#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bob s SER 225 N 0.00 5.33 0.28 9.51 1.04 -1.26 -4.89 113.70 123.71 3bob s SER 225 Ca 0.00 0.92 -0.01 0.00 0.48 0.00 0.00 55.95 57.34 3bob s SER 225 Cb 0.00 -1.72 0.48 0.00 0.10 0.00 0.00 66.02 64.87 3bob s SER 225 CO 0.00 -1.35 1.89 -0.65 0.98 0.00 0.00 173.24 174.11 3bob h PRO 226 N -0.56 1.07 -0.43 4.02 0.11 -2.00 -0.82 132.00 133.39 3bob h PRO 226 Ca -0.45 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 3bob h PRO 226 Cb 1.27 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3bob h PRO 226 CO 0.63 0.71 -0.14 0.00 -0.21 0.00 0.00 178.00 178.99 3bob h ALA 227 N 1.49 0.95 -0.20 -0.75 0.00 -1.99 -0.72 119.26 118.03 3bob h ALA 227 Ca 0.43 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3bob h ALA 227 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3bob h ALA 227 CO -0.17 0.61 -0.27 1.96 0.00 0.00 0.00 179.25 181.38 3bob h GLN 228 N 0.71 0.38 -0.15 0.00 4.20 -1.74 -0.22 115.11 118.28 3bob h GLN 228 Ca 0.12 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 3bob h GLN 228 Cb 0.63 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3bob h GLN 228 CO 0.04 0.63 -0.04 0.82 -0.67 0.00 0.00 178.83 179.61 3bob h ILE 229 N 0.34 1.29 -0.70 2.54 2.04 -0.72 -1.01 117.51 121.29 3bob h ILE 229 Ca 0.05 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.92 3bob h ILE 229 Cb 0.66 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 3bob h ILE 229 CO 0.05 0.30 0.45 0.00 0.00 0.00 0.00 178.15 178.95 3bob h ALA 230 N 0.70 0.91 -0.48 1.87 0.00 -0.91 -1.36 119.26 119.99 3bob h ALA 230 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bob h ALA 230 Cb 0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3bob h ALA 230 CO 0.02 0.24 0.29 1.49 0.00 0.00 0.00 179.25 181.29 3bob h GLU 231 N 0.89 0.65 -0.73 0.00 4.81 -0.93 0.88 114.58 120.14 3bob h GLU 231 Ca 0.28 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3bob h GLU 231 Cb -0.01 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 3bob h GLU 231 CO -0.09 0.47 0.43 0.00 -0.73 0.00 0.00 179.01 179.08 3bob h ALA 232 N 1.14 0.94 -0.38 2.92 0.00 -0.68 -0.26 119.26 122.95 3bob h ALA 232 Ca 0.17 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3bob h ALA 232 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3bob h ALA 232 CO -0.03 0.43 -0.36 -0.07 0.00 0.00 0.00 179.25 179.22 3bob h LEU 233 N 1.01 0.97 -1.32 0.00 3.38 -1.01 -2.93 115.31 115.41 3bob h LEU 233 Ca 0.26 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3bob h LEU 233 Cb -0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3bob h LEU 233 CO -0.05 1.23 0.17 1.56 0.09 0.00 0.00 178.44 181.45 3bob h GLN 234 N 0.73 0.64 0.00 1.13 4.20 -0.45 -0.72 115.11 120.64 3bob h GLN 234 Ca 0.06 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3bob h GLN 234 Cb 0.95 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3bob h GLN 234 CO 0.09 0.54 0.00 0.78 -0.67 0.00 0.00 178.83 179.57 3bob h GLY 235 N 0.79 0.00 -2.52 3.46 0.00 -0.86 -0.64 103.07 103.30 3bob h GLY 235 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3bob h GLY 235 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.07 3bob n ARG 236 N -2.79 3.19 -0.57 4.80 1.74 -0.37 -4.95 116.66 117.71 3bob n ARG 236 Ca -0.01 -2.66 0.00 0.00 -0.77 0.00 0.00 57.85 54.41 3bob n ARG 236 Cb 0.16 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 3bob n ARG 236 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bob n GLY 237 N 1.10 0.70 3.93 -0.13 0.00 -0.25 -5.07 105.19 105.47 3bob n GLY 237 Ca 0.23 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3bob n GLY 237 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bob s TRP 238 N -2.00 3.36 -0.13 1.61 0.52 -0.64 -4.99 118.94 116.67 3bob s TRP 238 Ca 0.00 0.55 -0.07 0.00 0.02 0.00 0.00 56.10 56.60 3bob s TRP 238 Cb 0.00 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.88 3bob s TRP 238 CO 0.00 -0.43 0.13 -0.51 0.02 0.00 0.00 176.95 176.16 3bob s ASP 239 N -4.19 6.28 -0.11 2.95 1.11 -0.50 -4.22 116.67 118.00 3bob s ASP 239 Ca 0.49 0.41 -0.06 0.00 0.18 0.00 0.00 52.55 53.57 3bob s ASP 239 Cb -0.10 -2.04 0.04 0.00 1.07 0.00 0.00 42.92 41.90 3bob s ASP 239 CO 0.42 0.37 0.25 0.00 1.18 0.00 0.00 175.17 177.40 3bob s ALA 240 N -0.81 -0.59 0.02 5.23 0.00 -1.26 -1.03 121.76 123.33 3bob s ALA 240 Ca 0.14 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.09 3bob s ALA 240 Cb -0.12 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 3bob s ALA 240 CO 0.03 -0.19 -0.08 -1.83 0.00 0.00 0.00 175.76 173.70 3bob s GLU 241 N 1.07 0.55 -0.17 0.00 -1.05 -0.45 -4.99 118.70 113.66 3bob s GLU 241 Ca -0.08 -0.54 -0.16 0.00 -0.15 0.00 0.00 54.97 54.04 3bob s GLU 241 Cb -0.09 -0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 33.13 3bob s GLU 241 CO -0.07 0.10 0.41 0.42 0.95 0.00 0.00 175.26 177.06 3bob s ILE 242 N -0.82 5.21 0.23 1.83 1.01 -1.26 -0.60 121.20 126.81 3bob s ILE 242 Ca -0.04 0.76 0.09 0.00 0.00 0.00 0.00 60.65 61.47 3bob s ILE 242 Cb -0.07 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3bob s ILE 242 CO 0.00 0.30 -0.17 0.68 0.00 0.00 0.00 174.94 175.76 3bob s VAL 243 N 0.93 2.03 0.51 2.92 -7.23 0.14 -4.90 120.40 114.79 3bob s VAL 243 Ca 0.21 -2.28 -0.10 0.00 -1.81 0.00 0.00 61.98 57.99 3bob s VAL 243 Cb -0.14 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 3bob s VAL 243 CO 0.08 -0.51 0.88 0.42 -0.31 0.00 0.00 175.10 175.66 3bob s THR 244 N -2.78 4.76 0.30 5.32 -4.23 -1.26 -1.72 115.64 116.04 3bob s THR 244 Ca 0.25 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.45 3bob s THR 244 Cb -0.02 -3.81 0.11 0.00 1.34 0.00 0.00 72.50 70.11 3bob s THR 244 CO 0.10 -0.83 1.79 -2.24 -0.54 0.00 0.00 174.62 172.90 3bob h ASP 245 N 0.43 0.50 -0.65 3.99 2.03 -1.74 -2.60 116.42 118.39 3bob h ASP 245 Ca -0.46 -0.13 0.03 0.00 -0.73 0.00 0.00 57.03 55.74 3bob h ASP 245 Cb 1.19 -0.13 -0.04 0.00 -0.83 0.00 0.00 39.33 39.52 3bob h ASP 245 CO 0.62 0.66 0.43 0.00 -1.03 0.00 0.00 179.24 179.93 3bob h ALA 246 N 1.39 1.63 0.00 4.15 0.00 -1.93 -0.74 119.26 123.76 3bob h ALA 246 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3bob h ALA 246 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3bob h ALA 246 CO 0.03 0.30 0.00 0.66 0.00 0.00 0.00 179.25 180.24 3bob h SER 247 N 0.78 0.00 -0.54 0.00 4.64 -1.85 -2.28 113.55 114.30 3bob h SER 247 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3bob h SER 247 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3bob h SER 247 CO -0.07 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.12 3bob n MET 248 N -2.72 3.04 -1.67 4.77 2.81 -0.29 -5.00 117.12 118.05 3bob n MET 248 Ca -0.00 -2.52 -0.45 0.00 -1.81 0.00 0.00 57.70 52.92 3bob n MET 248 Cb 0.18 -1.56 -0.03 0.00 -0.71 0.00 0.00 33.22 31.11 3bob n MET 248 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3bob n ALA 249 N 0.94 1.16 0.00 3.04 0.00 -0.86 -1.20 120.51 123.58 3bob n ALA 249 Ca 0.20 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3bob n ALA 249 Cb 0.64 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3bob n ALA 249 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bob n GLY 250 N 2.28 1.12 0.01 0.00 0.00 -1.26 -4.83 105.19 102.51 3bob n GLY 250 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3bob n GLY 250 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bob n GLN 251 N -2.00 1.77 -2.58 1.61 6.02 -0.34 -5.02 117.38 116.83 3bob n GLN 251 Ca 0.00 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.57 3bob n GLN 251 Cb 0.00 -1.05 -0.04 0.00 1.02 0.00 0.00 30.24 30.16 3bob n GLN 251 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3bob s LEU 252 N -3.63 4.49 0.06 1.08 1.43 -1.13 -4.38 118.68 116.59 3bob s LEU 252 Ca -0.01 1.98 0.05 0.00 -1.03 0.00 0.00 54.13 55.12 3bob s LEU 252 Cb 0.01 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 3bob s LEU 252 CO 0.09 -0.18 -0.13 0.68 0.23 0.00 0.00 176.35 177.04 3bob s VAL 253 N -0.09 1.01 0.32 -1.59 -7.23 -0.37 -4.96 120.40 107.49 3bob s VAL 253 Ca 0.49 -1.17 -0.28 0.00 -1.81 0.00 0.00 61.98 59.21 3bob s VAL 253 Cb -0.27 -0.97 -0.09 0.00 0.56 0.00 0.00 36.38 35.61 3bob s VAL 253 CO 0.33 -0.18 1.12 -1.81 -0.31 0.00 0.00 175.10 174.24 3bob s ASP 254 N -1.53 7.05 0.29 4.85 1.01 -1.26 -0.60 116.67 126.47 3bob s ASP 254 Ca -0.02 2.28 -0.29 0.00 0.71 0.00 0.00 52.55 55.22 3bob s ASP 254 Cb -0.09 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.12 3bob s ASP 254 CO 0.02 -0.30 1.16 -0.69 0.21 0.00 0.00 175.17 175.57 3bob s VAL 255 N -1.27 3.28 0.06 -1.27 1.01 -0.31 -4.83 120.40 117.08 3bob s VAL 255 Ca 0.49 1.27 0.10 0.00 0.00 0.00 0.00 61.98 63.84 3bob s VAL 255 Cb -0.31 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3bob s VAL 255 CO 0.40 0.30 -0.26 0.00 0.00 0.00 0.00 175.10 175.53 3bob s ARG 256 N -1.44 1.68 0.60 2.72 1.70 -0.30 -4.99 118.95 118.91 3bob s ARG 256 Ca 0.46 -1.16 0.31 0.00 -0.47 0.00 0.00 55.73 54.88 3bob s ARG 256 Cb -0.34 -1.92 1.87 0.00 -0.57 0.00 0.00 34.95 33.99 3bob s ARG 256 CO 0.44 0.49 2.26 -1.00 -1.08 0.00 0.00 175.30 176.41 3bob h PRO 257 N 4.58 0.00 0.00 3.89 0.13 -1.88 -1.17 132.00 137.55 3bob h PRO 257 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3bob h PRO 257 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3bob h PRO 257 CO 0.42 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 3bob n GLU 258 N -3.75 0.19 -2.91 0.86 4.71 -1.26 -3.81 120.64 114.67 3bob n GLU 258 Ca -0.03 0.28 -0.36 0.00 -0.01 0.00 0.00 57.16 57.04 3bob n GLU 258 Cb 0.09 -1.78 -0.06 0.00 -1.01 0.00 0.00 31.44 28.68 3bob n GLU 258 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3bob s GLY 259 N -3.46 2.71 0.22 0.62 0.00 -0.44 -4.72 107.32 102.25 3bob s GLY 259 Ca 0.08 0.37 -0.27 0.00 0.00 0.00 0.00 44.72 44.91 3bob s GLY 259 CO 0.48 0.78 0.86 -0.26 0.00 0.00 0.00 173.10 174.95 3bob s ILE 260 N -1.60 4.25 -0.32 0.90 -4.36 -0.64 -1.96 121.20 117.48 3bob s ILE 260 Ca 0.48 1.82 -0.29 0.00 -0.26 0.00 0.00 60.65 62.40 3bob s ILE 260 Cb -0.17 -4.16 0.02 0.00 1.25 0.00 0.00 42.46 39.39 3bob s ILE 260 CO 0.22 0.43 1.09 -0.22 0.24 0.00 0.00 174.94 176.70 3bob s LEU 261 N -1.37 3.93 0.00 0.37 0.20 0.33 -3.81 118.68 118.33 3bob s LEU 261 Ca 0.40 1.06 0.05 0.00 0.69 0.00 0.00 54.13 56.33 3bob s LEU 261 Cb -0.23 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 41.97 3bob s LEU 261 CO 0.27 -0.89 0.18 2.29 -0.29 0.00 0.00 176.35 177.91 3bob n LYS 262 N 6.90 0.49 -1.50 1.98 2.85 -0.40 -2.58 118.16 125.91 3bob n LYS 262 Ca 0.12 -2.90 -0.31 0.00 -1.05 0.00 0.00 58.31 54.17 3bob n LYS 262 Cb 0.47 1.96 0.06 0.00 -0.65 0.00 0.00 35.03 36.88 3bob n LYS 262 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3bob n VAL 264 N -3.13 0.77 -1.48 0.00 0.24 -1.20 -4.62 118.33 108.91 3bob n VAL 264 Ca 0.09 0.15 -0.55 0.00 -2.04 0.00 0.00 64.34 61.99 3bob n VAL 264 Cb 0.53 -0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 31.88 3bob n VAL 264 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3bob n ASP 265 N -1.87 -0.28 -0.44 -1.34 -0.08 -1.26 -2.42 116.55 108.85 3bob n ASP 265 Ca 0.04 1.15 0.13 0.00 -1.51 0.00 0.00 54.79 54.59 3bob n ASP 265 Cb 0.24 -0.95 0.52 0.00 2.34 0.00 0.00 41.12 43.27 3bob n ASP 265 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3bob n GLY 266 N 1.70 -0.03 3.89 0.27 0.00 -1.25 -4.83 105.19 104.93 3bob n GLY 266 Ca 0.19 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3bob n GLY 266 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bob s ARG 267 N -1.94 3.29 0.84 1.61 0.52 -1.26 -4.11 118.95 117.90 3bob s ARG 267 Ca 0.37 0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 55.93 3bob s ARG 267 Cb 0.20 -2.14 0.10 0.00 0.52 0.00 0.00 34.95 33.62 3bob s ARG 267 CO 0.31 -0.65 1.09 0.20 0.02 0.00 0.00 175.30 176.27 3bob s GLY 268 N -4.23 1.63 0.18 -3.53 0.00 -1.26 -4.82 107.32 95.29 3bob s GLY 268 Ca 0.54 -0.07 -0.08 0.00 0.00 0.00 0.00 44.72 45.11 3bob s GLY 268 CO 0.51 0.37 0.42 -1.14 0.00 0.00 0.00 173.10 173.26 3bob n SER 269 N -3.66 -1.12 -0.70 1.64 3.41 -1.26 -1.50 113.62 110.44 3bob n SER 269 Ca 0.07 -1.74 0.04 0.00 -0.26 0.00 0.00 58.87 56.98 3bob n SER 269 Cb 0.55 1.85 0.14 0.00 -0.26 0.00 0.00 64.21 66.49 3bob n SER 269 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3bob n ASP 270 N -1.21 1.98 -4.70 4.04 5.68 -0.52 -4.94 116.55 116.88 3bob n ASP 270 Ca -0.04 -2.11 -0.42 0.00 -0.50 0.00 0.00 54.79 51.72 3bob n ASP 270 Cb 0.30 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 39.94 3bob n ASP 270 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3bob s ASN 271 N -0.80 6.55 -0.01 -1.12 2.47 -1.26 -4.86 114.94 115.91 3bob s ASN 271 Ca 0.20 2.60 0.05 0.00 0.42 0.00 0.00 52.86 56.13 3bob s ASN 271 Cb 0.12 -2.57 0.14 0.00 -1.45 0.00 0.00 41.25 37.49 3bob s ASN 271 CO 0.11 -0.91 1.11 0.35 -3.72 0.00 0.00 177.10 174.05 3bob n THR 272 N 4.55 1.04 -3.44 -5.21 -2.24 -1.26 -4.78 114.28 102.94 3bob n THR 272 Ca 0.16 -1.05 -0.27 0.00 -2.27 0.00 0.00 64.05 60.63 3bob n THR 272 Cb 0.39 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 69.01 3bob n THR 272 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3bob n ARG 273 N -0.11 2.09 -1.58 -0.78 1.74 -1.26 -5.07 116.66 111.68 3bob n ARG 273 Ca 0.05 -4.37 -0.29 0.00 -0.77 0.00 0.00 57.85 52.48 3bob n ARG 273 Cb 0.34 -2.07 0.13 0.00 -1.02 0.00 0.00 32.46 29.84 3bob n ARG 273 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3bob s MET 274 N -2.08 1.27 0.00 5.56 -1.94 -1.26 -1.62 119.30 119.23 3bob s MET 274 Ca 0.37 0.28 0.00 0.00 -1.71 0.00 0.00 55.69 54.64 3bob s MET 274 Cb 0.13 -1.85 0.00 0.00 2.01 0.00 0.00 34.83 35.11 3bob s MET 274 CO -0.05 -2.11 0.00 0.41 -0.01 0.00 0.00 175.02 173.26 3bob n GLY 275 N -2.33 0.44 3.79 -0.03 0.00 -1.26 -3.72 105.19 102.08 3bob n GLY 275 Ca 0.07 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 3bob n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bob s GLY 276 N -2.93 1.73 0.70 -0.02 0.00 -1.25 -1.15 107.32 104.40 3bob s GLY 276 Ca 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 44.72 42.94 3bob s GLY 276 CO 0.00 -1.62 1.10 2.56 0.00 0.00 0.00 173.10 175.14 3bob s PRO 277 N -3.88 2.61 -0.15 2.90 0.04 -1.26 -4.77 135.00 130.49 3bob s PRO 277 Ca 0.37 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 3bob s PRO 277 Cb -0.05 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 3bob s PRO 277 CO 0.24 -1.38 -0.11 0.15 0.04 0.00 0.00 177.00 175.94 3bob s LYS 278 N -4.41 3.40 0.02 4.56 -0.14 -1.26 -1.27 119.74 120.64 3bob s LYS 278 Ca 0.65 -0.66 -0.04 0.00 -1.36 0.00 0.00 55.97 54.56 3bob s LYS 278 Cb -0.19 -2.74 -0.01 0.00 -1.68 0.00 0.00 37.83 33.21 3bob s LYS 278 CO 0.47 0.12 0.05 -1.64 -0.76 0.00 0.00 175.35 173.59 3bob s MET 279 N 0.61 0.43 0.01 1.68 -1.94 -0.12 -1.18 119.30 118.79 3bob s MET 279 Ca -0.06 -0.58 -0.35 0.00 -1.71 0.00 0.00 55.69 53.00 3bob s MET 279 Cb -0.15 0.17 -0.13 0.00 2.01 0.00 0.00 34.83 36.72 3bob s MET 279 CO 0.03 -0.09 1.72 -2.30 -0.01 0.00 0.00 175.02 174.37 3bob n PRO 280 N 1.35 2.04 -1.36 2.03 -0.02 -1.26 -0.92 135.00 136.86 3bob n PRO 280 Ca -0.22 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3bob n PRO 280 Cb 0.56 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 3bob n PRO 280 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bob n GLY 281 N 3.89 1.33 7.00 -1.23 0.00 -1.26 -1.96 105.19 112.96 3bob n GLY 281 Ca 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3bob n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bob n GLY 282 N -1.30 2.52 0.04 -0.02 0.00 -0.10 -2.13 105.19 104.21 3bob n GLY 282 Ca -0.12 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.62 3bob n GLY 282 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3bob n ILE 283 N 0.00 1.06 0.28 -0.61 -5.35 -0.77 -2.31 119.36 111.66 3bob n ILE 283 Ca 0.00 0.30 0.14 0.00 -0.27 0.00 0.00 62.75 62.92 3bob n ILE 283 Cb 0.00 -1.14 0.84 0.00 -1.74 0.00 0.00 39.64 37.61 3bob n ILE 283 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3bob h TYR 284 N 0.00 0.00 -0.70 4.28 0.05 -1.63 -1.42 116.97 117.56 3bob h TYR 284 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3bob h TYR 284 Cb 0.24 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 3bob h TYR 284 CO 0.00 0.05 0.46 0.00 -1.05 0.00 0.00 178.16 177.62 3bob h ALA 285 N 1.95 1.53 -0.06 3.88 0.00 -0.98 0.28 119.26 125.86 3bob h ALA 285 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3bob h ALA 285 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3bob h ALA 285 CO 0.01 0.42 -0.12 0.82 0.00 0.00 0.00 179.25 180.37 3bob h ILE 286 N 0.91 1.41 -0.51 0.00 2.04 -1.48 -1.28 117.51 118.62 3bob h ILE 286 Ca 0.26 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.70 3bob h ILE 286 Cb -0.05 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3bob h ILE 286 CO -0.06 0.39 0.32 0.00 0.00 0.00 0.00 178.15 178.80 3bob h ALA 287 N 0.49 0.64 -0.06 1.87 0.00 -1.38 -2.18 119.26 118.65 3bob h ALA 287 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bob h ALA 287 Cb 0.70 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3bob h ALA 287 CO 0.03 0.11 0.03 1.25 0.00 0.00 0.00 179.25 180.67 3bob h HIS 288 N 0.68 0.08 -0.48 0.00 -0.00 -0.95 0.69 115.15 115.16 3bob h HIS 288 Ca 0.18 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.60 3bob h HIS 288 Cb -0.04 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 3bob h HIS 288 CO -0.03 0.12 0.32 -0.97 -0.00 0.00 0.00 177.93 177.37 3bob h ASN 289 N 0.01 0.41 0.32 3.26 -0.73 -1.08 -1.82 115.58 115.94 3bob h ASN 289 Ca 0.02 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.19 3bob h ASN 289 Cb 0.07 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.57 3bob h ASN 289 CO -0.00 0.27 -0.37 0.54 -0.37 0.00 0.00 177.43 177.50 3bob n ARG 290 N -4.48 0.53 -1.75 6.67 1.74 -0.83 -4.85 116.66 113.69 3bob n ARG 290 Ca 0.06 -0.32 -0.09 0.00 -0.77 0.00 0.00 57.85 56.73 3bob n ARG 290 Cb 0.20 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.13 3bob n ARG 290 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bob n GLY 291 N 1.40 0.48 3.66 -0.13 0.00 -0.21 -4.99 105.19 105.40 3bob n GLY 291 Ca 0.10 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3bob n GLY 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bob s VAL 292 N -2.38 4.93 0.00 1.61 1.01 0.06 -4.91 120.40 120.72 3bob s VAL 292 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.38 3bob s VAL 292 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3bob s VAL 292 CO 0.00 0.04 0.24 0.35 0.00 0.00 0.00 175.10 175.73 3bob n THR 293 N 4.88 0.00 -3.33 3.92 -2.24 -1.26 -4.46 114.28 111.79 3bob n THR 293 Ca 0.02 -0.40 -0.27 0.00 -2.27 0.00 0.00 64.05 61.13 3bob n THR 293 Cb 0.49 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 3bob n THR 293 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3bob s SER 294 N -0.31 6.40 0.18 3.42 1.04 -1.26 -0.39 113.70 122.77 3bob s SER 294 Ca 0.00 0.64 -0.12 0.00 0.48 0.00 0.00 55.95 56.95 3bob s SER 294 Cb 0.00 -2.11 0.08 0.00 0.10 0.00 0.00 66.02 64.09 3bob s SER 294 CO 0.00 -0.23 1.76 0.40 0.98 0.00 0.00 173.24 176.14 3bob h ILE 295 N 1.16 1.22 -0.88 -1.02 1.08 -1.98 0.25 117.51 117.33 3bob h ILE 295 Ca -0.48 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 3bob h ILE 295 Cb 1.20 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 3bob h ILE 295 CO 0.65 0.25 0.57 -0.08 -0.69 0.00 0.00 178.15 178.85 3bob h GLU 296 N 0.83 1.17 -0.22 2.37 4.81 -1.99 -0.53 114.58 121.01 3bob h GLU 296 Ca 0.21 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 3bob h GLU 296 Cb 0.14 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3bob h GLU 296 CO -0.02 0.79 -0.27 0.78 -0.73 0.00 0.00 179.01 179.55 3bob h GLY 297 N 1.20 0.46 0.98 1.92 0.00 -1.82 -1.64 103.07 104.18 3bob h GLY 297 Ca 0.32 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 3bob h GLY 297 CO -0.07 0.35 -0.08 -2.00 0.00 0.00 0.00 176.54 174.75 3bob h LEU 298 N 0.38 0.77 -0.91 3.11 5.85 -0.18 -2.20 115.31 122.12 3bob h LEU 298 Ca 0.05 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 3bob h LEU 298 Cb 0.68 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3bob h LEU 298 CO 0.05 0.94 0.06 0.11 -0.34 0.00 0.00 178.44 179.26 3bob h LYS 299 N 0.58 0.86 -0.74 1.25 1.57 -0.90 -0.86 116.57 118.34 3bob h LYS 299 Ca 0.11 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3bob h LYS 299 Cb 0.59 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3bob h LYS 299 CO 0.04 0.82 0.38 0.37 -0.57 0.00 0.00 179.45 180.49 3bob h GLN 300 N 0.81 1.05 -0.32 3.15 4.15 -1.13 -1.58 115.11 121.25 3bob h GLN 300 Ca 0.17 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.35 3bob h GLN 300 Cb 0.40 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3bob h GLN 300 CO 0.01 0.80 -0.22 0.82 -1.93 0.00 0.00 178.83 178.31 3bob h ILE 301 N 1.03 1.27 -0.17 2.39 2.04 -0.94 -0.44 117.51 122.69 3bob h ILE 301 Ca 0.26 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.87 3bob h ILE 301 Cb 0.08 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3bob h ILE 301 CO -0.04 0.42 0.00 0.74 0.00 0.00 0.00 178.15 179.27 3bob h THR 302 N 0.54 0.89 -0.11 -0.27 2.02 -0.59 -0.02 112.91 115.37 3bob h THR 302 Ca 0.08 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 3bob h THR 302 Cb 0.68 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3bob h THR 302 CO 0.05 0.01 -0.36 0.11 0.37 0.00 0.00 175.52 175.70 3bob h LYS 303 N 0.06 0.22 -0.24 6.66 1.57 -1.00 -2.05 116.57 121.78 3bob h LYS 303 Ca 0.08 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3bob h LYS 303 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3bob h LYS 303 CO -0.13 0.56 0.07 1.49 -0.57 0.00 0.00 179.45 180.87 3bob h GLU 304 N 0.19 0.38 -0.73 3.15 4.81 -0.57 -1.67 114.58 120.14 3bob h GLU 304 Ca 0.02 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3bob h GLU 304 Cb 0.73 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 3bob h GLU 304 CO 0.06 0.47 0.46 0.28 -0.73 0.00 0.00 179.01 179.54 3bob h VAL 305 N 0.23 1.20 0.00 0.32 2.07 -0.83 -1.82 116.25 117.42 3bob h VAL 305 Ca 0.08 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3bob h VAL 305 Cb 0.25 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3bob h VAL 305 CO -0.00 0.21 -0.07 0.00 0.02 0.00 0.00 177.57 177.72 3bob h ALA 306 N 1.24 1.33 -0.00 1.67 0.00 -1.13 -1.51 119.26 120.87 3bob h ALA 306 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3bob h ALA 306 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3bob h ALA 306 CO -0.05 0.09 -0.25 -1.13 0.00 0.00 0.00 179.25 177.91 3bob n SER 307 N -3.64 0.56 -1.02 0.00 3.41 -0.65 -4.10 113.62 108.17 3bob n SER 307 Ca -0.02 -0.42 -0.02 0.00 -0.26 0.00 0.00 58.87 58.14 3bob n SER 307 Cb 0.18 0.02 0.20 0.00 -0.26 0.00 0.00 64.21 64.34 3bob n SER 307 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bob n LYS 308 N -1.10 1.81 -0.56 4.33 5.02 -0.57 -4.97 118.16 122.12 3bob n LYS 308 Ca 0.10 -3.27 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 3bob n LYS 308 Cb 0.32 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 3bob n LYS 308 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bob n GLY 309 N -1.11 0.70 3.03 0.72 0.00 -1.25 -5.06 105.19 102.22 3bob n GLY 309 Ca 0.29 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3bob n GLY 309 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bob s HIS 310 N -2.00 0.34 -0.18 1.61 3.76 -1.22 -4.02 115.29 113.57 3bob s HIS 310 Ca 0.00 -0.70 -0.20 0.00 -0.15 0.00 0.00 55.06 54.01 3bob s HIS 310 Cb 0.00 -0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.41 3bob s HIS 310 CO 0.00 -0.27 0.59 -0.51 -0.85 0.00 0.00 174.74 173.70 3bob s LEU 311 N -1.98 4.16 0.29 0.89 1.43 -0.83 -3.47 118.68 119.18 3bob s LEU 311 Ca -0.08 0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 53.53 3bob s LEU 311 Cb -0.04 -2.83 -0.10 0.00 0.03 0.00 0.00 46.19 43.26 3bob s LEU 311 CO -0.04 -0.21 1.15 -2.16 0.23 0.00 0.00 176.35 175.31 3bob s PRO 312 N 1.66 4.56 0.12 1.29 0.04 -1.26 -0.51 135.00 140.90 3bob s PRO 312 Ca 0.27 1.90 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 3bob s PRO 312 Cb -0.16 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 3bob s PRO 312 CO 0.11 0.11 0.20 -1.54 0.04 0.00 0.00 177.00 175.92 3bob s SER 313 N -0.80 0.13 0.22 6.66 1.04 -1.06 -0.46 113.70 119.43 3bob s SER 313 Ca 0.46 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3bob s SER 313 Cb -0.34 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 3bob s SER 313 CO 0.44 -0.78 0.13 0.68 0.98 0.00 0.00 173.24 174.69 3bob s VAL 314 N -3.92 0.12 0.17 5.02 -7.23 -1.09 -1.84 120.40 111.63 3bob s VAL 314 Ca 0.11 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 3bob s VAL 314 Cb 0.05 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 3bob s VAL 314 CO -0.06 0.00 0.34 -1.38 -0.31 0.00 0.00 175.10 173.69 3bob s HIS 315 N -4.01 0.31 0.00 2.82 -3.43 -1.26 -1.60 115.29 108.12 3bob s HIS 315 Ca 0.39 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 53.98 3bob s HIS 315 Cb 0.07 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.25 3bob s HIS 315 CO 0.14 -0.77 0.00 0.41 -2.00 0.00 0.00 174.74 172.52 3bob n GLY 316 N -0.25 5.41 3.54 -1.38 0.00 -0.47 -4.10 105.19 107.94 3bob n GLY 316 Ca -0.07 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 3bob n GLY 316 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3bob s ASP 317 N 0.57 0.75 -0.25 1.61 1.47 -0.18 -1.23 116.67 119.40 3bob s ASP 317 Ca 0.00 -1.41 0.08 0.00 1.18 0.00 0.00 52.55 52.40 3bob s ASP 317 Cb 0.00 0.68 0.62 0.00 -0.34 0.00 0.00 42.92 43.88 3bob s ASP 317 CO 0.00 -1.34 1.59 1.41 0.68 0.00 0.00 175.17 177.51 3bob n HIS 318 N -0.55 1.97 -0.03 2.11 8.25 -0.56 -1.54 115.22 124.87 3bob n HIS 318 Ca -0.00 -0.95 -0.04 0.00 -0.26 0.00 0.00 57.72 56.47 3bob n HIS 318 Cb 0.61 -0.57 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3bob n HIS 318 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3bob n SER 319 N 0.02 3.17 -0.09 0.41 7.64 -1.26 -4.82 113.62 118.69 3bob n SER 319 Ca 0.32 -0.02 0.03 0.00 1.01 0.00 0.00 58.87 60.21 3bob n SER 319 Cb 1.17 -0.10 0.04 0.00 -1.01 0.00 0.00 64.21 64.32 3bob n SER 319 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3bob n SER 320 N -2.73 1.37 0.00 6.43 7.64 -1.26 -5.06 113.62 120.01 3bob n SER 320 Ca -0.10 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.72 3bob n SER 320 Cb 0.60 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 3bob n SER 320 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3bob n ASP 321 N -0.56 0.00 0.00 6.43 8.00 -0.59 -1.74 116.55 128.08 3bob n ASP 321 Ca 0.04 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.64 3bob n ASP 321 Cb 0.47 0.00 0.48 0.00 -0.02 0.00 0.00 41.12 42.05 3bob n ASP 321 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3bob n MET 322 N 14.00 0.22 -0.28 -1.24 2.81 -1.26 -1.01 117.12 130.35 3bob n MET 322 Ca 0.00 0.11 0.06 0.00 -1.81 0.00 0.00 57.70 56.06 3bob n MET 322 Cb 0.00 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.20 3bob n MET 322 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3bob n LEU 323 N -1.33 2.52 0.00 4.03 4.77 -0.71 -3.96 117.00 122.31 3bob n LEU 323 Ca 0.08 -1.27 0.15 0.00 -0.03 0.00 0.00 56.01 54.94 3bob n LEU 323 Cb 0.17 -0.36 0.81 0.00 -2.33 0.00 0.00 43.42 41.71 3bob n LEU 323 CO 0.16 0.51 1.03 0.61 -1.33 0.00 0.00 177.39 178.36 3bob n GLY 324 N 0.90 -1.10 3.49 -0.72 0.00 -0.26 -4.57 105.19 102.93 3bob n GLY 324 Ca 0.14 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3bob n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bob h GLY 326 N 8.78 1.11 1.00 0.00 0.00 -1.95 -1.04 103.07 110.98 3bob h GLY 326 Ca -0.28 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3bob h GLY 326 CO 0.73 0.26 0.01 -2.75 0.00 0.00 0.00 176.54 174.79 3bob h PHE 327 N 0.88 0.01 -0.55 5.60 3.57 -1.95 -0.33 116.94 124.17 3bob h PHE 327 Ca 0.32 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.75 3bob h PHE 327 Cb 0.10 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3bob h PHE 327 CO -0.04 0.01 0.05 0.35 -2.23 0.00 0.00 178.31 176.44 3bob h PHE 328 N 0.01 0.96 -0.75 0.41 3.57 -1.87 -1.32 116.94 117.96 3bob h PHE 328 Ca 0.00 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 3bob h PHE 328 Cb -0.00 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 3bob h PHE 328 CO -0.08 0.85 0.46 -0.22 -2.23 0.00 0.00 178.31 177.09 3bob h LYS 329 N 0.85 1.01 -0.58 1.11 3.64 -0.94 0.96 116.57 122.62 3bob h LYS 329 Ca 0.17 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3bob h LYS 329 Cb 0.44 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3bob h LYS 329 CO 0.02 0.70 0.24 -0.07 -2.27 0.00 0.00 179.45 178.07 3bob h LEU 330 N 1.02 0.80 0.18 5.20 3.38 -0.67 -2.01 115.31 123.20 3bob h LEU 330 Ca 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3bob h LEU 330 Cb -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3bob h LEU 330 CO -0.05 0.74 -0.09 -0.25 0.09 0.00 0.00 178.44 178.88 3bob h TRP 331 N 0.80 -0.23 0.00 1.13 7.01 -0.65 -0.25 115.95 123.76 3bob h TRP 331 Ca 0.19 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 3bob h TRP 331 Cb 0.19 0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.32 3bob h TRP 331 CO 0.01 0.05 -0.10 -0.24 -2.79 0.00 0.00 178.44 175.37 3bob h VAL 332 N -0.50 0.40 -0.24 2.65 3.04 -0.83 -2.15 116.25 118.62 3bob h VAL 332 Ca -0.03 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 3bob h VAL 332 Cb 0.38 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3bob h VAL 332 CO 0.04 0.09 0.00 0.35 -1.01 0.00 0.00 177.57 177.04 3bob n THR 333 N -3.45 0.30 -0.88 3.17 -2.24 -0.76 -4.93 114.28 105.48 3bob n THR 333 Ca -0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3bob n THR 333 Cb 0.25 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3bob n THR 333 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bob n GLY 334 N 1.22 0.52 0.00 3.38 0.00 -0.81 -4.95 105.19 104.55 3bob n GLY 334 Ca 0.17 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.86 3bob n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bob n ARG 335 N -2.88 0.01 -0.22 1.61 5.12 -0.13 -1.77 116.66 118.40 3bob n ARG 335 Ca 0.00 0.27 0.10 0.00 -1.93 0.00 0.00 57.85 56.28 3bob n ARG 335 Cb 0.00 -1.50 0.21 0.00 -1.16 0.00 0.00 32.46 30.01 3bob n ARG 335 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3bob n PHE 336 N -1.49 0.58 -0.13 -1.55 3.72 -1.26 -4.69 117.46 112.64 3bob n PHE 336 Ca 0.03 -0.37 -0.07 0.00 -0.05 0.00 0.00 57.45 57.00 3bob n PHE 336 Cb 0.15 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 3bob n PHE 336 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3bob h ASP 337 N 3.54 -1.05 0.00 4.37 3.32 -1.56 -1.58 116.42 123.45 3bob h ASP 337 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3bob h ASP 337 Cb 0.87 0.50 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3bob h ASP 337 CO 0.00 -0.31 0.00 0.47 -1.72 0.00 0.00 179.24 177.68 3bob n ASP 338 N -5.42 0.00 -1.22 6.45 8.00 -1.26 -1.69 116.55 121.42 3bob n ASP 338 Ca 0.01 -0.91 0.11 0.00 0.71 0.00 0.00 54.79 54.71 3bob n ASP 338 Cb 0.34 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.72 3bob n ASP 338 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3bob n MET 339 N -0.98 2.54 -0.63 -1.24 2.81 -0.61 -4.94 117.12 114.07 3bob n MET 339 Ca 0.21 -2.38 0.00 0.00 -1.81 0.00 0.00 57.70 53.72 3bob n MET 339 Cb 0.09 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 3bob n MET 339 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bob n GLY 340 N 1.56 0.72 3.78 3.03 0.00 -0.68 -5.06 105.19 108.54 3bob n GLY 340 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3bob n GLY 340 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bob s TYR 341 N -2.36 3.87 0.50 1.61 2.02 -1.14 -5.05 117.35 116.80 3bob s TYR 341 Ca 0.00 1.53 -0.17 0.00 -0.37 0.00 0.00 57.07 58.06 3bob s TYR 341 Cb 0.00 -2.71 -0.08 0.00 -0.40 0.00 0.00 41.96 38.76 3bob s TYR 341 CO 0.00 0.50 0.98 -1.25 -1.57 0.00 0.00 175.55 174.22 3bob s PRO 342 N -1.01 3.97 0.42 -1.71 0.04 -1.26 -4.45 135.00 131.00 3bob s PRO 342 Ca 0.34 1.00 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 3bob s PRO 342 Cb -0.22 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 3bob s PRO 342 CO 0.24 -0.26 0.88 1.03 0.04 0.00 0.00 177.00 178.93 3bob s ARG 343 N -3.90 4.02 0.48 4.56 0.52 -1.26 -5.00 118.95 118.37 3bob s ARG 343 Ca 0.60 0.85 -0.23 0.00 -0.52 0.00 0.00 55.73 56.43 3bob s ARG 343 Cb -0.10 -2.26 -0.07 0.00 0.52 0.00 0.00 34.95 33.04 3bob s ARG 343 CO 0.28 -0.06 1.27 -1.25 0.02 0.00 0.00 175.30 175.57 3bob s PRO 344 N -3.51 3.58 -0.41 3.54 0.04 -1.26 -4.82 135.00 132.16 3bob s PRO 344 Ca 0.57 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.66 3bob s PRO 344 Cb -0.10 -2.44 0.39 0.00 0.04 0.00 0.00 34.50 32.39 3bob s PRO 344 CO 0.22 -0.78 1.87 1.04 0.04 0.00 0.00 177.00 179.40 3bob n GLN 345 N -0.53 2.07 -3.53 4.56 6.02 0.47 -4.87 117.38 121.56 3bob n GLN 345 Ca 0.07 -2.26 -0.11 0.00 -0.01 0.00 0.00 57.00 54.70 3bob n GLN 345 Cb 0.46 -1.89 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 3bob n GLN 345 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3bob s PHE 346 N -2.57 -0.45 0.59 1.08 -0.12 -1.26 -4.78 117.98 110.48 3bob s PHE 346 Ca 0.44 0.17 0.10 0.00 -0.05 0.00 0.00 56.93 57.59 3bob s PHE 346 Cb 0.35 0.60 0.09 0.00 -0.63 0.00 0.00 43.02 43.43 3bob s PHE 346 CO 0.03 -0.95 0.79 0.16 -0.05 0.00 0.00 175.22 175.21 3bob s ASP 347 N -2.79 5.01 0.22 1.98 1.47 -1.26 -4.90 116.67 116.40 3bob s ASP 347 Ca 0.04 -0.92 -0.08 0.00 1.18 0.00 0.00 52.55 52.76 3bob s ASP 347 Cb -0.02 0.42 0.25 0.00 -0.34 0.00 0.00 42.92 43.23 3bob s ASP 347 CO -0.08 -1.40 1.84 0.00 0.68 0.00 0.00 175.17 176.22 3bob h ALA 348 N 0.16 1.01 -0.33 2.11 0.00 -1.97 -0.72 119.26 119.52 3bob h ALA 348 Ca -0.29 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 3bob h ALA 348 Cb 1.29 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3bob h ALA 348 CO 0.41 0.21 -0.40 -0.44 0.00 0.00 0.00 179.25 179.03 3bob h ASP 349 N 0.87 0.92 -0.74 0.00 3.32 -1.96 -2.32 116.42 116.51 3bob h ASP 349 Ca 0.32 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3bob h ASP 349 Cb 0.11 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3bob h ASP 349 CO -0.15 1.22 0.31 1.56 -1.72 0.00 0.00 179.24 180.46 3bob h GLN 350 N 0.63 1.10 -0.19 3.56 4.20 -1.87 -0.59 115.11 121.95 3bob h GLN 350 Ca 0.04 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3bob h GLN 350 Cb 0.99 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3bob h GLN 350 CO 0.10 0.90 0.07 0.78 -0.67 0.00 0.00 178.83 180.00 3bob h GLY 351 N 1.06 0.30 0.94 3.46 0.00 -1.08 -1.75 103.07 106.00 3bob h GLY 351 Ca 0.25 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.43 3bob h GLY 351 CO -0.02 0.15 0.26 0.00 0.00 0.00 0.00 176.54 176.93 3bob h ALA 352 N 0.91 0.53 -0.72 3.60 0.00 -1.24 -1.33 119.26 121.02 3bob h ALA 352 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3bob h ALA 352 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3bob h ALA 352 CO -0.00 -0.06 0.41 -0.91 0.00 0.00 0.00 179.25 178.69 3bob h ASN 353 N 0.52 0.88 -0.38 0.00 2.35 -0.98 -0.61 115.58 117.37 3bob h ASN 353 Ca 0.16 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3bob h ASN 353 Cb -0.02 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3bob h ASN 353 CO -0.06 0.69 0.02 0.00 -1.65 0.00 0.00 177.43 176.44 3bob h ALA 354 N 1.45 0.50 -0.39 -0.83 0.00 -0.87 0.10 119.26 119.23 3bob h ALA 354 Ca 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3bob h ALA 354 Cb -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3bob h ALA 354 CO -0.04 0.25 0.20 0.28 0.00 0.00 0.00 179.25 179.94 3bob h VAL 355 N 0.48 1.16 -0.38 0.00 2.07 -0.82 -0.65 116.25 118.10 3bob h VAL 355 Ca 0.11 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3bob h VAL 355 Cb 0.43 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3bob h VAL 355 CO 0.01 0.17 0.22 0.50 0.02 0.00 0.00 177.57 178.49 3bob h LYS 356 N 0.49 0.53 -0.20 1.57 3.64 -1.00 0.90 116.57 122.50 3bob h LYS 356 Ca 0.13 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3bob h LYS 356 Cb 0.08 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3bob h LYS 356 CO -0.02 0.42 0.12 -0.44 -2.27 0.00 0.00 179.45 177.26 3bob h ASP 357 N 0.49 0.23 -0.18 4.20 3.32 -0.45 -1.39 116.42 122.64 3bob h ASP 357 Ca 0.14 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3bob h ASP 357 Cb 0.04 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3bob h ASP 357 CO -0.02 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.68 3bob n ALA 358 N -2.51 2.50 0.00 3.45 0.00 -0.28 -4.89 120.51 118.78 3bob n ALA 358 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3bob n ALA 358 Cb 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3bob n ALA 358 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bob n GLY 359 N 0.94 0.67 3.95 0.00 0.00 -0.52 -4.64 105.19 105.59 3bob n GLY 359 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3bob n GLY 359 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bob s GLY 360 N -1.32 1.78 -0.02 -0.02 0.00 0.26 -4.88 107.32 103.12 3bob s GLY 360 Ca 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 44.72 43.35 3bob s GLY 360 CO 0.00 -0.68 -0.08 -0.42 0.00 0.00 0.00 173.10 171.92 3bob s ILE 361 N -3.66 3.57 -0.24 0.90 -1.09 0.39 -4.36 121.20 116.72 3bob s ILE 361 Ca 0.72 -0.70 -0.07 0.00 -2.23 0.00 0.00 60.65 58.37 3bob s ILE 361 Cb -0.04 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.31 3bob s ILE 361 CO 0.50 0.47 0.05 -0.63 -1.23 0.00 0.00 174.94 174.10 3bob s ILE 362 N -0.91 4.16 0.09 2.92 -1.09 -1.26 -2.67 121.20 122.44 3bob s ILE 362 Ca 0.15 -0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.31 3bob s ILE 362 Cb -0.11 -2.93 -0.05 0.00 -1.58 0.00 0.00 42.46 37.79 3bob s ILE 362 CO 0.05 0.37 0.29 -0.70 -1.23 0.00 0.00 174.94 173.72 3bob s GLU 363 N 1.45 3.54 -0.10 2.79 2.12 -0.63 -5.01 118.70 122.86 3bob s GLU 363 Ca 0.05 -0.24 -0.01 0.00 0.36 0.00 0.00 54.97 55.14 3bob s GLU 363 Cb -0.15 -2.95 0.03 0.00 0.26 0.00 0.00 34.13 31.32 3bob s GLU 363 CO 0.02 0.55 -0.03 -1.64 -0.54 0.00 0.00 175.26 173.62 3bob s MET 364 N -2.49 1.05 0.62 4.30 -1.94 -1.26 -1.37 119.30 118.21 3bob s MET 364 Ca 0.37 -0.12 -0.07 0.00 -1.71 0.00 0.00 55.69 54.16 3bob s MET 364 Cb -0.13 -1.37 0.01 0.00 2.01 0.00 0.00 34.83 35.35 3bob s MET 364 CO 0.25 -0.32 0.95 -1.01 -0.01 0.00 0.00 175.02 174.88 3bob s HIS 365 N 1.83 3.28 0.14 -0.03 3.76 -0.37 -1.43 115.29 122.47 3bob s HIS 365 Ca 0.04 0.75 0.02 0.00 -0.15 0.00 0.00 55.06 55.73 3bob s HIS 365 Cb -0.13 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.71 3bob s HIS 365 CO -0.07 -0.90 -0.04 -3.38 -0.85 0.00 0.00 174.74 169.51 3bob s HIS 366 N -3.08 1.06 0.00 1.40 -3.43 -0.56 -1.50 115.29 109.19 3bob s HIS 366 Ca 0.55 -0.96 0.00 0.00 -0.80 0.00 0.00 55.06 53.85 3bob s HIS 366 Cb -0.11 -0.60 0.00 0.00 -1.43 0.00 0.00 32.58 30.44 3bob s HIS 366 CO 0.47 -0.17 0.00 0.41 -2.00 0.00 0.00 174.74 173.45 3bob n GLY 367 N -0.15 -2.03 3.84 -1.38 0.00 -1.26 -4.22 105.19 99.98 3bob n GLY 367 Ca -0.09 -1.41 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 3bob n GLY 367 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bob s SER 368 N -3.80 5.57 -0.01 1.61 0.01 -1.26 -4.96 113.70 110.86 3bob s SER 368 Ca 0.00 -0.24 -0.30 0.00 1.31 0.00 0.00 55.95 56.72 3bob s SER 368 Cb 0.00 -1.42 -0.04 0.00 0.21 0.00 0.00 66.02 64.77 3bob s SER 368 CO 0.00 -0.06 1.13 -1.00 0.41 0.00 0.00 173.24 173.73 3bob s HIS 369 N -2.13 3.41 0.00 2.43 0.09 -1.26 -4.87 115.29 112.96 3bob s HIS 369 Ca 0.33 1.38 0.15 0.00 -0.00 0.00 0.00 55.06 56.93 3bob s HIS 369 Cb -0.08 -3.33 0.25 0.00 -0.00 0.00 0.00 32.58 29.42 3bob s HIS 369 CO 0.25 -0.92 1.09 0.25 -0.00 0.00 0.00 174.74 175.42 3bob n THR 370 N 4.22 0.00 -1.68 1.30 -2.24 -1.26 -5.10 114.28 109.52 3bob n THR 370 Ca 0.09 -0.58 -0.45 0.00 -2.27 0.00 0.00 64.05 60.84 3bob n THR 370 Cb 0.47 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.46 3bob n THR 370 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bob n GLU 371 N 0.29 2.25 0.00 -0.78 4.71 -1.26 -4.36 120.64 121.49 3bob n GLU 371 Ca 0.03 0.81 0.08 0.00 -0.01 0.00 0.00 57.16 58.07 3bob n GLU 371 Cb 0.96 -2.57 -0.04 0.00 -1.01 0.00 0.00 31.44 28.78 3bob n GLU 371 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3bob n LYS 372 N 3.11 1.67 -3.59 3.49 5.02 -0.39 -4.60 118.16 122.87 3bob n LYS 372 Ca 0.15 -0.46 -0.06 0.00 -2.02 0.00 0.00 58.31 55.93 3bob n LYS 372 Cb 0.31 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 3bob n LYS 372 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3bob s VAL 373 N -2.22 0.00 -0.17 -0.18 0.11 -1.26 -4.96 120.40 111.73 3bob s VAL 373 Ca 0.10 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 3bob s VAL 373 Cb 0.13 -1.35 0.01 0.00 -1.53 0.00 0.00 36.38 33.63 3bob s VAL 373 CO 0.53 0.00 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.43 3bob s VAL 374 N -3.01 2.31 -0.20 2.04 1.01 -0.40 -0.87 120.40 121.28 3bob s VAL 374 Ca 0.08 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 3bob s VAL 374 Cb -0.01 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 3bob s VAL 374 CO -0.05 0.53 0.11 -0.31 0.00 0.00 0.00 175.10 175.37 3bob s TYR 375 N 1.06 3.32 -0.41 5.22 2.02 0.18 -0.63 117.35 128.11 3bob s TYR 375 Ca -0.01 0.18 -0.06 0.00 -0.37 0.00 0.00 57.07 56.81 3bob s TYR 375 Cb -0.14 -2.15 0.09 0.00 -0.40 0.00 0.00 41.96 39.36 3bob s TYR 375 CO -0.06 0.18 0.22 0.42 -1.57 0.00 0.00 175.55 174.74 3bob s ILE 376 N 0.53 3.78 -0.19 2.71 1.01 0.05 -0.73 121.20 128.36 3bob s ILE 376 Ca 0.06 -1.66 -0.22 0.00 0.00 0.00 0.00 60.65 58.82 3bob s ILE 376 Cb -0.12 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3bob s ILE 376 CO 0.00 -0.56 0.69 0.21 0.00 0.00 0.00 174.94 175.29 3bob s ASN 377 N 2.00 6.77 0.00 3.58 2.47 0.22 -0.90 114.94 129.08 3bob s ASN 377 Ca 0.04 0.94 0.15 0.00 0.42 0.00 0.00 52.86 54.42 3bob s ASN 377 Cb -0.23 -2.38 0.32 0.00 -1.45 0.00 0.00 41.25 37.51 3bob s ASN 377 CO -0.01 -0.31 1.23 0.18 -3.72 0.00 0.00 177.10 174.48 3bob n LEU 378 N 5.07 2.96 -4.57 3.21 4.77 -0.59 -1.35 117.00 126.49 3bob n LEU 378 Ca 0.00 -1.64 -0.43 0.00 -0.03 0.00 0.00 56.01 53.91 3bob n LEU 378 Cb 0.49 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3bob n LEU 378 CO 0.45 0.68 0.86 -0.76 -1.33 0.00 0.00 177.39 177.29 3bob s LEU 379 N -1.12 3.86 0.31 2.23 1.02 -1.26 -4.72 118.68 119.01 3bob s LEU 379 Ca 0.28 0.19 -0.29 0.00 0.02 0.00 0.00 54.13 54.33 3bob s LEU 379 Cb 0.16 -3.28 -0.13 0.00 0.02 0.00 0.00 46.19 42.96 3bob s LEU 379 CO 0.22 -1.16 1.33 0.00 0.02 0.00 0.00 176.35 176.76 3bob n ALA 380 N 7.49 1.29 -1.80 4.21 0.00 -1.26 -2.37 120.51 128.06 3bob n ALA 380 Ca 0.08 0.37 -0.19 0.00 0.00 0.00 0.00 53.44 53.70 3bob n ALA 380 Cb 0.49 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.61 3bob n ALA 380 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bob n ASN 381 N 1.17 -5.34 -4.30 0.00 3.02 -1.26 -4.99 115.26 103.56 3bob n ASN 381 Ca 0.07 0.32 -0.17 0.00 -0.03 0.00 0.00 54.58 54.77 3bob n ASN 381 Cb 0.35 -4.47 -0.10 0.00 -0.61 0.00 0.00 39.78 34.95 3bob n ASN 381 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3bob s LYS 382 N -4.02 1.21 0.33 3.52 -0.14 -1.00 -1.16 119.74 118.49 3bob s LYS 382 Ca 0.00 -1.53 -0.07 0.00 -1.36 0.00 0.00 55.97 53.01 3bob s LYS 382 Cb 0.00 -0.91 0.01 0.00 -1.68 0.00 0.00 37.83 35.26 3bob s LYS 382 CO 0.00 0.14 0.54 -0.08 -0.76 0.00 0.00 175.35 175.19 3bob s THR 383 N -3.12 0.00 0.07 2.17 -1.32 0.23 -4.82 115.64 108.85 3bob s THR 383 Ca 0.20 -1.44 0.08 0.00 -1.21 0.00 0.00 61.69 59.32 3bob s THR 383 Cb 0.01 -2.61 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 3bob s THR 383 CO 0.04 0.00 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.47 3bob s LEU 384 N -3.16 2.22 0.20 9.08 1.43 -1.26 -1.24 118.68 125.96 3bob s LEU 384 Ca 0.26 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 3bob s LEU 384 Cb -0.01 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 3bob s LEU 384 CO 0.16 0.14 0.17 -1.61 0.23 0.00 0.00 176.35 175.44 3bob s GLU 385 N -1.49 2.93 0.45 1.70 0.41 -1.26 -4.96 118.70 116.48 3bob s GLU 385 Ca 0.08 -0.94 -0.24 0.00 -0.41 0.00 0.00 54.97 53.46 3bob s GLU 385 Cb -0.09 -2.62 -0.07 0.00 -1.78 0.00 0.00 34.13 29.56 3bob s GLU 385 CO 0.03 0.45 1.27 -2.14 -0.49 0.00 0.00 175.26 174.38 3bob s PRO 386 N -3.44 3.71 -0.36 0.39 0.02 -1.26 -5.01 135.00 129.06 3bob s PRO 386 Ca 0.32 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.39 3bob s PRO 386 Cb -0.09 -2.53 0.11 0.00 0.02 0.00 0.00 34.50 32.01 3bob s PRO 386 CO 0.24 -0.67 0.14 1.21 -0.33 0.00 0.00 177.00 177.59 3bob s ASN 387 N -1.00 3.99 0.62 2.53 3.84 -1.26 -5.00 114.94 118.67 3bob s ASN 387 Ca 0.62 -2.05 0.36 0.00 0.21 0.00 0.00 52.86 52.00 3bob s ASN 387 Cb -0.35 -1.02 1.94 0.00 -0.55 0.00 0.00 41.25 41.27 3bob s ASN 387 CO 0.44 -0.36 2.09 1.05 -2.79 0.00 0.00 177.10 177.53 3bob h GLU 388 N 7.56 0.00 -0.01 0.43 4.11 -1.88 -1.70 114.58 123.09 3bob h GLU 388 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3bob h GLU 388 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3bob h GLU 388 CO 0.48 0.00 -0.59 0.09 0.07 0.00 0.00 179.01 179.06 3bob n ASN 389 N -2.88 1.31 -2.85 3.06 5.03 -1.26 -4.50 115.26 113.17 3bob n ASN 389 Ca -0.02 -1.06 -0.09 0.00 0.87 0.00 0.00 54.58 54.28 3bob n ASN 389 Cb 0.19 0.53 0.00 0.00 -1.02 0.00 0.00 39.78 39.49 3bob n ASN 389 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3bob n ASP 390 N -0.79 -2.75 -4.78 6.41 2.03 -0.69 -5.15 116.55 110.83 3bob n ASP 390 Ca 0.08 -2.96 -0.34 0.00 0.52 0.00 0.00 54.79 52.09 3bob n ASP 390 Cb 0.39 1.38 -0.00 0.00 -0.72 0.00 0.00 41.12 42.16 3bob n ASP 390 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3bob s GLN 391 N 0.61 3.40 -0.06 -0.67 -0.21 -0.92 -4.54 119.66 117.25 3bob s GLN 391 Ca 0.31 1.49 -0.20 0.00 0.02 0.00 0.00 55.36 56.98 3bob s GLN 391 Cb 0.08 -2.02 0.04 0.00 1.00 0.00 0.00 33.01 32.11 3bob s GLN 391 CO -0.13 -0.79 0.46 -0.98 -2.12 0.00 0.00 175.29 171.74 3bob s ARG 392 N -3.43 0.77 0.15 2.91 3.03 -1.26 -1.27 118.95 119.85 3bob s ARG 392 Ca 0.70 0.14 -0.25 0.00 2.03 0.00 0.00 55.73 58.35 3bob s ARG 392 Cb -0.21 0.36 -0.08 0.00 -1.03 0.00 0.00 34.95 33.99 3bob s ARG 392 CO 0.28 -0.20 0.76 -0.06 -1.13 0.00 0.00 175.30 174.94 3bob s PHE 393 N -0.94 3.89 -0.10 5.89 0.08 -0.05 -3.88 117.98 122.86 3bob s PHE 393 Ca -0.10 1.59 0.02 0.00 0.12 0.00 0.00 56.93 58.56 3bob s PHE 393 Cb -0.03 -2.75 0.01 0.00 -0.57 0.00 0.00 43.02 39.69 3bob s PHE 393 CO 0.05 0.51 -0.15 0.42 -0.10 0.00 0.00 175.22 175.95 3bob s ILE 394 N -1.08 1.47 -0.16 0.64 -1.09 -1.02 -0.65 121.20 119.31 3bob s ILE 394 Ca 0.35 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 3bob s ILE 394 Cb -0.23 -1.34 0.02 0.00 -1.58 0.00 0.00 42.46 39.34 3bob s ILE 394 CO 0.25 0.43 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.55 3bob s VAL 395 N 0.91 1.72 -0.91 2.92 1.01 0.09 -4.22 120.40 121.92 3bob s VAL 395 Ca -0.08 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 3bob s VAL 395 Cb -0.15 -1.60 0.13 0.00 0.00 0.00 0.00 36.38 34.76 3bob s VAL 395 CO -0.00 0.46 1.10 -1.81 0.00 0.00 0.00 175.10 174.85 3bob s ASP 396 N 1.42 6.62 0.41 3.32 1.01 -0.32 -0.61 116.67 128.51 3bob s ASP 396 Ca 0.05 -2.04 0.08 0.00 0.71 0.00 0.00 52.55 51.35 3bob s ASP 396 Cb -0.13 -2.39 0.87 0.00 1.01 0.00 0.00 42.92 42.28 3bob s ASP 396 CO -0.11 -1.05 2.02 1.23 0.21 0.00 0.00 175.17 177.47 3bob h GLY 397 N 10.28 0.65 2.00 0.21 0.00 -1.51 -1.17 103.07 113.53 3bob h GLY 397 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3bob h GLY 397 CO 1.09 0.19 -0.06 0.11 0.00 0.00 0.00 176.54 177.87 3bob h TRP 398 N 0.57 0.00 0.00 5.60 5.08 -1.84 -1.95 115.95 123.40 3bob h TRP 398 Ca 0.21 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.12 3bob h TRP 398 Cb 0.14 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.29 3bob h TRP 398 CO -0.00 0.06 -0.31 0.00 -1.28 0.00 0.00 178.44 176.91 3bob h ALA 399 N 1.94 1.00 -0.29 0.11 0.00 -1.54 -2.45 119.26 118.03 3bob h ALA 399 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3bob h ALA 399 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3bob h ALA 399 CO 0.01 0.39 0.03 0.00 0.00 0.00 0.00 179.25 179.68 3bob h ALA 400 N 1.69 0.38 -0.92 0.00 0.00 -1.44 -2.48 119.26 116.49 3bob h ALA 400 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3bob h ALA 400 Cb 0.85 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3bob h ALA 400 CO 0.04 0.09 0.56 -0.44 0.00 0.00 0.00 179.25 179.50 3bob h ASP 401 N 0.29 1.09 -0.75 0.00 3.32 -1.58 -1.87 116.42 116.93 3bob h ASP 401 Ca 0.08 -0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.16 3bob h ASP 401 Cb 0.37 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3bob h ASP 401 CO 0.01 0.83 0.49 0.50 -1.72 0.00 0.00 179.24 179.35 3bob h LYS 402 N 1.26 0.69 -0.64 3.56 3.64 -1.07 -1.47 116.57 122.54 3bob h LYS 402 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3bob h LYS 402 Cb -0.07 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3bob h LYS 402 CO -0.06 0.46 0.00 1.19 -2.27 0.00 0.00 179.45 178.76 3bob n PHE 403 N -4.49 1.43 -2.54 1.91 3.72 -0.81 -4.93 117.46 111.75 3bob n PHE 403 Ca 0.12 -0.53 -0.21 0.00 -0.05 0.00 0.00 57.45 56.77 3bob n PHE 403 Cb 0.29 -0.30 -0.00 0.00 -0.94 0.00 0.00 39.48 38.53 3bob n PHE 403 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bob n GLY 404 N 0.81 -0.51 3.84 1.37 0.00 -0.55 -4.98 105.19 105.18 3bob n GLY 404 Ca 0.22 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3bob n GLY 404 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bob s LEU 405 N -6.18 2.64 -0.72 0.99 1.43 -0.77 -4.94 118.68 111.13 3bob s LEU 405 Ca 0.07 1.14 -0.27 0.00 -1.03 0.00 0.00 54.13 54.04 3bob s LEU 405 Cb -0.03 -3.78 0.03 0.00 0.03 0.00 0.00 46.19 42.44 3bob s LEU 405 CO 0.08 -1.79 1.30 -0.62 0.23 0.00 0.00 176.35 175.55 3bob s ASP 406 N -4.17 6.15 0.12 2.29 -1.08 -1.26 -4.79 116.67 113.93 3bob s ASP 406 Ca 0.60 -0.38 -0.19 0.00 -0.52 0.00 0.00 52.55 52.07 3bob s ASP 406 Cb -0.13 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.73 3bob s ASP 406 CO 0.53 -1.83 1.73 0.58 0.52 0.00 0.00 175.17 176.69 3bob h VAL 407 N 6.07 1.12 -0.40 1.11 2.07 -1.92 0.14 116.25 124.44 3bob h VAL 407 Ca -0.28 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3bob h VAL 407 Cb 1.05 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3bob h VAL 407 CO 1.27 0.11 0.11 -0.65 0.02 0.00 0.00 177.57 178.44 3bob h PRO 408 N 0.32 0.25 -0.57 1.57 0.11 -2.00 0.17 132.00 131.86 3bob h PRO 408 Ca 0.09 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.25 3bob h PRO 408 Cb 0.05 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.05 3bob h PRO 408 CO -0.02 0.16 0.28 -0.22 -0.21 0.00 0.00 178.00 178.00 3bob h LYS 409 N 0.26 0.52 -0.10 1.05 3.64 -1.90 -1.39 116.57 118.64 3bob h LYS 409 Ca 0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3bob h LYS 409 Cb 0.20 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3bob h LYS 409 CO -0.22 0.34 0.06 0.35 -2.27 0.00 0.00 179.45 177.71 3bob h PHE 410 N 0.53 0.13 -0.38 1.91 3.57 -0.08 -0.43 116.94 122.19 3bob h PHE 410 Ca 0.26 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 3bob h PHE 410 Cb 0.19 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3bob h PHE 410 CO -0.11 0.10 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.90 3bob h LEU 411 N 0.11 0.66 -0.53 0.59 3.38 -0.74 -1.14 115.31 117.63 3bob h LEU 411 Ca 0.04 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3bob h LEU 411 Cb 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3bob h LEU 411 CO -0.01 0.80 -0.13 0.40 0.09 0.00 0.00 178.44 179.59 3bob h ILE 412 N 0.61 1.27 -0.46 1.22 2.04 -1.12 -0.29 117.51 120.79 3bob h ILE 412 Ca 0.11 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 3bob h ILE 412 Cb 0.55 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3bob h ILE 412 CO 0.03 0.46 0.10 0.00 0.00 0.00 0.00 178.15 178.74 3bob h ALA 413 N 0.91 1.32 -0.54 1.87 0.00 -0.73 0.11 119.26 122.20 3bob h ALA 413 Ca 0.13 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3bob h ALA 413 Cb 0.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3bob h ALA 413 CO 0.05 0.48 -0.11 0.00 0.00 0.00 0.00 179.25 179.68 3bob h ALA 414 N 1.44 0.74 -0.16 0.00 0.00 -0.76 -0.81 119.26 119.72 3bob h ALA 414 Ca 0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3bob h ALA 414 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3bob h ALA 414 CO -0.00 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.95 3bob h ALA 415 N 0.92 0.21 -0.49 0.00 0.00 -0.35 -2.26 119.26 117.29 3bob h ALA 415 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3bob h ALA 415 Cb 0.68 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3bob h ALA 415 CO 0.05 -0.18 0.25 0.00 0.00 0.00 0.00 179.25 179.37 3bob h ALA 416 N 0.87 1.53 0.49 0.00 0.00 -0.70 -0.71 119.26 120.74 3bob h ALA 416 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3bob h ALA 416 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3bob h ALA 416 CO -0.00 0.39 -0.23 1.15 0.00 0.00 0.00 179.25 180.55 3bob h THR 417 N 0.68 0.52 -0.74 0.00 2.02 -0.86 0.11 112.91 114.64 3bob h THR 417 Ca 0.17 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.33 3bob h THR 417 Cb 0.04 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 3bob h THR 417 CO -0.03 0.01 0.44 0.58 0.37 0.00 0.00 175.52 176.90 3bob h VAL 418 N -0.70 1.01 0.32 3.16 2.07 -1.03 -0.82 116.25 120.26 3bob h VAL 418 Ca -0.07 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3bob h VAL 418 Cb 0.53 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3bob h VAL 418 CO 0.11 0.15 -0.24 -0.33 0.02 0.00 0.00 177.57 177.27 3bob h GLU 419 N 0.81 -0.55 0.00 1.57 5.08 -0.90 -0.46 114.58 120.14 3bob h GLU 419 Ca 0.32 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3bob h GLU 419 Cb 0.16 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3bob h GLU 419 CO -0.17 -0.36 0.00 0.52 -1.00 0.00 0.00 179.01 178.00 3bob h MET 420 N -0.57 0.00 -0.01 2.33 2.86 -0.42 -1.16 114.93 117.96 3bob h MET 420 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3bob h MET 420 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3bob h MET 420 CO -0.00 0.00 -0.04 1.28 1.06 0.00 0.00 176.91 179.21 3bob n LEU 421 N -2.89 1.17 0.00 1.22 4.77 -0.34 -4.91 117.00 116.02 3bob n LEU 421 Ca 0.00 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3bob n LEU 421 Cb 0.24 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3bob n LEU 421 CO 0.24 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3bob n GLY 422 N 1.18 0.41 3.55 -0.72 0.00 -0.44 -5.02 105.19 104.15 3bob n GLY 422 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3bob n GLY 422 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bob s GLY 423 N -2.00 1.56 -0.04 -0.02 0.00 -0.21 -4.97 107.32 101.65 3bob s GLY 423 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 3bob s GLY 423 CO 0.00 -0.04 0.95 2.56 0.00 0.00 0.00 173.10 176.58 3bob s PRO 424 N -5.37 4.51 -1.41 2.90 0.04 -1.26 -4.71 135.00 129.69 3bob s PRO 424 Ca 0.71 1.35 -0.09 0.00 0.04 0.00 0.00 61.00 63.01 3bob s PRO 424 Cb -0.10 -3.48 0.07 0.00 0.04 0.00 0.00 34.50 31.03 3bob s PRO 424 CO 0.56 -0.11 2.40 1.63 0.04 0.00 0.00 177.00 181.52 3bob n LYS 425 N 4.19 3.92 -3.65 4.56 5.02 -1.26 -4.66 118.16 126.29 3bob n LYS 425 Ca 0.06 -3.05 -0.25 0.00 -2.02 0.00 0.00 58.31 53.05 3bob n LYS 425 Cb 0.50 -2.83 -0.17 0.00 -0.02 0.00 0.00 35.03 32.52 3bob n LYS 425 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3bob s ASN 426 N 1.30 2.24 0.08 4.39 3.84 -1.26 -1.41 114.94 124.13 3bob s ASN 426 Ca 0.54 -0.53 0.09 0.00 0.21 0.00 0.00 52.86 53.17 3bob s ASN 426 Cb 0.16 -0.30 -0.03 0.00 -0.55 0.00 0.00 41.25 40.53 3bob s ASN 426 CO -0.06 -0.32 -0.23 0.00 -2.79 0.00 0.00 177.10 173.70 3bob s ALA 427 N 2.09 2.45 -0.14 1.71 0.00 -0.19 -1.27 121.76 126.41 3bob s ALA 427 Ca 0.02 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.68 3bob s ALA 427 Cb -0.15 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3bob s ALA 427 CO -0.08 0.56 -0.15 0.15 0.00 0.00 0.00 175.76 176.24 3bob s LYS 428 N -1.66 2.33 -0.37 0.00 1.02 0.20 -1.34 119.74 119.92 3bob s LYS 428 Ca 0.14 -0.58 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 3bob s LYS 428 Cb -0.10 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 3bob s LYS 428 CO 0.05 -0.16 0.24 0.42 -0.92 0.00 0.00 175.35 174.97 3bob s ILE 429 N 1.27 4.91 -0.24 2.17 1.01 0.23 -0.77 121.20 129.79 3bob s ILE 429 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 60.65 59.79 3bob s ILE 429 Cb -0.14 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 3bob s ILE 429 CO -0.07 -0.19 0.71 -0.69 0.00 0.00 0.00 174.94 174.70 3bob s VAL 430 N 1.63 4.93 0.17 2.92 1.01 -0.08 -0.69 120.40 130.29 3bob s VAL 430 Ca 0.04 1.32 0.10 0.00 0.00 0.00 0.00 61.98 63.45 3bob s VAL 430 Cb -0.19 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3bob s VAL 430 CO 0.08 -0.00 -0.20 0.54 0.00 0.00 0.00 175.10 175.52 3bob s VAL 431 N 2.55 2.60 -2.00 2.92 0.11 -0.70 -1.55 120.40 124.33 3bob s VAL 431 Ca 0.30 -1.81 0.27 0.00 -2.93 0.00 0.00 61.98 57.81 3bob s VAL 431 Cb -0.15 -2.23 0.78 0.00 -1.53 0.00 0.00 36.38 33.24 3bob s VAL 431 CO 0.08 -0.04 1.97 -0.81 -3.33 0.00 0.00 175.10 172.98