.15 -1.26 -4.75 113.70 117.19 3ik3 s SER 438 Ca 0.75 2.48 -0.11 0.00 0.70 0.00 0.00 55.95 59.76 3ik3 s SER 438 Cb -0.32 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.57 3ik3 s SER 438 CO 0.35 -0.62 1.09 -2.84 1.20 0.00 0.00 173.24 172.43 3ik3 s PRO 439 N 0.08 0.50 -1.32 5.44 0.02 -1.26 -3.97 135.00 134.49 3ik3 s PRO 439 Ca 0.59 1.08 -0.19 0.00 0.02 0.00 0.00 61.00 62.51 3ik3 s PRO 439 Cb -0.39 -1.70 0.02 0.00 0.02 0.00 0.00 34.50 32.45 3ik3 s PRO 439 CO 0.38 -2.83 0.48 0.66 -0.33 0.00 0.00 177.00 175.36 3ik3 n TYR 440 N -4.32 -1.47 -1.67 6.54 4.02 -1.26 -4.78 117.16 114.22 3ik3 n TYR 440 Ca 0.07 0.36 -0.54 0.00 -0.01 0.00 0.00 57.90 57.79 3ik3 n TYR 440 Cb 0.54 -3.02 -0.06 0.00 -0.02 0.00 0.00 39.34 36.77 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 -4.71 1.43 -0.99 -0.72 -0.04 -1.25 -1.64 135.00 127.07 3ik3 n PRO 441 Ca -0.20 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 3ik3 n PRO 441 Cb 0.62 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 3.79 0.63 3.59 0.55 0.00 -1.26 -5.01 105.19 107.47 3ik3 n GLY 442 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.59 4.59 0.25 -0.61 1.01 -0.65 -5.09 121.20 118.11 3ik3 s ILE 443 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 3ik3 s ILE 443 Cb 0.00 -3.07 -0.09 0.00 0.01 0.00 0.00 42.46 39.31 3ik3 s ILE 443 CO 0.00 0.45 0.92 1.51 0.00 0.00 0.00 174.94 177.82 3ik3 s ASP 444 N 0.55 7.55 0.55 3.58 -4.77 -1.26 -4.90 116.67 117.96 3ik3 s ASP 444 Ca 0.02 1.88 0.31 0.00 -3.30 0.00 0.00 52.55 51.47 3ik3 s ASP 444 Cb -0.13 -2.59 1.47 0.00 -1.09 0.00 0.00 42.92 40.58 3ik3 s ASP 444 CO 0.01 0.12 1.89 -0.07 0.70 0.00 0.00 175.17 177.82 3ik3 h LEU 445 N 3.97 0.00 -0.66 2.11 4.07 -1.98 0.27 115.31 123.09 3ik3 h LEU 445 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3ik3 h LEU 445 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 3ik3 h LEU 445 CO 0.67 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.49 3ik3 n SER 446 N -4.18 0.59 -0.05 -0.43 3.41 -1.26 -2.03 113.62 109.67 3ik3 n SER 446 Ca 0.17 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.50 3ik3 n SER 446 Cb 0.91 -0.77 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.15 1.78 0.18 4.33 3.00 0.95 -4.72 117.38 120.75 3ik3 n GLN 447 Ca 0.02 -0.10 -0.14 0.00 -0.01 0.00 0.00 57.00 56.77 3ik3 n GLN 447 Cb 0.21 -1.25 -0.07 0.00 0.00 0.00 0.00 30.24 29.13 3ik3 n GLN 447 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3ik3 h VAL 448 N 0.22 0.57 -0.19 5.09 2.07 -1.46 -2.18 116.25 120.38 3ik3 h VAL 448 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3ik3 h VAL 448 Cb 0.39 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3ik3 h VAL 448 CO 0.00 0.00 0.05 0.22 0.02 0.00 0.00 177.57 177.86 3ik3 h TYR 449 N -0.48 0.08 -0.72 1.57 3.20 -1.84 -0.40 116.97 118.38 3ik3 h TYR 449 Ca -0.02 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3ik3 h TYR 449 Cb 0.42 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 3ik3 h TYR 449 CO -0.12 0.03 0.36 0.93 -1.64 0.00 0.00 178.16 177.73 3ik3 h GLU 450 N 0.13 1.01 -0.43 1.82 5.08 -1.85 -0.04 114.58 120.31 3ik3 h GLU 450 Ca 0.08 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3ik3 h GLU 450 Cb 0.07 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3ik3 h GLU 450 CO -0.10 0.77 0.04 -0.07 -1.00 0.00 0.00 179.01 178.64 3ik3 h LEU 451 N 1.01 0.71 -0.79 1.33 3.38 -1.08 -2.53 115.31 117.34 3ik3 h LEU 451 Ca 0.25 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ik3 h LEU 451 Cb 0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3ik3 h LEU 451 CO -0.04 0.82 0.50 -0.07 0.09 0.00 0.00 178.44 179.74 3ik3 h LEU 452 N 0.58 0.93 -1.77 1.67 3.38 -0.28 -1.22 115.31 118.61 3ik3 h LEU 452 Ca 0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ik3 h LEU 452 Cb 0.43 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ik3 h LEU 452 CO 0.01 0.70 -0.08 -0.08 0.09 0.00 0.00 178.44 179.08 3ik3 h GLU 453 N 1.08 0.00 -0.11 1.13 4.81 -0.96 0.75 114.58 121.27 3ik3 h GLU 453 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3ik3 h GLU 453 Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3ik3 h GLU 453 CO -0.06 0.08 0.00 1.63 -0.73 0.00 0.00 179.01 179.93 3ik3 n LYS 454 N -3.32 1.47 -1.00 1.92 5.02 -0.87 -4.93 118.16 116.46 3ik3 n LYS 454 Ca -0.01 -0.71 0.00 0.00 -2.02 0.00 0.00 58.31 55.57 3ik3 n LYS 454 Cb 0.27 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.06 -3.00 -4.75 4.39 2.03 0.26 -5.04 116.55 110.37 3ik3 n ASP 455 Ca 0.15 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.05 3ik3 n ASP 455 Cb 0.23 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 40.10 3ik3 n ASP 455 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3ik3 s TYR 456 N -2.00 3.25 0.06 -0.67 5.04 -0.52 -5.00 117.35 117.51 3ik3 s TYR 456 Ca 0.00 1.39 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 3ik3 s TYR 456 Cb 0.00 -3.56 -0.03 0.00 0.35 0.00 0.00 41.96 38.71 3ik3 s TYR 456 CO 0.00 -1.59 -0.06 1.03 -1.34 0.00 0.00 175.55 173.59 3ik3 s ARG 457 N -0.98 0.60 0.39 4.97 1.81 -1.26 -4.21 118.95 120.26 3ik3 s ARG 457 Ca 0.51 -0.99 -0.26 0.00 -1.72 0.00 0.00 55.73 53.28 3ik3 s ARG 457 Cb -0.37 -0.11 -0.11 0.00 -0.45 0.00 0.00 34.95 33.91 3ik3 s ARG 457 CO 0.44 -0.01 1.09 -1.33 -0.68 0.00 0.00 175.30 174.80 3ik3 n MET 458 N 0.80 1.55 -1.51 3.54 2.81 -1.26 -4.96 117.12 118.09 3ik3 n MET 458 Ca -0.18 0.55 -0.30 0.00 -1.81 0.00 0.00 57.70 55.96 3ik3 n MET 458 Cb 0.58 -2.10 0.10 0.00 -0.71 0.00 0.00 33.22 31.09 3ik3 n MET 458 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3ik3 s GLU 459 N -1.94 1.88 -0.00 0.03 -1.05 -1.26 -4.99 118.70 111.37 3ik3 s GLU 459 Ca 0.61 0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 55.74 3ik3 s GLU 459 Cb -0.58 -1.90 -0.05 0.00 -0.44 0.00 0.00 34.13 31.16 3ik3 s GLU 459 CO 0.58 -1.76 1.37 0.50 0.95 0.00 0.00 175.26 176.90 3ik3 s ARG 460 N -5.15 4.30 0.66 -4.83 3.52 -1.26 -4.99 118.95 111.20 3ik3 s ARG 460 Ca 0.61 1.93 -0.18 0.00 -0.13 0.00 0.00 55.73 57.97 3ik3 s ARG 460 Cb -0.15 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.68 3ik3 s ARG 460 CO 0.54 -0.54 1.21 -2.30 -0.81 0.00 0.00 175.30 173.40 3ik3 n PRO 461 N 5.25 0.97 -1.70 5.12 -0.02 -1.26 -4.88 135.00 138.48 3ik3 n PRO 461 Ca 0.13 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 3ik3 n PRO 461 Cb 0.44 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 3ik3 n PRO 461 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3ik3 n GLU 462 N -1.87 2.60 -0.50 -0.52 2.13 -1.26 -1.92 120.64 119.29 3ik3 n GLU 462 Ca 0.15 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.91 3ik3 n GLU 462 Cb 0.48 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.42 3ik3 n GLU 462 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ik3 n GLY 463 N 3.88 1.35 3.68 8.31 0.00 -1.26 -4.98 105.19 116.17 3ik3 n GLY 463 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3ik3 n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ik3 s PRO 465 N 2.53 3.27 0.22 0.00 0.04 -1.26 -4.79 135.00 135.00 3ik3 s PRO 465 Ca 0.55 2.22 -0.08 0.00 0.04 0.00 0.00 61.00 63.73 3ik3 s PRO 465 Cb -0.23 -2.32 0.32 0.00 0.04 0.00 0.00 34.50 32.30 3ik3 s PRO 465 CO 0.19 -1.08 1.76 1.49 0.04 0.00 0.00 177.00 179.40 3ik3 h GLU 466 N 1.63 0.48 -0.44 4.56 4.57 -1.99 -1.45 114.58 121.93 3ik3 h GLU 466 Ca -0.51 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.60 3ik3 h GLU 466 Cb 1.29 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 3ik3 h GLU 466 CO 0.58 0.32 0.09 0.87 -1.18 0.00 0.00 179.01 179.69 3ik3 h LYS 467 N 0.50 0.67 -0.46 1.92 1.57 -1.99 0.56 116.57 119.34 3ik3 h LYS 467 Ca 0.33 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 3ik3 h LYS 467 Cb 0.39 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3ik3 h LYS 467 CO -0.30 0.63 -0.18 0.28 -0.57 0.00 0.00 179.45 179.31 3ik3 h VAL 468 N 0.65 1.27 -0.45 0.50 2.07 -1.66 -2.36 116.25 116.27 3ik3 h VAL 468 Ca 0.15 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 3ik3 h VAL 468 Cb 0.27 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3ik3 h VAL 468 CO -0.00 0.45 0.02 0.22 0.02 0.00 0.00 177.57 178.28 3ik3 h TYR 469 N 0.76 0.77 -0.74 1.57 3.20 -0.39 -1.53 116.97 120.61 3ik3 h TYR 469 Ca 0.11 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3ik3 h TYR 469 Cb 0.74 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 3ik3 h TYR 469 CO 0.05 0.71 0.42 0.93 -1.64 0.00 0.00 178.16 178.64 3ik3 h GLU 470 N 0.69 1.02 -0.37 1.82 5.08 -0.73 -0.87 114.58 121.22 3ik3 h GLU 470 Ca 0.14 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3ik3 h GLU 470 Cb 0.40 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3ik3 h GLU 470 CO 0.01 0.73 -0.03 1.25 -1.00 0.00 0.00 179.01 179.97 3ik3 h LEU 471 N 1.03 0.66 -0.52 1.33 5.85 -0.85 -2.01 115.31 120.81 3ik3 h LEU 471 Ca 0.27 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.76 3ik3 h LEU 471 Cb -0.00 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 40.76 3ik3 h LEU 471 CO -0.05 0.83 -0.01 0.24 -0.34 0.00 0.00 178.44 179.12 3ik3 h MET 472 N 0.48 0.10 0.00 1.25 2.86 -0.51 -0.79 114.93 118.31 3ik3 h MET 472 Ca 0.10 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3ik3 h MET 472 Cb 0.51 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3ik3 h MET 472 CO 0.03 0.07 -0.24 0.00 1.06 0.00 0.00 176.91 177.83 3ik3 h ARG 473 N 0.11 0.00 0.03 1.72 2.47 -1.04 -1.99 114.38 115.68 3ik3 h ARG 473 Ca 0.26 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.72 3ik3 h ARG 473 Cb 0.40 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.74 3ik3 h ARG 473 CO -0.44 0.24 -1.07 0.00 0.56 0.00 0.00 179.97 179.25 3ik3 h ALA 474 N 1.76 0.15 -0.10 0.04 0.00 -0.53 -2.85 119.26 117.74 3ik3 h ALA 474 Ca -0.00 -0.72 0.03 0.00 0.00 0.00 0.00 54.91 54.22 3ik3 h ALA 474 Cb 0.61 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ik3 h ALA 474 CO 0.03 0.72 0.09 0.00 0.00 0.00 0.00 179.25 180.09 3ik3 n TRP 476 N -4.09 2.41 -1.75 0.00 8.01 -0.77 -3.51 117.44 117.73 3ik3 n TRP 476 Ca -0.01 -1.16 -0.42 0.00 -1.31 0.00 0.00 57.50 54.61 3ik3 n TRP 476 Cb 0.20 -0.68 -0.01 0.00 -2.01 0.00 0.00 31.31 28.81 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 -0.10 2.74 -0.12 -0.99 1.13 -0.92 -4.92 117.38 114.20 3ik3 n GLN 477 Ca 0.40 0.97 -0.07 0.00 -1.94 0.00 0.00 57.00 56.36 3ik3 n GLN 477 Cb 1.36 -2.76 0.01 0.00 0.11 0.00 0.00 30.24 28.97 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 4.69 0.36 -3.17 1.08 2.91 -1.92 -3.40 115.95 116.51 3ik3 h TRP 478 Ca -0.47 0.02 -0.58 0.00 1.13 0.00 0.00 58.89 58.98 3ik3 h TRP 478 Cb 1.22 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 29.70 3ik3 h TRP 478 CO 0.58 0.19 0.78 1.21 -1.03 0.00 0.00 178.44 180.17 3ik3 s ASN 479 N -5.45 7.02 0.31 2.65 3.84 -1.26 -4.85 114.94 117.20 3ik3 s ASN 479 Ca -0.13 1.25 0.07 0.00 0.21 0.00 0.00 52.86 54.26 3ik3 s ASN 479 Cb 0.12 -2.53 0.83 0.00 -0.55 0.00 0.00 41.25 39.12 3ik3 s ASN 479 CO 0.72 -0.71 1.72 1.55 -2.79 0.00 0.00 177.10 177.58 3ik3 h PRO 480 N 7.65 0.50 0.00 0.43 0.13 -1.94 0.79 132.00 139.57 3ik3 h PRO 480 Ca -0.20 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3ik3 h PRO 480 Cb 1.06 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 3ik3 h PRO 480 CO 0.98 0.33 -0.02 0.66 -0.23 0.00 0.00 178.00 179.73 3ik3 h SER 481 N 0.52 0.00 0.63 1.44 4.64 -1.94 -2.07 113.55 116.77 3ik3 h SER 481 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 3ik3 h SER 481 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3ik3 h SER 481 CO -0.49 0.02 -0.12 0.47 -0.87 0.00 0.00 176.83 175.84 3ik3 n ASP 482 N -3.16 0.23 -4.81 4.97 8.00 0.27 -4.86 116.55 117.18 3ik3 n ASP 482 Ca -0.01 -0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.05 3ik3 n ASP 482 Cb 0.20 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.75 4.29 0.89 -1.24 0.52 -0.78 -4.90 118.95 114.98 3ik3 s ARG 483 Ca 0.21 0.98 -0.11 0.00 -0.52 0.00 0.00 55.73 56.29 3ik3 s ARG 483 Cb 0.19 -2.69 0.13 0.00 0.52 0.00 0.00 34.95 33.10 3ik3 s ARG 483 CO 0.53 0.27 1.11 -1.25 0.02 0.00 0.00 175.30 175.97 3ik3 s PRO 484 N -2.33 1.25 0.59 3.54 0.04 -1.26 -5.02 135.00 131.80 3ik3 s PRO 484 Ca 0.49 1.22 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 3ik3 s PRO 484 Cb -0.15 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 3ik3 s PRO 484 CO 0.20 -2.36 0.95 -1.54 0.04 0.00 0.00 177.00 174.28 3ik3 s SER 485 N -3.02 6.01 0.41 6.66 1.04 -1.26 -4.94 113.70 118.59 3ik3 s SER 485 Ca 0.65 1.11 0.11 0.00 0.48 0.00 0.00 55.95 58.29 3ik3 s SER 485 Cb -0.20 -2.19 0.86 0.00 0.10 0.00 0.00 66.02 64.59 3ik3 s SER 485 CO 0.58 -0.89 1.95 -0.26 0.98 0.00 0.00 173.24 175.59 3ik3 h PHE 486 N -0.19 0.18 -0.20 5.02 -1.00 -1.92 -1.12 116.94 117.71 3ik3 h PHE 486 Ca -0.45 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.35 3ik3 h PHE 486 Cb 1.22 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.69 3ik3 h PHE 486 CO 0.58 0.31 -0.03 0.00 -1.61 0.00 0.00 178.31 177.56 3ik3 h ALA 487 N 1.70 0.15 -0.26 2.45 0.00 -1.90 0.41 119.26 121.82 3ik3 h ALA 487 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ik3 h ALA 487 Cb 0.34 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ik3 h ALA 487 CO 0.02 -0.46 0.11 0.93 0.00 0.00 0.00 179.25 179.86 3ik3 h GLU 488 N 0.03 0.39 -0.55 0.00 5.08 -1.83 -1.59 114.58 116.10 3ik3 h GLU 488 Ca 0.10 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3ik3 h GLU 488 Cb 0.14 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3ik3 h GLU 488 CO -0.19 0.41 0.36 0.82 -1.00 0.00 0.00 179.01 179.41 3ik3 h ILE 489 N 0.28 1.12 -0.44 3.13 2.04 -0.91 -1.61 117.51 121.11 3ik3 h ILE 489 Ca 0.09 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3ik3 h ILE 489 Cb 0.16 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3ik3 h ILE 489 CO -0.01 0.13 0.25 -0.74 0.00 0.00 0.00 178.15 177.78 3ik3 h HIS 490 N 0.72 0.61 -0.85 1.37 2.76 0.05 -1.37 115.15 118.43 3ik3 h HIS 490 Ca 0.21 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 3ik3 h HIS 490 Cb -0.05 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 28.67 3ik3 h HIS 490 CO -0.04 0.45 0.56 0.37 -1.30 0.00 0.00 177.93 177.97 3ik3 h GLN 491 N 0.58 1.09 -0.25 5.26 -0.00 -1.01 0.18 115.11 120.97 3ik3 h GLN 491 Ca 0.16 -0.07 0.03 0.00 -0.00 0.00 0.00 58.65 58.77 3ik3 h GLN 491 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 27.48 27.25 3ik3 h GLN 491 CO -0.03 0.72 0.07 0.00 0.00 0.00 0.00 178.83 179.60 3ik3 h ALA 492 N 1.33 0.27 -0.15 3.38 0.00 -0.90 -2.03 119.26 121.16 3ik3 h ALA 492 Ca 0.32 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.07 3ik3 h ALA 492 Cb -0.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ik3 h ALA 492 CO -0.08 -0.34 -0.68 0.74 0.00 0.00 0.00 179.25 178.88 3ik3 h PHE 493 N 0.18 0.82 -0.98 0.00 0.04 -0.75 -2.51 116.94 113.74 3ik3 h PHE 493 Ca 0.11 -0.34 0.01 0.00 2.80 0.00 0.00 57.97 60.55 3ik3 h PHE 493 Cb 0.09 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.05 3ik3 h PHE 493 CO -0.14 1.12 0.65 1.49 -0.60 0.00 0.00 178.31 180.84 3ik3 h GLU 494 N 0.45 1.29 -0.02 1.51 4.57 -0.50 0.24 114.58 122.12 3ik3 h GLU 494 Ca -0.02 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3ik3 h GLU 494 Cb 1.27 -0.29 -0.00 0.00 -0.16 0.00 0.00 28.75 29.57 3ik3 h GLU 494 CO 0.13 0.85 0.01 1.15 -1.18 0.00 0.00 179.01 179.97 3ik3 h THR 495 N 1.33 1.12 -0.28 0.32 2.02 -1.19 -1.15 112.91 115.08 3ik3 h THR 495 Ca 0.36 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 3ik3 h THR 495 Cb -0.15 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3ik3 h THR 495 CO -0.08 0.10 -0.12 0.24 0.37 0.00 0.00 175.52 176.03 3ik3 h MET 496 N -0.11 0.47 -0.36 6.66 2.86 -1.04 -1.60 114.93 121.80 3ik3 h MET 496 Ca 0.01 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 3ik3 h MET 496 Cb 0.15 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3ik3 h MET 496 CO -0.00 0.59 -0.08 0.35 1.06 0.00 0.00 176.91 178.84 3ik3 h PHE 497 N 0.44 0.78 -0.63 -0.22 -0.00 -0.34 -1.06 116.94 115.91 3ik3 h PHE 497 Ca 0.08 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.97 57.87 3ik3 h PHE 497 Cb 0.47 -0.19 -0.03 0.00 -0.00 0.00 0.00 35.95 36.20 3ik3 h PHE 497 CO 0.01 0.84 0.31 1.96 -0.00 0.00 0.00 178.31 181.43 3ik3 h GLN 498 N 0.49 0.91 -0.40 1.11 1.08 -0.85 0.31 115.11 117.76 3ik3 h GLN 498 Ca 0.09 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3ik3 h GLN 498 Cb 0.58 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 3ik3 h GLN 498 CO 0.03 0.72 0.23 1.49 -0.95 0.00 0.00 178.83 180.35 3ik3 h GLU 499 N 0.87 0.56 -0.50 1.46 4.81 -1.23 -1.81 114.58 118.74 3ik3 h GLU 499 Ca 0.22 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 3ik3 h GLU 499 Cb 0.11 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3ik3 h GLU 499 CO -0.03 0.45 0.06 1.03 -0.73 0.00 0.00 179.01 179.79 3ik3 h SER 500 N 0.52 0.82 -0.62 1.04 0.87 -0.80 -2.63 113.55 112.76 3ik3 h SER 500 Ca 0.14 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.38 3ik3 h SER 500 Cb 0.04 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 3ik3 h SER 500 CO -0.02 0.88 0.21 -1.28 -0.53 0.00 0.00 176.83 176.09 3ik3 h SER 501 N 0.72 0.91 -0.49 6.23 0.87 -0.22 0.02 113.55 121.59 3ik3 h SER 501 Ca 0.15 -0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3ik3 h SER 501 Cb 0.42 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 3ik3 h SER 501 CO 0.01 0.85 0.23 0.40 -0.53 0.00 0.00 176.83 177.79 3ik3 h ILE 502 N 0.95 0.92 -0.59 2.23 2.04 -0.97 -1.01 117.51 121.07 3ik3 h ILE 502 Ca 0.21 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 3ik3 h ILE 502 Cb 0.26 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3ik3 h ILE 502 CO -0.01 0.08 0.18 0.28 0.00 0.00 0.00 178.15 178.68 3ik3 h SER 503 N 0.44 0.87 -0.63 1.72 0.02 -1.12 -2.94 113.55 111.91 3ik3 h SER 503 Ca 0.22 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3ik3 h SER 503 Cb 0.17 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3ik3 h SER 503 CO -0.18 0.85 0.39 -0.78 -1.14 0.00 0.00 176.83 175.97 3ik3 h ASP 504 N 0.84 0.63 0.12 3.07 -0.00 -0.49 -2.25 116.42 118.34 3ik3 h ASP 504 Ca 0.19 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 57.12 3ik3 h ASP 504 Cb 0.30 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.49 3ik3 h ASP 504 CO -0.00 0.44 -0.36 -0.33 -0.00 0.00 0.00 179.24 178.98 3ik3 h GLU 505 N 0.76 0.34 -0.44 0.28 4.39 -1.14 -1.94 114.58 116.82 3ik3 h GLU 505 Ca 0.26 -0.15 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 3ik3 h GLU 505 Cb 0.04 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3ik3 h GLU 505 CO -0.11 0.66 -0.29 0.28 -1.16 0.00 0.00 179.01 178.39 3ik3 h VAL 506 N 0.29 1.27 -0.49 3.13 2.07 -1.31 0.15 116.25 121.36 3ik3 h VAL 506 Ca 0.03 -1.46 -0.10 0.00 0.82 0.00 0.00 66.70 65.99 3ik3 h VAL 506 Cb 0.78 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3ik3 h VAL 506 CO 0.06 0.50 -0.09 -0.08 0.02 0.00 0.00 177.57 177.97 3ik3 h GLU 507 N 0.81 0.92 -0.72 1.57 4.57 -1.17 -1.57 114.58 118.99 3ik3 h GLU 507 Ca 0.09 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 57.89 3ik3 h GLU 507 Cb 0.88 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 3ik3 h GLU 507 CO 0.08 1.00 0.30 0.87 -1.18 0.00 0.00 179.01 180.08 3ik3 h LYS 508 N 0.77 1.08 -0.49 1.92 1.57 -1.26 -0.83 116.57 119.34 3ik3 h LYS 508 Ca 0.13 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3ik3 h LYS 508 Cb 0.64 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3ik3 h LYS 508 CO 0.04 0.88 0.02 1.49 -0.57 0.00 0.00 179.45 181.31 3ik3 h GLU 509 N 1.04 0.80 -0.45 3.15 4.57 -0.42 0.41 114.58 123.68 3ik3 h GLU 509 Ca 0.24 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3ik3 h GLU 509 Cb 0.20 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3ik3 h GLU 509 CO -0.02 0.80 0.24 -0.07 -1.18 0.00 0.00 179.01 178.78 3ik3 h LEU 510 N 0.75 0.56 -0.08 1.64 3.38 -1.05 -3.14 115.31 117.37 3ik3 h LEU 510 Ca 0.15 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ik3 h LEU 510 Cb 0.43 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3ik3 h LEU 510 CO 0.02 0.49 -0.17 1.23 0.09 0.00 0.00 178.44 180.10 3ik3 h GLY 511 N 0.58 -0.16 -7.41 0.83 0.00 -0.12 -3.24 103.07 93.55 3ik3 h GLY 511 Ca 0.16 0.21 -0.50 0.00 0.00 0.00 0.00 47.33 47.19 3ik3 h GLY 511 CO -0.02 -0.16 1.41 0.54 0.00 0.00 0.00 176.54 178.31 3ik3 s LYS 512 N -6.13 2.61 0.00 4.80 1.02 0.04 -5.10 119.74 116.99 3ik3 s LYS 512 Ca -0.15 0.96 0.00 0.00 0.02 0.00 0.00 55.97 56.80 3ik3 s LYS 512 Cb 0.10 -4.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.00 3ik3 s LYS 512 CO 0.67 -2.72 0.00 0.54 -0.92 0.00 0.00 175.35 172.92