#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kke n GLN 251 N 0.00 0.51 -3.81 3.49 1.13 -1.26 -5.18 117.38 112.27 1kke n GLN 251 Ca 0.00 -2.98 -0.12 0.00 -1.94 0.00 0.00 57.00 51.95 1kke n GLN 251 Cb 0.00 1.95 -0.11 0.00 0.11 0.00 0.00 30.24 32.19 1kke n GLN 251 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1kke s SER 252 N -3.14 -0.18 0.11 1.08 1.04 -1.26 -5.16 113.70 106.20 1kke s SER 252 Ca 0.25 0.29 0.08 0.00 0.48 0.00 0.00 55.95 57.04 1kke s SER 252 Cb 0.01 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1kke s SER 252 CO 0.18 -0.16 -0.19 -0.31 0.98 0.00 0.00 173.24 173.74 1kke s TYR 253 N -0.28 1.67 0.24 5.02 1.51 -1.26 -2.88 117.35 121.36 1kke s TYR 253 Ca -0.04 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 1kke s TYR 253 Cb -0.03 -0.90 -0.09 0.00 -0.11 0.00 0.00 41.96 40.83 1kke s TYR 253 CO 0.01 0.20 1.19 0.08 -1.11 0.00 0.00 175.55 175.92 1kke s VAL 254 N -1.39 3.39 -0.05 0.71 1.01 -0.40 -4.83 120.40 118.84 1kke s VAL 254 Ca 0.07 1.26 0.27 0.00 0.00 0.00 0.00 61.98 63.58 1kke s VAL 254 Cb -0.09 -3.80 0.28 0.00 0.00 0.00 0.00 36.38 32.77 1kke s VAL 254 CO 0.04 0.24 1.84 0.00 0.00 0.00 0.00 175.10 177.22 1kke h ALA 255 N 4.55 1.00 0.00 5.51 0.00 -2.00 -3.04 119.26 125.28 1kke h ALA 255 Ca -0.46 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1kke h ALA 255 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1kke h ALA 255 CO 0.71 0.00 -0.23 0.77 0.00 0.00 0.00 179.25 180.51 1kke h SER 256 N 0.00 0.00 -3.62 0.00 0.02 -1.96 -3.40 113.55 104.59 1kke h SER 256 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1kke h SER 256 Cb 0.08 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.39 1kke h SER 256 CO 0.00 0.23 -0.53 0.00 -1.14 0.00 0.00 176.83 175.39 1kke s ALA 257 N -4.21 3.30 0.21 3.77 0.00 -1.15 -5.06 121.76 118.61 1kke s ALA 257 Ca -0.03 -1.54 -0.30 0.00 0.00 0.00 0.00 51.96 50.10 1kke s ALA 257 Cb 0.14 -2.50 -0.08 0.00 0.00 0.00 0.00 23.12 20.67 1kke s ALA 257 CO 0.65 -1.12 0.98 0.08 0.00 0.00 0.00 175.76 176.35 1kke s VAL 258 N 1.60 4.10 0.69 0.00 1.01 -1.26 -4.49 120.40 122.04 1kke s VAL 258 Ca 0.04 1.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.84 1kke s VAL 258 Cb -0.18 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1kke s VAL 258 CO 0.07 0.42 0.96 0.35 0.00 0.00 0.00 175.10 176.90 1kke n THR 259 N 1.85 3.12 0.65 3.92 -2.24 -1.26 -1.40 114.28 118.93 1kke n THR 259 Ca -0.00 -0.41 0.05 0.00 -2.27 0.00 0.00 64.05 61.42 1kke n THR 259 Cb 0.47 -1.11 0.32 0.00 -2.10 0.00 0.00 70.33 67.90 1kke n THR 259 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1kke n PRO 260 N -1.62 0.31 -2.85 -0.78 -0.04 -1.26 -5.05 135.00 123.70 1kke n PRO 260 Ca 0.13 0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 1kke n PRO 260 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1kke n PRO 260 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1kke s LEU 261 N -2.11 3.93 -0.22 1.53 1.43 -0.49 -0.04 118.68 122.69 1kke s LEU 261 Ca 0.15 1.53 -0.10 0.00 -1.03 0.00 0.00 54.13 54.68 1kke s LEU 261 Cb 0.07 -4.38 0.08 0.00 0.03 0.00 0.00 46.19 42.00 1kke s LEU 261 CO 0.13 -0.35 0.51 0.00 0.23 0.00 0.00 176.35 176.87 1kke s ARG 262 N -3.28 0.47 -0.30 1.70 1.70 -0.69 -4.23 118.95 114.32 1kke s ARG 262 Ca 0.59 1.07 -0.11 0.00 -0.47 0.00 0.00 55.73 56.81 1kke s ARG 262 Cb -0.10 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 1kke s ARG 262 CO 0.18 -0.19 0.18 -1.17 -1.08 0.00 0.00 175.30 173.21 1kke s LEU 263 N 2.07 4.10 -0.22 -1.89 2.96 -1.26 -2.09 118.68 122.33 1kke s LEU 263 Ca -0.07 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.26 1kke s LEU 263 Cb -0.09 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1kke s LEU 263 CO -0.15 -0.14 1.47 0.21 -1.32 0.00 0.00 176.35 176.42 1kke s ASN 264 N 1.69 6.58 0.56 3.68 3.84 -0.62 -1.27 114.94 129.39 1kke s ASN 264 Ca 0.06 1.55 0.24 0.00 0.21 0.00 0.00 52.86 54.92 1kke s ASN 264 Cb -0.17 -2.54 1.58 0.00 -0.55 0.00 0.00 41.25 39.58 1kke s ASN 264 CO 0.08 -1.10 2.21 0.77 -2.79 0.00 0.00 177.10 176.27 1kke h SER 265 N 9.81 0.00 0.00 -4.21 4.64 -1.85 0.66 113.55 122.60 1kke h SER 265 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1kke h SER 265 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1kke h SER 265 CO 1.00 0.01 -0.12 0.28 -0.87 0.00 0.00 176.83 177.13 1kke h SER 266 N 0.00 0.00 1.46 4.97 0.02 -1.90 -3.39 113.55 114.70 1kke h SER 266 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kke h SER 266 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1kke h SER 266 CO 0.00 0.38 0.00 0.71 -1.14 0.00 0.00 176.83 176.78 1kke h THR 267 N -0.64 0.00 -3.65 -2.27 1.35 -1.97 -3.47 112.91 102.27 1kke h THR 267 Ca 0.00 -0.61 -0.36 0.00 -0.55 0.00 0.00 66.41 64.88 1kke h THR 267 Cb 0.12 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1kke h THR 267 CO 0.00 0.00 -0.49 0.29 -0.25 0.00 0.00 175.52 175.07 1kke n LYS 268 N -2.66 -2.50 -3.33 4.72 5.02 0.23 -4.96 118.16 114.67 1kke n LYS 268 Ca 0.04 0.84 -0.38 0.00 -2.02 0.00 0.00 58.31 56.79 1kke n LYS 268 Cb 0.41 -5.53 -0.06 0.00 -0.02 0.00 0.00 35.03 29.83 1kke n LYS 268 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kke s VAL 269 N -2.94 5.09 -0.23 -0.18 1.01 -1.25 -4.81 120.40 117.09 1kke s VAL 269 Ca 0.08 0.99 -0.08 0.00 0.00 0.00 0.00 61.98 62.97 1kke s VAL 269 Cb -0.04 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1kke s VAL 269 CO 0.10 0.40 0.08 -0.22 0.00 0.00 0.00 175.10 175.46 1kke s LEU 270 N 0.10 3.62 0.00 3.92 2.96 -1.26 -1.58 118.68 126.43 1kke s LEU 270 Ca 0.26 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1kke s LEU 270 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1kke s LEU 270 CO 0.12 0.02 0.18 -0.90 -1.32 0.00 0.00 176.35 174.46 1kke n ASP 271 N 4.54 0.12 -4.09 3.68 5.75 -0.89 -5.00 116.55 120.66 1kke n ASP 271 Ca -0.16 -2.73 -0.20 0.00 -0.01 0.00 0.00 54.79 51.69 1kke n ASP 271 Cb 0.52 1.13 -0.14 0.00 -1.03 0.00 0.00 41.12 41.59 1kke n ASP 271 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1kke s MET 272 N -3.14 0.89 -0.22 0.11 1.75 -1.26 -1.70 119.30 115.74 1kke s MET 272 Ca 0.26 -0.55 -0.16 0.00 -1.25 0.00 0.00 55.69 53.98 1kke s MET 272 Cb 0.01 -0.86 -0.04 0.00 2.84 0.00 0.00 34.83 36.78 1kke s MET 272 CO 0.18 0.23 0.41 -0.51 -0.65 0.00 0.00 175.02 174.68 1kke s LEU 273 N -0.66 4.13 -0.03 4.11 1.43 0.94 -5.00 118.68 123.59 1kke s LEU 273 Ca 0.02 0.50 0.05 0.00 -1.03 0.00 0.00 54.13 53.67 1kke s LEU 273 Cb -0.06 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 1kke s LEU 273 CO 0.00 -0.12 -0.19 -0.63 0.23 0.00 0.00 176.35 175.65 1kke s ILE 274 N 1.52 1.54 -0.61 -0.59 1.09 -1.26 -4.80 121.20 118.09 1kke s ILE 274 Ca 0.19 -0.80 -0.28 0.00 -1.10 0.00 0.00 60.65 58.66 1kke s ILE 274 Cb -0.15 -1.31 0.02 0.00 -1.06 0.00 0.00 42.46 39.97 1kke s ILE 274 CO 0.08 0.44 1.30 -0.62 -0.10 0.00 0.00 174.94 176.05 1kke s ASP 275 N -0.17 6.25 0.66 3.58 3.68 -1.26 -4.88 116.67 124.53 1kke s ASP 275 Ca 0.00 0.04 0.42 0.00 2.13 0.00 0.00 52.55 55.14 1kke s ASP 275 Cb -0.10 -2.55 2.30 0.00 -1.45 0.00 0.00 42.92 41.12 1kke s ASP 275 CO 0.01 -1.66 2.32 0.77 0.13 0.00 0.00 175.17 176.74 1kke h SER 276 N 10.28 0.00 1.22 -0.34 4.64 -1.99 0.10 113.55 127.47 1kke h SER 276 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1kke h SER 276 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1kke h SER 276 CO 1.21 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.94 1kke h SER 277 N 0.00 0.00 0.00 4.97 4.64 -2.04 -3.33 113.55 117.79 1kke h SER 277 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kke h SER 277 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1kke h SER 277 CO -0.00 0.00 -0.91 1.07 -0.87 0.00 0.00 176.83 176.11 1kke n THR 278 N -2.38 0.00 -4.26 2.95 5.66 -0.56 -4.91 114.28 110.78 1kke n THR 278 Ca 0.04 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.87 1kke n THR 278 Cb 0.36 -0.43 -0.11 0.00 -1.55 0.00 0.00 70.33 68.61 1kke n THR 278 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1kke s LEU 279 N -3.39 2.46 0.27 1.09 1.43 0.25 -1.24 118.68 119.55 1kke s LEU 279 Ca 0.00 -0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 52.10 1kke s LEU 279 Cb 0.00 -0.52 -0.00 0.00 0.03 0.00 0.00 46.19 45.70 1kke s LEU 279 CO 0.00 -0.20 0.46 -1.83 0.23 0.00 0.00 176.35 175.02 1kke s GLU 280 N -3.10 1.62 -0.12 1.70 -1.05 -0.57 -4.02 118.70 113.17 1kke s GLU 280 Ca 0.13 -1.39 0.01 0.00 -0.15 0.00 0.00 54.97 53.57 1kke s GLU 280 Cb -0.02 0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 34.11 1kke s GLU 280 CO 0.03 -0.67 -0.16 0.42 0.95 0.00 0.00 175.26 175.83 1kke s ILE 281 N -3.77 2.77 1.23 1.83 1.01 -1.26 -0.99 121.20 122.02 1kke s ILE 281 Ca 0.25 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 59.99 1kke s ILE 281 Cb -0.00 -2.14 0.31 0.00 0.01 0.00 0.00 42.46 40.64 1kke s ILE 281 CO 0.12 0.54 1.00 0.20 0.00 0.00 0.00 174.94 176.79 1kke s ASN 282 N 0.32 0.46 0.41 3.58 0.02 0.16 -4.86 114.94 115.03 1kke s ASN 282 Ca -0.13 1.43 0.22 0.00 -1.02 0.00 0.00 52.86 53.36 1kke s ASN 282 Cb -0.16 -2.20 0.66 0.00 0.02 0.00 0.00 41.25 39.56 1kke s ASN 282 CO 0.06 -4.51 1.71 0.28 0.02 0.00 0.00 177.10 174.67 1kke h SER 283 N -2.83 0.00 -0.18 -1.22 0.02 -2.00 -1.10 113.55 106.24 1kke h SER 283 Ca -0.61 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1kke h SER 283 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1kke h SER 283 CO 0.48 0.26 0.00 -1.20 -1.14 0.00 0.00 176.83 175.23 1kke n SER 284 N -3.30 1.46 -0.41 3.07 7.64 -1.26 -4.91 113.62 115.90 1kke n SER 284 Ca 0.01 -1.73 -0.05 0.00 1.01 0.00 0.00 58.87 58.10 1kke n SER 284 Cb 0.51 -0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.58 1kke n SER 284 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kke n GLY 285 N 1.06 0.79 3.89 0.23 0.00 -0.41 -5.02 105.19 105.73 1kke n GLY 285 Ca 0.15 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1kke n GLY 285 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kke s GLN 286 N -2.34 3.62 0.03 1.61 -0.21 -1.26 -4.73 119.66 116.38 1kke s GLN 286 Ca 0.00 -0.07 -0.30 0.00 0.02 0.00 0.00 55.36 55.01 1kke s GLN 286 Cb 0.00 -2.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 1kke s GLN 286 CO 0.00 0.55 1.00 -1.17 -2.12 0.00 0.00 175.29 173.55 1kke s LEU 287 N -2.24 4.40 0.04 2.90 2.96 -1.26 0.40 118.68 125.88 1kke s LEU 287 Ca 0.35 1.73 -0.02 0.00 -0.22 0.00 0.00 54.13 55.97 1kke s LEU 287 Cb -0.13 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1kke s LEU 287 CO 0.21 -0.23 0.01 0.28 -1.32 0.00 0.00 176.35 175.30 1kke s THR 288 N 0.75 0.17 0.22 3.68 -1.32 -0.16 -4.93 115.64 114.05 1kke s THR 288 Ca 0.51 -1.41 -0.25 0.00 -1.21 0.00 0.00 61.69 59.33 1kke s THR 288 Cb -0.22 -1.08 -0.09 0.00 -1.51 0.00 0.00 72.50 69.60 1kke s THR 288 CO 0.29 -0.78 0.84 -0.69 -2.21 0.00 0.00 174.62 172.07 1kke s VAL 289 N -3.06 4.31 -0.09 5.08 1.01 -1.26 -1.51 120.40 124.86 1kke s VAL 289 Ca -0.01 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 1kke s VAL 289 Cb 0.02 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1kke s VAL 289 CO -0.07 0.39 1.34 -0.13 0.00 0.00 0.00 175.10 176.63 1kke s ARG 290 N -1.48 4.26 -0.06 2.72 0.52 -0.37 -4.87 118.95 119.66 1kke s ARG 290 Ca 0.41 1.81 -0.29 0.00 -0.52 0.00 0.00 55.73 57.13 1kke s ARG 290 Cb -0.22 -3.72 -0.06 0.00 0.52 0.00 0.00 34.95 31.47 1kke s ARG 290 CO 0.26 -0.65 1.84 -1.54 0.02 0.00 0.00 175.30 175.22 1kke s SER 291 N 2.07 6.40 -0.02 0.23 1.04 -1.26 -5.00 113.70 117.16 1kke s SER 291 Ca 0.60 2.27 -0.04 0.00 0.48 0.00 0.00 55.95 59.25 1kke s SER 291 Cb -0.26 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.29 1kke s SER 291 CO 0.21 -1.15 0.20 -0.89 0.98 0.00 0.00 173.24 172.58 1kke s THR 292 N 4.88 5.42 -0.28 2.02 2.01 -1.26 -5.08 115.64 123.34 1kke s THR 292 Ca 0.82 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 62.68 1kke s THR 292 Cb -0.36 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1kke s THR 292 CO 0.35 0.37 0.16 -0.55 -0.69 0.00 0.00 174.62 174.26 1kke s SER 293 N -1.77 5.74 0.29 3.53 0.15 -1.26 -5.08 113.70 115.30 1kke s SER 293 Ca 0.26 -0.17 -0.28 0.00 0.70 0.00 0.00 55.95 56.45 1kke s SER 293 Cb -0.13 -2.06 -0.09 0.00 -1.71 0.00 0.00 66.02 62.03 1kke s SER 293 CO 0.16 -0.09 1.02 -2.16 1.20 0.00 0.00 173.24 173.37 1kke s PRO 294 N 1.70 4.63 -0.13 5.44 0.04 -1.26 -5.02 135.00 140.39 1kke s PRO 294 Ca 0.06 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.43 1kke s PRO 294 Cb -0.16 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1kke s PRO 294 CO 0.08 0.27 0.82 -0.80 0.04 0.00 0.00 177.00 177.41 1kke s ASN 295 N -1.20 7.00 -0.10 6.66 -0.87 -1.26 -5.05 114.94 120.13 1kke s ASN 295 Ca 0.46 1.22 0.00 0.00 -1.57 0.00 0.00 52.86 52.98 1kke s ASN 295 Cb -0.26 -2.46 -0.03 0.00 -0.02 0.00 0.00 41.25 38.48 1kke s ASN 295 CO 0.33 -0.33 -0.08 -0.76 -2.57 0.00 0.00 177.10 173.69 1kke s LEU 296 N 1.76 3.04 -0.14 0.60 1.43 -1.26 -5.11 118.68 119.00 1kke s LEU 296 Ca 0.39 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1kke s LEU 296 Cb -0.17 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1kke s LEU 296 CO 0.15 0.28 -0.12 -0.13 0.23 0.00 0.00 176.35 176.76 1kke s ARG 297 N -0.32 3.42 0.33 1.70 1.81 -1.18 -4.91 118.95 119.79 1kke s ARG 297 Ca 0.04 -0.67 -0.27 0.00 -1.72 0.00 0.00 55.73 53.12 1kke s ARG 297 Cb -0.13 -2.67 -0.13 0.00 -0.45 0.00 0.00 34.95 31.57 1kke s ARG 297 CO 0.02 0.20 1.01 0.98 -0.68 0.00 0.00 175.30 176.84 1kke n TYR 298 N 3.57 1.25 0.49 -0.53 9.36 -1.26 -0.64 117.16 129.40 1kke n TYR 298 Ca -0.18 0.66 0.07 0.00 3.32 0.00 0.00 57.90 61.77 1kke n TYR 298 Cb 0.53 -2.25 0.33 0.00 -0.63 0.00 0.00 39.34 37.32 1kke n TYR 298 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1kke n PRO 299 N 0.58 0.02 -2.49 2.98 -0.04 -1.26 -5.05 135.00 129.74 1kke n PRO 299 Ca 0.09 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.39 1kke n PRO 299 Cb 0.34 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.25 1kke n PRO 299 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1kke s ILE 300 N -3.03 4.37 0.32 0.52 -1.09 0.19 0.43 121.20 122.91 1kke s ILE 300 Ca 0.07 1.67 0.03 0.00 -2.23 0.00 0.00 60.65 60.19 1kke s ILE 300 Cb 0.10 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1kke s ILE 300 CO 0.28 -0.09 0.33 0.00 -1.23 0.00 0.00 174.94 174.23 1kke s ALA 301 N 2.92 1.43 -0.18 9.38 0.00 -0.64 -3.12 121.76 131.56 1kke s ALA 301 Ca 0.53 -1.86 -0.27 0.00 0.00 0.00 0.00 51.96 50.36 1kke s ALA 301 Cb -0.21 1.36 -0.01 0.00 0.00 0.00 0.00 23.12 24.26 1kke s ALA 301 CO 0.16 -0.70 0.93 0.34 0.00 0.00 0.00 175.76 176.49 1kke s ASP 302 N -3.31 7.06 -0.51 0.00 -1.08 -1.26 -1.28 116.67 116.29 1kke s ASP 302 Ca 0.37 1.31 0.01 0.00 -0.52 0.00 0.00 52.55 53.72 1kke s ASP 302 Cb 0.02 -2.50 0.13 0.00 -1.46 0.00 0.00 42.92 39.11 1kke s ASP 302 CO 0.24 -0.50 0.28 -0.69 0.52 0.00 0.00 175.17 175.02 1kke s VAL 303 N 2.48 3.00 -1.13 1.11 1.01 0.64 -4.78 120.40 122.74 1kke s VAL 303 Ca 0.42 -2.87 -0.07 0.00 0.00 0.00 0.00 61.98 59.46 1kke s VAL 303 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1kke s VAL 303 CO 0.11 -0.78 0.88 -1.20 0.00 0.00 0.00 175.10 174.12 1kke n SER 304 N 3.62 -4.82 0.00 3.32 7.64 -1.26 -2.19 113.62 119.93 1kke n SER 304 Ca 0.05 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1kke n SER 304 Cb 0.37 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.85 1kke n SER 304 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kke n GLY 305 N -1.34 2.09 3.94 0.23 0.00 -1.26 -4.95 105.19 103.90 1kke n GLY 305 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1kke n GLY 305 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kke s GLY 306 N 0.00 1.66 -0.18 -0.02 0.00 -0.93 -5.06 107.32 102.79 1kke s GLY 306 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 44.72 43.57 1kke s GLY 306 CO 0.00 -0.68 0.53 -0.42 0.00 0.00 0.00 173.10 172.53 1kke s ILE 307 N -2.89 5.11 0.00 0.90 1.01 -1.26 -0.26 121.20 123.81 1kke s ILE 307 Ca 0.54 1.01 0.00 0.00 0.00 0.00 0.00 60.65 62.20 1kke s ILE 307 Cb -0.10 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1kke s ILE 307 CO 0.42 0.20 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1kke n GLY 308 N 3.72 4.34 3.30 6.18 0.00 -0.40 -4.85 105.19 117.48 1kke n GLY 308 Ca -0.05 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 1kke n GLY 308 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1kke s MET 309 N 1.54 3.35 -0.28 1.61 1.75 -1.26 -1.62 119.30 124.39 1kke s MET 309 Ca 0.00 -0.64 -0.40 0.00 -1.25 0.00 0.00 55.69 53.40 1kke s MET 309 Cb 0.00 -2.99 -0.16 0.00 2.84 0.00 0.00 34.83 34.52 1kke s MET 309 CO 0.00 -0.20 1.73 0.45 -0.65 0.00 0.00 175.02 176.35 1kke n SER 310 N 4.79 2.34 0.28 1.11 2.88 0.17 -4.82 113.62 120.37 1kke n SER 310 Ca -0.18 1.08 0.18 0.00 -1.33 0.00 0.00 58.87 58.62 1kke n SER 310 Cb 0.51 -1.13 0.91 0.00 -0.75 0.00 0.00 64.21 63.74 1kke n SER 310 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1kke h PRO 311 N 7.11 0.00 -0.43 -1.46 0.13 -1.95 -1.39 132.00 134.00 1kke h PRO 311 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1kke h PRO 311 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1kke h PRO 311 CO 0.96 0.00 -0.00 -0.91 -0.23 0.00 0.00 178.00 177.82 1kke h ASN 312 N 0.00 0.67 -0.29 1.44 4.21 -1.88 -2.09 115.58 117.65 1kke h ASN 312 Ca 0.04 -0.15 -0.19 0.00 1.21 0.00 0.00 56.30 57.21 1kke h ASN 312 Cb 0.50 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1kke h ASN 312 CO -0.00 0.74 -0.56 0.22 -1.29 0.00 0.00 177.43 176.55 1kke h TYR 313 N 0.66 1.12 -0.44 1.19 3.20 -1.61 -3.28 116.97 117.81 1kke h TYR 313 Ca 0.13 -0.40 -0.09 0.00 3.14 0.00 0.00 58.73 61.51 1kke h TYR 313 Cb 0.42 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1kke h TYR 313 CO 0.02 1.24 -0.08 0.00 -1.64 0.00 0.00 178.16 177.70 1kke h ARG 314 N 0.67 0.83 -2.44 1.82 3.08 -1.44 0.36 114.38 117.26 1kke h ARG 314 Ca 0.01 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.68 1kke h ARG 314 Cb 1.17 -0.05 -0.24 0.00 0.08 0.00 0.00 29.97 30.93 1kke h ARG 314 CO 0.12 0.93 -0.17 0.12 -1.07 0.00 0.00 179.97 179.91 1kke s PHE 315 N -4.84 -0.72 -0.08 3.04 5.36 -0.81 -3.10 117.98 116.83 1kke s PHE 315 Ca -0.12 1.54 -0.08 0.00 -0.96 0.00 0.00 56.93 57.31 1kke s PHE 315 Cb 0.11 0.35 0.02 0.00 -0.34 0.00 0.00 43.02 43.16 1kke s PHE 315 CO 0.83 -0.38 0.22 0.50 -1.46 0.00 0.00 175.22 174.93 1kke s ARG 316 N 1.20 0.26 -0.02 10.12 3.52 -0.16 -4.47 118.95 129.40 1kke s ARG 316 Ca -0.07 0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.85 1kke s ARG 316 Cb -0.06 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1kke s ARG 316 CO -0.12 -0.03 -0.09 -1.14 -0.81 0.00 0.00 175.30 173.12 1kke s GLN 317 N 0.11 0.88 0.00 5.12 0.74 -1.26 -1.08 119.66 124.17 1kke s GLN 317 Ca -0.00 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.12 1kke s GLN 317 Cb -0.02 -0.83 0.00 0.00 1.10 0.00 0.00 33.01 33.26 1kke s GLN 317 CO 0.00 0.12 0.00 0.45 -0.55 0.00 0.00 175.29 175.31 1kke n SER 318 N 3.22 0.00 -3.65 6.67 2.88 -0.55 -5.00 113.62 117.19 1kke n SER 318 Ca -0.17 -0.87 -0.11 0.00 -1.33 0.00 0.00 58.87 56.39 1kke n SER 318 Cb 0.55 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 1kke n SER 318 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kke s MET 319 N -1.60 1.01 -0.11 -1.46 0.23 -1.26 -0.40 119.30 115.70 1kke s MET 319 Ca 0.00 -0.59 0.03 0.00 -1.03 0.00 0.00 55.69 54.10 1kke s MET 319 Cb 0.00 0.45 0.01 0.00 -1.53 0.00 0.00 34.83 33.75 1kke s MET 319 CO 0.00 -0.38 -0.20 -0.46 -2.03 0.00 0.00 175.02 171.95 1kke s TRP 320 N -3.32 2.38 -0.52 3.16 -0.00 0.17 -1.69 118.94 119.11 1kke s TRP 320 Ca -0.00 -1.08 0.03 0.00 -0.00 0.00 0.00 56.10 55.06 1kke s TRP 320 Cb 0.01 -1.63 0.13 0.00 -0.00 0.00 0.00 33.47 31.98 1kke s TRP 320 CO -0.08 -0.48 0.27 0.42 -0.00 0.00 0.00 176.95 177.07 1kke s ILE 321 N 0.66 2.70 0.00 5.86 1.01 -0.22 -0.97 121.20 130.23 1kke s ILE 321 Ca -0.12 -3.26 0.00 0.00 0.00 0.00 0.00 60.65 57.27 1kke s ILE 321 Cb -0.16 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1kke s ILE 321 CO 0.03 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.78 1kke n GLY 322 N 3.18 4.10 3.68 6.18 0.00 -0.88 -4.09 105.19 117.36 1kke n GLY 322 Ca 0.05 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 1kke n GLY 322 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kke s ILE 323 N -1.88 5.31 -0.20 -0.61 -1.09 -1.26 -0.65 121.20 120.81 1kke s ILE 323 Ca 0.00 0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 58.52 1kke s ILE 323 Cb 0.00 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1kke s ILE 323 CO 0.00 0.40 0.03 -0.69 -1.23 0.00 0.00 174.94 173.45 1kke s VAL 324 N 0.69 4.27 -0.04 2.92 1.01 0.20 -2.35 120.40 127.10 1kke s VAL 324 Ca 0.07 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1kke s VAL 324 Cb -0.12 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 1kke s VAL 324 CO 0.01 0.42 -0.18 -0.94 0.00 0.00 0.00 175.10 174.42 1kke s SER 325 N 0.89 2.24 -0.04 3.32 1.04 -0.24 -0.67 113.70 120.24 1kke s SER 325 Ca 0.02 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.06 1kke s SER 325 Cb -0.14 -0.62 -0.04 0.00 0.10 0.00 0.00 66.02 65.32 1kke s SER 325 CO 0.02 0.16 0.11 -0.47 0.98 0.00 0.00 173.24 174.05 1kke s TYR 326 N 0.02 3.40 -0.13 5.02 5.04 0.53 -0.29 117.35 130.95 1kke s TYR 326 Ca -0.04 0.31 -0.05 0.00 -2.44 0.00 0.00 57.07 54.85 1kke s TYR 326 Cb -0.12 -1.81 0.06 0.00 0.35 0.00 0.00 41.96 40.45 1kke s TYR 326 CO 0.02 0.61 0.28 0.45 -1.34 0.00 0.00 175.55 175.57 1kke s SER 327 N -1.57 0.09 -0.33 4.32 0.15 -0.41 -1.66 113.70 114.29 1kke s SER 327 Ca 0.22 0.63 0.05 0.00 0.70 0.00 0.00 55.95 57.54 1kke s SER 327 Cb -0.12 0.68 0.18 0.00 -1.71 0.00 0.00 66.02 65.05 1kke s SER 327 CO 0.12 -0.22 0.52 -0.83 1.20 0.00 0.00 173.24 174.04 1kke s GLY 328 N 2.08 -0.91 -0.51 9.45 0.00 -0.24 -0.59 107.32 116.60 1kke s GLY 328 Ca -0.02 0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.96 1kke s GLY 328 CO -0.09 3.38 0.42 -1.14 0.00 0.00 0.00 173.10 175.67 1kke n SER 329 N 4.96 -3.36 0.00 1.64 3.41 -1.26 -2.41 113.62 116.60 1kke n SER 329 Ca 0.06 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 1kke n SER 329 Cb 0.52 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1kke n SER 329 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kke n GLY 330 N -1.03 2.56 3.76 5.00 0.00 -1.26 -5.04 105.19 109.17 1kke n GLY 330 Ca -0.19 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1kke n GLY 330 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kke s LEU 331 N 0.00 4.35 -0.28 0.99 1.43 -1.01 -5.00 118.68 119.16 1kke s LEU 331 Ca 0.00 2.88 -0.14 0.00 -1.03 0.00 0.00 54.13 55.84 1kke s LEU 331 Cb 0.00 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.68 1kke s LEU 331 CO 0.00 -0.83 0.67 0.21 0.23 0.00 0.00 176.35 176.63 1kke s ASN 332 N 0.27 -1.00 0.18 2.29 3.04 -1.26 -1.07 114.94 117.39 1kke s ASN 332 Ca 0.59 1.53 -0.24 0.00 0.04 0.00 0.00 52.86 54.78 1kke s ASN 332 Cb -0.46 1.66 0.05 0.00 -1.54 0.00 0.00 41.25 40.97 1kke s ASN 332 CO 0.50 -0.23 0.89 -1.66 -3.04 0.00 0.00 177.10 173.56 1kke s TRP 333 N 2.03 -0.16 0.06 0.43 1.48 -0.66 -5.00 118.94 117.12 1kke s TRP 333 Ca -0.09 -0.18 -0.08 0.00 -1.06 0.00 0.00 56.10 54.69 1kke s TRP 333 Cb -0.07 0.65 -0.00 0.00 -1.16 0.00 0.00 33.47 32.89 1kke s TRP 333 CO -0.20 -0.93 0.17 -0.98 -4.06 0.00 0.00 176.95 170.96 1kke s ARG 334 N -3.45 0.75 -0.00 3.25 1.70 -1.26 -0.35 118.95 119.59 1kke s ARG 334 Ca 0.11 -0.84 -0.04 0.00 -0.47 0.00 0.00 55.73 54.49 1kke s ARG 334 Cb -0.03 0.30 -0.00 0.00 -0.57 0.00 0.00 34.95 34.66 1kke s ARG 334 CO 0.03 -0.22 0.08 0.08 -1.08 0.00 0.00 175.30 174.19 1kke s VAL 335 N -3.30 0.07 0.00 4.99 1.01 0.15 -4.99 120.40 118.33 1kke s VAL 335 Ca 0.01 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1kke s VAL 335 Cb 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 36.04 1kke s VAL 335 CO -0.08 -0.30 0.52 -1.58 0.00 0.00 0.00 175.10 173.66 1kke s GLN 336 N -0.99 4.19 0.05 2.72 0.74 -1.26 -0.63 119.66 124.48 1kke s GLN 336 Ca -0.11 0.61 0.03 0.00 0.05 0.00 0.00 55.36 55.94 1kke s GLN 336 Cb -0.06 -3.29 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 1kke s GLN 336 CO 0.00 0.50 -0.09 0.08 -0.55 0.00 0.00 175.29 175.23 1kke s VAL 337 N -0.57 0.66 -0.31 1.34 1.01 0.17 -4.95 120.40 117.75 1kke s VAL 337 Ca 0.28 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 1kke s VAL 337 Cb -0.18 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 35.52 1kke s VAL 337 CO 0.16 -0.38 0.00 0.20 0.00 0.00 0.00 175.10 175.09 1kke s ASN 338 N -1.68 4.82 0.04 3.32 0.02 -1.26 -2.07 114.94 118.13 1kke s ASN 338 Ca -0.07 -1.48 0.07 0.00 -1.02 0.00 0.00 52.86 50.35 1kke s ASN 338 Cb -0.09 -1.68 -0.02 0.00 0.02 0.00 0.00 41.25 39.47 1kke s ASN 338 CO 0.01 -0.29 -0.19 -0.94 0.02 0.00 0.00 177.10 175.71 1kke s SER 339 N 1.25 2.23 0.36 -1.22 1.04 -0.15 -4.47 113.70 112.74 1kke s SER 339 Ca -0.03 -0.51 -0.23 0.00 0.48 0.00 0.00 55.95 55.67 1kke s SER 339 Cb -0.20 -0.17 -0.10 0.00 0.10 0.00 0.00 66.02 65.64 1kke s SER 339 CO -0.03 0.12 0.92 -1.81 0.98 0.00 0.00 173.24 173.42 1kke s ASP 340 N -1.18 7.11 -0.09 7.02 1.01 -1.18 -0.66 116.67 128.69 1kke s ASP 340 Ca 0.06 1.71 0.04 0.00 0.71 0.00 0.00 52.55 55.07 1kke s ASP 340 Cb -0.09 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1kke s ASP 340 CO 0.02 -0.20 -0.22 -0.63 0.21 0.00 0.00 175.17 174.35 1kke s ILE 341 N -1.88 1.90 -0.12 0.77 1.01 0.46 -0.89 121.20 122.45 1kke s ILE 341 Ca 0.55 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1kke s ILE 341 Cb -0.14 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.71 1kke s ILE 341 CO 0.18 0.53 -0.11 -0.36 0.00 0.00 0.00 174.94 175.18 1kke s PHE 342 N 0.29 1.78 -0.32 3.97 0.40 -0.07 -1.49 117.98 122.54 1kke s PHE 342 Ca -0.15 -0.92 -0.08 0.00 -0.60 0.00 0.00 56.93 55.17 1kke s PHE 342 Cb -0.17 -1.38 0.02 0.00 0.51 0.00 0.00 43.02 42.00 1kke s PHE 342 CO 0.07 -0.55 0.12 0.42 0.70 0.00 0.00 175.22 175.98 1kke s ILE 343 N 1.50 4.12 -0.16 0.64 1.01 -0.24 0.35 121.20 128.41 1kke s ILE 343 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1kke s ILE 343 Cb -0.13 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.16 1kke s ILE 343 CO -0.08 -0.06 -0.10 -0.69 0.00 0.00 0.00 174.94 174.02 1kke s VAL 344 N 1.50 1.36 0.00 2.92 1.01 -0.49 -0.99 120.40 125.71 1kke s VAL 344 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1kke s VAL 344 Cb -0.18 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1kke s VAL 344 CO 0.04 0.28 0.00 0.47 0.00 0.00 0.00 175.10 175.89 1kke n ASP 345 N 4.81 0.00 -1.76 3.32 8.00 0.11 -1.73 116.55 129.31 1kke n ASP 345 Ca -0.14 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.22 1kke n ASP 345 Cb 0.49 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.71 1kke n ASP 345 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1kke n ASP 346 N 3.11 3.53 -4.27 -2.24 8.00 -1.26 -4.87 116.55 118.55 1kke n ASP 346 Ca 0.00 -3.00 -0.24 0.00 0.71 0.00 0.00 54.79 52.27 1kke n ASP 346 Cb 0.00 -0.71 -0.13 0.00 -0.02 0.00 0.00 41.12 40.26 1kke n ASP 346 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1kke s TYR 347 N -2.12 1.76 -0.03 1.24 1.51 -0.70 -0.77 117.35 118.24 1kke s TYR 347 Ca 0.36 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 56.09 1kke s TYR 347 Cb 0.30 -0.99 -0.02 0.00 -0.11 0.00 0.00 41.96 41.15 1kke s TYR 347 CO 0.07 0.17 -0.24 -1.50 -1.11 0.00 0.00 175.55 172.94 1kke s ILE 348 N -1.08 2.20 -0.16 2.71 2.07 -0.74 -1.40 121.20 124.81 1kke s ILE 348 Ca 0.06 -1.04 0.00 0.00 -1.41 0.00 0.00 60.65 58.26 1kke s ILE 348 Cb -0.10 -1.78 0.03 0.00 0.13 0.00 0.00 42.46 40.75 1kke s ILE 348 CO 0.04 0.58 -0.10 -1.00 -1.91 0.00 0.00 174.94 172.55 1kke s HIS 349 N -0.53 2.04 -0.44 3.50 3.76 0.15 -2.51 115.29 121.26 1kke s HIS 349 Ca 0.07 -1.24 -0.15 0.00 -0.15 0.00 0.00 55.06 53.59 1kke s HIS 349 Cb -0.11 -1.49 0.05 0.00 1.11 0.00 0.00 32.58 32.14 1kke s HIS 349 CO 0.00 -0.66 0.34 0.42 -0.85 0.00 0.00 174.74 173.99 1kke s ILE 350 N 1.53 5.20 -0.95 0.60 1.09 0.49 -0.89 121.20 128.26 1kke s ILE 350 Ca 0.02 -0.88 -0.18 0.00 -1.10 0.00 0.00 60.65 58.52 1kke s ILE 350 Cb -0.15 -4.00 0.15 0.00 -1.06 0.00 0.00 42.46 37.40 1kke s ILE 350 CO -0.09 -0.44 1.12 0.00 -0.10 0.00 0.00 174.94 175.43 1kke s LEU 352 N 2.23 4.54 0.64 0.00 1.43 0.77 -3.13 118.68 125.16 1kke s LEU 352 Ca 0.32 2.21 -0.04 0.00 -1.03 0.00 0.00 54.13 55.59 1kke s LEU 352 Cb -0.05 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.59 1kke s LEU 352 CO -0.08 -0.15 0.92 -2.16 0.23 0.00 0.00 176.35 175.11 1kke s PRO 353 N -1.14 2.39 0.39 1.29 0.04 -1.26 -1.54 135.00 135.17 1kke s PRO 353 Ca 0.46 -0.41 -0.26 0.00 0.04 0.00 0.00 61.00 60.83 1kke s PRO 353 Cb -0.31 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.85 1kke s PRO 353 CO 0.39 -1.00 1.22 0.00 0.04 0.00 0.00 177.00 177.65 1kke s ALA 354 N -3.05 3.21 0.17 8.56 0.00 -1.26 -4.37 121.76 125.02 1kke s ALA 354 Ca 0.58 1.07 -0.10 0.00 0.00 0.00 0.00 51.96 53.51 1kke s ALA 354 Cb -0.11 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 1kke s ALA 354 CO 0.43 -0.63 0.32 -0.59 0.00 0.00 0.00 175.76 175.29 1kke s PHE 355 N -1.34 0.33 -0.13 0.00 -0.12 -0.84 -4.90 117.98 110.98 1kke s PHE 355 Ca 0.56 -0.69 -0.04 0.00 -0.05 0.00 0.00 56.93 56.71 1kke s PHE 355 Cb -0.34 0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 1kke s PHE 355 CO 0.43 -0.76 0.00 -0.51 -0.05 0.00 0.00 175.22 174.33 1kke s ASP 356 N -2.96 5.18 0.00 1.98 1.01 -1.26 -0.58 116.67 120.04 1kke s ASP 356 Ca 0.17 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.46 1kke s ASP 356 Cb 0.03 -1.70 0.00 0.00 1.01 0.00 0.00 42.92 42.26 1kke s ASP 356 CO 0.00 0.26 0.00 0.61 0.21 0.00 0.00 175.17 176.25 1kke n GLY 357 N 2.94 5.69 0.00 0.21 0.00 0.25 -4.94 105.19 109.34 1kke n GLY 357 Ca -0.18 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1kke n GLY 357 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kke n PHE 358 N 0.00 0.00 -1.78 1.61 3.01 -1.26 -1.76 117.46 117.28 1kke n PHE 358 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 1kke n PHE 358 Cb 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.53 1kke n PHE 358 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1kke s SER 359 N 0.31 4.83 0.04 4.37 0.01 -1.06 -3.60 113.70 118.59 1kke s SER 359 Ca 0.00 2.64 0.03 0.00 1.31 0.00 0.00 55.95 59.93 1kke s SER 359 Cb 0.00 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1kke s SER 359 CO 0.00 -1.86 -0.11 0.27 0.41 0.00 0.00 173.24 171.96 1kke s ILE 360 N -1.39 0.80 0.75 1.44 -4.36 -1.26 -4.84 121.20 112.34 1kke s ILE 360 Ca 0.79 -0.98 -0.04 0.00 -0.26 0.00 0.00 60.65 60.16 1kke s ILE 360 Cb -0.38 -0.78 0.13 0.00 1.25 0.00 0.00 42.46 42.68 1kke s ILE 360 CO 0.41 -0.17 1.04 0.00 0.24 0.00 0.00 174.94 176.46 1kke s ALA 361 N -1.03 3.39 0.30 2.27 0.00 -1.26 -4.98 121.76 120.45 1kke s ALA 361 Ca -0.03 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 1kke s ALA 361 Cb -0.08 -2.21 0.45 0.00 0.00 0.00 0.00 23.12 21.28 1kke s ALA 361 CO 0.01 -1.58 1.91 -0.44 0.00 0.00 0.00 175.76 175.66 1kke h ASP 362 N -0.70 0.84 -3.79 0.00 3.32 -1.94 -3.41 116.42 110.74 1kke h ASP 362 Ca -0.39 -0.08 -0.48 0.00 0.02 0.00 0.00 57.03 56.11 1kke h ASP 362 Cb 1.27 -0.21 -0.31 0.00 0.22 0.00 0.00 39.33 40.29 1kke h ASP 362 CO 0.42 0.70 -0.80 -0.83 -1.72 0.00 0.00 179.24 177.01 1kke s GLY 363 N -3.47 0.67 0.31 2.75 0.00 -1.26 -2.56 107.32 103.76 1kke s GLY 363 Ca -0.11 -0.44 -0.18 0.00 0.00 0.00 0.00 44.72 43.99 1kke s GLY 363 CO 0.79 -0.13 0.87 -0.32 0.00 0.00 0.00 173.10 174.32 1kke s GLY 364 N 0.22 0.24 -0.01 0.20 0.00 -0.04 -4.56 107.32 103.37 1kke s GLY 364 Ca -0.05 -0.57 0.07 0.00 0.00 0.00 0.00 44.72 44.18 1kke s GLY 364 CO 0.01 0.61 -0.22 0.99 0.00 0.00 0.00 173.10 174.49 1kke s ASP 365 N -3.17 2.62 -0.25 1.64 1.01 0.24 -1.17 116.67 117.59 1kke s ASP 365 Ca 0.17 -0.42 -0.02 0.00 0.71 0.00 0.00 52.55 52.99 1kke s ASP 365 Cb -0.04 -0.29 0.02 0.00 1.01 0.00 0.00 42.92 43.63 1kke s ASP 365 CO 0.09 0.27 -0.05 -0.22 0.21 0.00 0.00 175.17 175.47 1kke s LEU 366 N -0.59 3.22 -0.16 1.23 2.96 0.69 -1.29 118.68 124.74 1kke s LEU 366 Ca 0.09 -0.83 -0.05 0.00 -0.22 0.00 0.00 54.13 53.12 1kke s LEU 366 Cb -0.09 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1kke s LEU 366 CO -0.01 -0.13 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.45 1kke s SER 367 N 1.35 5.01 -0.29 3.68 0.01 0.60 -0.28 113.70 123.78 1kke s SER 367 Ca 0.01 -0.08 -0.11 0.00 1.31 0.00 0.00 55.95 57.08 1kke s SER 367 Cb -0.16 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1kke s SER 367 CO -0.04 0.17 0.18 -0.76 0.41 0.00 0.00 173.24 173.19 1kke s LEU 368 N 0.39 4.01 -0.63 2.44 1.43 0.16 -1.08 118.68 125.40 1kke s LEU 368 Ca -0.02 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 52.74 1kke s LEU 368 Cb -0.14 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.07 1kke s LEU 368 CO 0.02 -0.08 0.87 0.21 0.23 0.00 0.00 176.35 177.60 1kke s ASN 369 N 1.73 6.19 0.00 2.29 2.47 -0.99 -1.26 114.94 125.36 1kke s ASN 369 Ca 0.07 -1.09 0.28 0.00 0.42 0.00 0.00 52.86 52.53 1kke s ASN 369 Cb -0.16 -2.38 1.00 0.00 -1.45 0.00 0.00 41.25 38.26 1kke s ASN 369 CO 0.10 -1.31 1.72 0.49 -3.72 0.00 0.00 177.10 174.37 1kke n PHE 370 N 7.22 0.00 0.51 0.43 0.99 0.28 -3.76 117.46 123.13 1kke n PHE 370 Ca -0.05 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.50 1kke n PHE 370 Cb 0.45 -0.06 0.42 0.00 -1.00 0.00 0.00 39.48 39.29 1kke n PHE 370 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1kke n VAL 371 N -0.27 0.81 -3.86 -4.37 0.31 -1.19 -4.37 118.33 105.38 1kke n VAL 371 Ca 0.16 0.17 -0.11 0.00 -0.01 0.00 0.00 64.34 64.55 1kke n VAL 371 Cb 0.33 -0.99 -0.11 0.00 -0.91 0.00 0.00 33.84 32.17 1kke n VAL 371 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1kke s THR 372 N -3.14 0.05 0.00 2.52 2.01 -1.25 -4.91 115.64 110.93 1kke s THR 372 Ca 0.07 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1kke s THR 372 Cb 0.10 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.29 1kke s THR 372 CO 0.37 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 1kke n GLY 373 N 2.09 0.63 3.71 4.40 0.00 -1.26 -4.63 105.19 110.12 1kke n GLY 373 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1kke n GLY 373 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kke s LEU 374 N 0.00 4.37 0.15 0.99 2.96 -1.26 -1.06 118.68 124.84 1kke s LEU 374 Ca 0.00 1.88 -0.23 0.00 -0.22 0.00 0.00 54.13 55.56 1kke s LEU 374 Cb 0.00 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.04 1kke s LEU 374 CO 0.00 -0.39 0.72 -0.76 -1.32 0.00 0.00 176.35 174.60 1kke s LEU 375 N 1.05 4.53 0.81 -0.68 1.02 -0.68 -4.94 118.68 119.78 1kke s LEU 375 Ca 0.56 1.51 -0.13 0.00 0.02 0.00 0.00 54.13 56.09 1kke s LEU 375 Cb -0.26 -3.25 0.08 0.00 0.02 0.00 0.00 46.19 42.78 1kke s LEU 375 CO 0.29 0.19 1.20 -2.84 0.02 0.00 0.00 176.35 175.21 1kke s PRO 376 N -1.30 1.65 0.43 1.29 0.02 -1.26 -2.28 135.00 133.55 1kke s PRO 376 Ca 0.35 1.74 0.30 0.00 0.02 0.00 0.00 61.00 63.41 1kke s PRO 376 Cb -0.21 -1.78 1.21 0.00 0.02 0.00 0.00 34.50 33.74 1kke s PRO 376 CO 0.23 -2.20 1.87 -1.00 -0.33 0.00 0.00 177.00 175.57 1kke h PRO 377 N -0.91 0.00 -6.46 5.54 0.13 -1.97 -3.48 132.00 124.86 1kke h PRO 377 Ca -0.46 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.07 1kke h PRO 377 Cb 1.29 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.57 1kke h PRO 377 CO 0.46 0.00 -0.18 1.28 -0.23 0.00 0.00 178.00 179.33 1kke n LEU 378 N -2.74 1.07 -4.18 1.56 4.77 -0.97 -5.03 117.00 111.48 1kke n LEU 378 Ca 0.01 0.95 -0.15 0.00 -0.03 0.00 0.00 56.01 56.79 1kke n LEU 378 Cb 0.28 -1.21 -0.11 0.00 -2.33 0.00 0.00 43.42 40.05 1kke n LEU 378 CO 0.24 -2.36 -0.42 -0.76 -1.33 0.00 0.00 177.39 172.77 1kke s LEU 379 N 0.77 2.40 0.32 2.23 1.43 -1.26 -4.62 118.68 119.96 1kke s LEU 379 Ca 0.64 -0.81 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1kke s LEU 379 Cb -0.58 -0.33 0.93 0.00 0.03 0.00 0.00 46.19 46.24 1kke s LEU 379 CO 0.57 -0.25 1.62 0.74 0.23 0.00 0.00 176.35 179.26 1kke h THR 380 N 3.56 0.17 -0.09 5.49 2.02 -1.93 0.27 112.91 122.40 1kke h THR 380 Ca -0.38 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 66.78 1kke h THR 380 Cb 1.19 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1kke h THR 380 CO 0.53 0.03 0.08 1.23 0.37 0.00 0.00 175.52 177.75 1kke h GLY 381 N 0.14 0.00 2.00 2.16 0.00 -1.96 -1.76 103.07 103.64 1kke h GLY 381 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1kke h GLY 381 CO -0.74 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.02 1kke n ASP 382 N -4.18 0.24 -0.56 0.19 8.00 0.95 -2.16 116.55 119.03 1kke n ASP 382 Ca -0.01 0.57 0.12 0.00 0.71 0.00 0.00 54.79 56.18 1kke n ASP 382 Cb 0.18 -0.62 0.24 0.00 -0.02 0.00 0.00 41.12 40.91 1kke n ASP 382 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1kke n THR 383 N -1.78 0.00 -1.97 -3.53 -2.24 -0.66 -4.82 114.28 99.28 1kke n THR 383 Ca 0.02 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1kke n THR 383 Cb 0.16 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 1kke n THR 383 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1kke s GLU 384 N -2.24 4.24 0.72 -0.78 2.12 -0.92 -4.91 118.70 116.93 1kke s GLU 384 Ca 0.27 2.33 -0.11 0.00 0.36 0.00 0.00 54.97 57.82 1kke s GLU 384 Cb 0.20 -3.13 0.02 0.00 0.26 0.00 0.00 34.13 31.48 1kke s GLU 384 CO 0.43 -0.51 1.07 -2.14 -0.54 0.00 0.00 175.26 173.57 1kke s PRO 385 N 0.34 2.73 0.49 4.30 0.02 -1.26 -0.33 135.00 141.29 1kke s PRO 385 Ca 0.64 0.81 0.20 0.00 0.02 0.00 0.00 61.00 62.68 1kke s PRO 385 Cb -0.43 -1.98 1.26 0.00 0.02 0.00 0.00 34.50 33.38 1kke s PRO 385 CO 0.38 -1.21 2.06 0.00 -0.33 0.00 0.00 177.00 177.90 1kke h ALA 386 N -0.80 1.56 -0.35 -1.55 0.00 -0.84 -0.18 119.26 117.12 1kke h ALA 386 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1kke h ALA 386 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1kke h ALA 386 CO 0.58 0.16 0.00 1.97 0.00 0.00 0.00 179.25 181.97 1kke n PHE 387 N -4.06 0.89 0.00 0.00 1.16 -1.26 -4.88 117.46 109.30 1kke n PHE 387 Ca -0.02 -0.34 0.00 0.00 -1.87 0.00 0.00 57.45 55.22 1kke n PHE 387 Cb 0.21 -0.19 0.00 0.00 -1.61 0.00 0.00 39.48 37.89 1kke n PHE 387 CO 0.00 0.00 0.00 -2.39 -1.87 0.00 0.00 176.76 172.50 1kke n HIS 388 N 0.47 0.00 -0.35 2.97 1.44 -0.08 -1.75 115.22 117.92 1kke n HIS 388 Ca 0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 1kke n HIS 388 Cb 0.59 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.70 1kke n HIS 388 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1kke n ASN 389 N 0.56 -1.00 -4.77 4.39 6.94 -1.15 -4.94 115.26 115.29 1kke n ASN 389 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.18 1kke n ASN 389 Cb 0.00 -1.58 -0.02 0.00 -2.36 0.00 0.00 39.78 35.83 1kke n ASN 389 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1kke s ASP 390 N -1.07 6.50 -0.20 0.53 -0.00 -0.72 -4.70 116.67 117.01 1kke s ASP 390 Ca 0.00 2.35 -0.27 0.00 -0.00 0.00 0.00 52.55 54.63 1kke s ASP 390 Cb 0.00 -2.61 -0.00 0.00 -0.00 0.00 0.00 42.92 40.30 1kke s ASP 390 CO 0.00 -0.69 0.92 -0.69 -0.00 0.00 0.00 175.17 174.71 1kke s VAL 391 N -1.42 4.79 0.29 -1.27 1.01 -1.26 -4.56 120.40 117.97 1kke s VAL 391 Ca 0.57 1.80 0.03 0.00 0.00 0.00 0.00 61.98 64.38 1kke s VAL 391 Cb -0.31 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 1kke s VAL 391 CO 0.39 -0.07 0.12 1.33 0.00 0.00 0.00 175.10 176.86 1kke n VAL 392 N 5.05 0.00 -3.09 2.92 0.24 0.33 -5.03 118.33 118.75 1kke n VAL 392 Ca 0.08 -1.71 -0.21 0.00 -2.04 0.00 0.00 64.34 60.45 1kke n VAL 392 Cb 0.47 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.45 1kke n VAL 392 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1kke n THR 393 N -0.64 1.08 -3.15 3.34 -1.04 -1.25 -4.23 114.28 108.38 1kke n THR 393 Ca -0.03 -4.96 -0.35 0.00 -2.04 0.00 0.00 64.05 56.66 1kke n THR 393 Cb 0.44 -0.69 -0.06 0.00 -1.82 0.00 0.00 70.33 68.20 1kke n THR 393 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1kke s TYR 394 N -2.84 3.61 -1.56 -1.42 5.04 -0.83 -4.35 117.35 115.00 1kke s TYR 394 Ca 0.43 1.30 -0.13 0.00 -2.44 0.00 0.00 57.07 56.24 1kke s TYR 394 Cb 0.32 -2.56 0.09 0.00 0.35 0.00 0.00 41.96 40.17 1kke s TYR 394 CO -0.10 0.32 0.82 0.41 -1.34 0.00 0.00 175.55 175.66 1kke n GLY 395 N 0.60 -0.43 3.77 8.97 0.00 -1.26 -0.90 105.19 115.95 1kke n GLY 395 Ca -0.02 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1kke n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kke s ALA 396 N -3.41 3.51 0.15 4.61 0.00 -1.26 -4.58 121.76 120.77 1kke s ALA 396 Ca 0.55 1.45 -0.15 0.00 0.00 0.00 0.00 51.96 53.81 1kke s ALA 396 Cb -0.29 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.30 1kke s ALA 396 CO 0.87 -0.93 0.42 1.14 0.00 0.00 0.00 175.76 177.27 1kke s GLN 397 N -2.04 1.18 -0.17 0.00 -2.07 0.26 -4.99 119.66 111.83 1kke s GLN 397 Ca 0.52 -0.83 -0.11 0.00 -1.82 0.00 0.00 55.36 53.13 1kke s GLN 397 Cb -0.44 0.47 -0.05 0.00 -1.09 0.00 0.00 33.01 31.91 1kke s GLN 397 CO 0.59 -0.47 0.20 0.99 -1.32 0.00 0.00 175.29 175.27 1kke s THR 398 N -3.85 5.37 -0.02 3.63 2.01 -1.26 -0.89 115.64 120.63 1kke s THR 398 Ca 0.07 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.44 1kke s THR 398 Cb 0.01 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 1kke s THR 398 CO -0.07 0.46 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.50 1kke s VAL 399 N 0.12 0.99 -0.32 3.82 1.01 0.03 -4.98 120.40 121.08 1kke s VAL 399 Ca 0.13 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1kke s VAL 399 Cb -0.12 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1kke s VAL 399 CO 0.02 0.29 0.21 0.00 0.00 0.00 0.00 175.10 175.62 1kke s ALA 400 N -0.08 3.46 -0.11 5.51 0.00 -1.26 -0.28 121.76 129.01 1kke s ALA 400 Ca 0.01 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 1kke s ALA 400 Cb -0.07 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 1kke s ALA 400 CO 0.00 -0.88 -0.02 0.42 0.00 0.00 0.00 175.76 175.28 1kke s ILE 401 N 1.71 4.13 -0.31 0.00 1.01 -0.09 -4.31 121.20 123.33 1kke s ILE 401 Ca 0.06 -0.30 -0.20 0.00 0.00 0.00 0.00 60.65 60.21 1kke s ILE 401 Cb -0.17 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 1kke s ILE 401 CO 0.10 0.57 0.62 -0.83 0.00 0.00 0.00 174.94 175.40 1kke s GLY 402 N -0.46 1.77 -0.14 6.18 0.00 -0.07 -0.73 107.32 113.88 1kke s GLY 402 Ca 0.08 -0.69 -0.06 0.00 0.00 0.00 0.00 44.72 44.05 1kke s GLY 402 CO 0.02 1.45 0.08 1.08 0.00 0.00 0.00 173.10 175.74 1kke s LEU 403 N 2.61 4.00 0.23 0.66 1.43 0.65 0.75 118.68 129.00 1kke s LEU 403 Ca 0.25 0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 1kke s LEU 403 Cb -0.15 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1kke s LEU 403 CO 0.12 0.30 0.41 -0.94 0.23 0.00 0.00 176.35 176.48 1kke s SER 404 N -0.41 -0.05 -0.11 2.29 1.04 -0.80 -0.40 113.70 115.26 1kke s SER 404 Ca 0.10 -0.99 0.17 0.00 0.48 0.00 0.00 55.95 55.71 1kke s SER 404 Cb -0.12 0.54 0.38 0.00 0.10 0.00 0.00 66.02 66.93 1kke s SER 404 CO 0.02 -1.07 1.18 -1.20 0.98 0.00 0.00 173.24 173.14 1kke n SER 405 N -0.35 1.39 0.00 7.02 7.64 -1.26 -1.03 113.62 127.03 1kke n SER 405 Ca -0.02 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.86 1kke n SER 405 Cb 0.63 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1kke n SER 405 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kke n GLY 406 N -0.47 1.88 0.00 0.23 0.00 -1.26 -4.94 105.19 100.63 1kke n GLY 406 Ca 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1kke n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kke n GLY 407 N 0.00 -0.27 3.72 -0.02 0.00 -1.26 -4.99 105.19 102.37 1kke n GLY 407 Ca 0.00 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1kke n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kke n ALA 408 N -3.00 1.89 -1.53 4.61 0.00 -1.26 -4.86 120.51 116.36 1kke n ALA 408 Ca 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 1kke n ALA 408 Cb 0.00 -2.37 0.04 0.00 0.00 0.00 0.00 19.45 17.12 1kke n ALA 408 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1kke s PRO 409 N -0.80 2.91 -0.15 0.00 0.02 -1.26 -4.82 135.00 130.90 1kke s PRO 409 Ca 0.63 1.24 0.01 0.00 0.02 0.00 0.00 61.00 62.90 1kke s PRO 409 Cb -0.55 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.00 1kke s PRO 409 CO 0.52 -1.14 -0.19 -0.65 -0.33 0.00 0.00 177.00 175.21 1kke s GLN 410 N -4.33 3.09 -0.31 5.54 -0.21 0.46 -4.88 119.66 119.03 1kke s GLN 410 Ca 0.64 -0.81 -0.21 0.00 0.02 0.00 0.00 55.36 54.99 1kke s GLN 410 Cb -0.18 -2.53 -0.01 0.00 1.00 0.00 0.00 33.01 31.30 1kke s GLN 410 CO 0.44 -0.03 0.69 0.71 -2.12 0.00 0.00 175.29 174.97 1kke s TYR 411 N 0.89 3.21 -0.12 0.91 1.51 -1.26 -0.26 117.35 122.24 1kke s TYR 411 Ca -0.05 0.67 -0.06 0.00 -1.01 0.00 0.00 57.07 56.63 1kke s TYR 411 Cb -0.15 -3.07 -0.04 0.00 -0.11 0.00 0.00 41.96 38.59 1kke s TYR 411 CO -0.03 -0.51 0.11 -1.64 -1.11 0.00 0.00 175.55 172.37 1kke s MET 412 N 2.74 3.38 -0.34 -0.62 -1.94 0.09 -4.89 119.30 117.73 1kke s MET 412 Ca 0.28 -0.20 -0.19 0.00 -1.71 0.00 0.00 55.69 53.87 1kke s MET 412 Cb -0.15 -3.11 -0.00 0.00 2.01 0.00 0.00 34.83 33.58 1kke s MET 412 CO 0.12 0.73 0.59 -1.12 -0.01 0.00 0.00 175.02 175.33 1kke s SER 413 N -0.91 6.40 0.18 3.03 0.01 -1.26 -0.92 113.70 120.23 1kke s SER 413 Ca 0.14 0.16 0.09 0.00 1.31 0.00 0.00 55.95 57.65 1kke s SER 413 Cb -0.12 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1kke s SER 413 CO 0.03 -0.52 -0.12 -0.54 0.41 0.00 0.00 173.24 172.50 1kke s LYS 414 N 2.57 1.96 -0.15 12.44 1.02 0.62 -3.81 119.74 134.39 1kke s LYS 414 Ca 0.22 -1.30 -0.16 0.00 0.02 0.00 0.00 55.97 54.76 1kke s LYS 414 Cb -0.15 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1kke s LYS 414 CO 0.13 0.43 0.40 1.21 -0.92 0.00 0.00 175.35 176.61 1kke s ASN 415 N -2.75 6.56 0.00 2.83 2.47 0.98 -0.79 114.94 124.24 1kke s ASN 415 Ca 0.24 0.66 0.04 0.00 0.42 0.00 0.00 52.86 54.21 1kke s ASN 415 Cb -0.09 -2.24 -0.01 0.00 -1.45 0.00 0.00 41.25 37.46 1kke s ASN 415 CO 0.14 0.02 -0.13 -0.22 -3.72 0.00 0.00 177.10 173.19 1kke s LEU 416 N 0.70 2.07 0.15 3.21 0.20 -0.07 -0.84 118.68 124.10 1kke s LEU 416 Ca 0.22 -0.29 -0.21 0.00 0.69 0.00 0.00 54.13 54.54 1kke s LEU 416 Cb -0.14 -0.61 0.06 0.00 -0.43 0.00 0.00 46.19 45.06 1kke s LEU 416 CO 0.08 0.11 0.54 -1.66 -0.29 0.00 0.00 176.35 175.13 1kke s TRP 417 N -0.46 -0.42 -0.20 5.38 -2.14 -0.73 -0.58 118.94 119.79 1kke s TRP 417 Ca 0.04 0.18 -0.29 0.00 2.66 0.00 0.00 56.10 58.68 1kke s TRP 417 Cb -0.06 0.47 -0.01 0.00 -3.10 0.00 0.00 33.47 30.77 1kke s TRP 417 CO 0.00 -0.81 1.21 0.08 -2.66 0.00 0.00 176.95 174.77 1kke s VAL 418 N -3.77 4.37 -0.27 -0.66 1.01 -0.08 -0.62 120.40 120.39 1kke s VAL 418 Ca 0.02 1.65 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 1kke s VAL 418 Cb -0.00 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 1kke s VAL 418 CO -0.12 -0.18 -0.27 1.21 0.00 0.00 0.00 175.10 175.73 1kke n GLU 419 N 6.61 0.60 -3.54 2.72 2.13 -0.50 -1.97 120.64 126.69 1kke n GLU 419 Ca 0.13 0.28 -0.12 0.00 0.66 0.00 0.00 57.16 58.11 1kke n GLU 419 Cb 0.45 -1.52 -0.04 0.00 0.27 0.00 0.00 31.44 30.59 1kke n GLU 419 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1kke s GLN 420 N -2.50 0.81 -0.16 5.31 0.74 -1.06 -0.51 119.66 122.30 1kke s GLN 420 Ca -0.37 0.04 0.01 0.00 0.05 0.00 0.00 55.36 55.09 1kke s GLN 420 Cb 0.13 0.38 0.01 0.00 1.10 0.00 0.00 33.01 34.63 1kke s GLN 420 CO 0.52 -0.29 -0.20 -0.46 -0.55 0.00 0.00 175.29 174.32 1kke s TRP 421 N -1.73 2.74 -0.07 1.67 -0.00 -1.26 -0.08 118.94 120.20 1kke s TRP 421 Ca -0.03 -1.40 -0.02 0.00 -0.00 0.00 0.00 56.10 54.66 1kke s TRP 421 Cb -0.00 -1.87 0.03 0.00 -0.00 0.00 0.00 33.47 31.62 1kke s TRP 421 CO 0.01 -0.66 0.02 -1.14 -0.00 0.00 0.00 176.95 175.17 1kke s GLN 422 N 1.01 0.46 -1.62 5.86 0.74 -0.17 -2.92 119.66 123.01 1kke s GLN 422 Ca -0.02 0.13 -0.10 0.00 0.05 0.00 0.00 55.36 55.42 1kke s GLN 422 Cb -0.15 -0.95 0.09 0.00 1.10 0.00 0.00 33.01 33.10 1kke s GLN 422 CO -0.06 -0.33 0.47 -0.25 -0.55 0.00 0.00 175.29 174.57 1kke n ASP 423 N 5.18 -1.25 0.00 6.67 8.00 -1.26 -1.03 116.55 132.86 1kke n ASP 423 Ca -0.06 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1kke n ASP 423 Cb 0.50 -2.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.22 1kke n ASP 423 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kke n GLY 424 N -1.78 0.74 3.12 0.44 0.00 -1.26 -4.84 105.19 101.61 1kke n GLY 424 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1kke n GLY 424 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kke s VAL 425 N -2.52 2.09 -0.27 1.61 1.01 -0.20 -0.56 120.40 121.56 1kke s VAL 425 Ca 0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 1kke s VAL 425 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1kke s VAL 425 CO 0.00 0.51 0.57 -0.22 0.00 0.00 0.00 175.10 175.96 1kke s LEU 426 N 1.28 4.08 -0.24 3.92 2.96 -0.39 -1.00 118.68 129.29 1kke s LEU 426 Ca 0.04 0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 54.39 1kke s LEU 426 Cb -0.13 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 1kke s LEU 426 CO -0.12 -0.36 0.16 -0.60 -1.32 0.00 0.00 176.35 174.11 1kke s ARG 427 N 2.43 4.03 -0.12 1.98 3.52 0.88 -0.66 118.95 131.01 1kke s ARG 427 Ca 0.23 -0.29 -0.01 0.00 -0.13 0.00 0.00 55.73 55.53 1kke s ARG 427 Cb -0.15 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 1kke s ARG 427 CO 0.10 0.02 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.03 1kke s LEU 428 N 1.16 3.11 -0.04 -0.88 1.43 0.61 -1.41 118.68 122.66 1kke s LEU 428 Ca 0.07 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 52.85 1kke s LEU 428 Cb -0.14 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 1kke s LEU 428 CO 0.05 0.23 0.53 -0.60 0.23 0.00 0.00 176.35 176.79 1kke s ARG 429 N -0.03 4.26 -0.13 1.70 6.06 0.21 -0.22 118.95 130.79 1kke s ARG 429 Ca -0.00 0.59 -0.00 0.00 -2.50 0.00 0.00 55.73 53.81 1kke s ARG 429 Cb -0.13 -3.36 0.03 0.00 0.06 0.00 0.00 34.95 31.55 1kke s ARG 429 CO 0.03 0.35 -0.07 0.08 -2.50 0.00 0.00 175.30 173.18 1kke s VAL 430 N -0.05 1.10 0.28 7.11 1.01 -0.32 -1.78 120.40 127.76 1kke s VAL 430 Ca 0.28 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.64 1kke s VAL 430 Cb -0.17 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.10 1kke s VAL 430 CO 0.14 0.30 0.86 -1.83 0.00 0.00 0.00 175.10 174.57 1kke s GLU 431 N 1.66 1.78 0.08 2.72 -1.05 -0.02 -0.86 118.70 123.01 1kke s GLU 431 Ca 0.04 -1.10 0.00 0.00 -0.15 0.00 0.00 54.97 53.76 1kke s GLU 431 Cb -0.13 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 1kke s GLU 431 CO -0.08 -0.83 0.00 0.41 0.95 0.00 0.00 175.26 175.71 1kke n GLY 432 N -0.55 -1.64 1.96 -3.83 0.00 -1.06 -0.02 105.19 100.05 1kke n GLY 432 Ca -0.06 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1kke n GLY 432 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kke n GLY 433 N -2.09 1.32 0.63 -0.02 0.00 -1.25 -4.44 105.19 99.34 1kke n GLY 433 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1kke n GLY 433 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kke n GLY 434 N -2.00 -2.69 3.38 -0.02 0.00 -1.26 -4.61 105.19 97.98 1kke n GLY 434 Ca 0.00 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 1kke n GLY 434 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kke s SER 435 N -5.64 1.71 0.10 1.61 0.01 -1.26 -4.93 113.70 105.30 1kke s SER 435 Ca 0.00 -1.40 -0.03 0.00 1.31 0.00 0.00 55.95 55.82 1kke s SER 435 Cb 0.00 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 1kke s SER 435 CO 0.00 -0.70 0.08 0.27 0.41 0.00 0.00 173.24 173.30 1kke s ILE 436 N -3.56 0.14 0.11 1.44 -4.36 -1.26 -5.13 121.20 108.59 1kke s ILE 436 Ca 0.37 -1.68 -0.31 0.00 -0.26 0.00 0.00 60.65 58.76 1kke s ILE 436 Cb 0.08 -1.73 -0.07 0.00 1.25 0.00 0.00 42.46 41.99 1kke s ILE 436 CO 0.15 -0.65 1.31 -0.89 0.24 0.00 0.00 174.94 175.09 1kke s THR 437 N -3.96 3.56 0.24 8.37 2.01 -1.26 -4.98 115.64 119.62 1kke s THR 437 Ca 0.14 1.14 -0.22 0.00 0.31 0.00 0.00 61.69 63.06 1kke s THR 437 Cb 0.07 -3.73 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1kke s THR 437 CO -0.04 0.10 0.78 -1.38 -0.69 0.00 0.00 174.62 173.39 1kke s HIS 438 N 0.95 -0.18 0.00 4.92 -0.00 -1.26 -4.76 115.29 114.95 1kke s HIS 438 Ca 0.61 -0.23 0.00 0.00 -0.00 0.00 0.00 55.06 55.44 1kke s HIS 438 Cb -0.34 0.69 0.00 0.00 -0.00 0.00 0.00 32.58 32.93 1kke s HIS 438 CO 0.31 -1.12 0.00 -1.13 -0.00 0.00 0.00 174.74 172.80 1kke n SER 439 N -0.46 2.20 -4.26 7.38 3.41 -0.20 -4.73 113.62 116.96 1kke n SER 439 Ca -0.05 -0.07 -0.15 0.00 -0.26 0.00 0.00 58.87 58.34 1kke n SER 439 Cb 0.60 0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 65.02 1kke n SER 439 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1kke s ASN 440 N -1.02 1.92 -0.04 4.04 0.01 -0.70 -2.56 114.94 116.59 1kke s ASN 440 Ca 0.00 -1.00 -0.03 0.00 -0.71 0.00 0.00 52.86 51.12 1kke s ASN 440 Cb 0.00 -0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.64 1kke s ASN 440 CO 0.00 -0.29 0.10 -0.94 -1.51 0.00 0.00 177.10 174.46 1kke s SER 441 N -3.14 -0.10 -0.44 -1.22 1.04 -0.72 -1.91 113.70 107.21 1kke s SER 441 Ca 0.17 0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 1kke s SER 441 Cb 0.01 0.19 0.09 0.00 0.10 0.00 0.00 66.02 66.41 1kke s SER 441 CO 0.02 -0.06 0.30 -0.54 0.98 0.00 0.00 173.24 173.94 1kke s LYS 442 N 0.29 2.64 0.02 4.02 -0.14 0.23 -0.58 119.74 126.23 1kke s LYS 442 Ca -0.02 -1.50 -0.20 0.00 -1.36 0.00 0.00 55.97 52.89 1kke s LYS 442 Cb -0.03 -3.86 -0.06 0.00 -1.68 0.00 0.00 37.83 32.20 1kke s LYS 442 CO -0.01 -1.01 0.58 -1.58 -0.76 0.00 0.00 175.35 172.57 1kke s TRP 443 N 1.45 3.73 0.67 3.18 0.52 0.26 -0.89 118.94 127.86 1kke s TRP 443 Ca 0.04 1.21 -0.10 0.00 0.02 0.00 0.00 56.10 57.27 1kke s TRP 443 Cb -0.24 -2.56 0.02 0.00 -1.15 0.00 0.00 33.47 29.54 1kke s TRP 443 CO 0.02 0.45 1.03 -1.25 0.02 0.00 0.00 176.95 177.22 1kke s PRO 444 N -0.55 2.83 0.35 4.98 0.04 -1.26 -1.99 135.00 139.41 1kke s PRO 444 Ca 0.30 0.28 -0.28 0.00 0.04 0.00 0.00 61.00 61.33 1kke s PRO 444 Cb -0.19 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 1kke s PRO 444 CO 0.18 -0.95 1.38 0.00 0.04 0.00 0.00 177.00 177.64 1kke s ALA 445 N -3.24 3.51 0.00 8.56 0.00 -1.26 -4.38 121.76 124.95 1kke s ALA 445 Ca 0.57 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1kke s ALA 445 Cb -0.11 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 1kke s ALA 445 CO 0.49 -0.81 -0.01 -1.64 0.00 0.00 0.00 175.76 173.79 1kke s MET 446 N -1.93 0.11 -0.20 0.00 -1.94 -0.59 -4.89 119.30 109.85 1kke s MET 446 Ca 0.51 -0.13 -0.04 0.00 -1.71 0.00 0.00 55.69 54.32 1kke s MET 446 Cb -0.42 -0.04 -0.02 0.00 2.01 0.00 0.00 34.83 36.36 1kke s MET 446 CO 0.57 0.01 -0.03 0.99 -0.01 0.00 0.00 175.02 176.54 1kke s THR 447 N -0.25 3.62 -0.25 2.05 2.01 -1.26 -0.16 115.64 121.40 1kke s THR 447 Ca -0.02 -0.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 1kke s THR 447 Cb -0.02 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1kke s THR 447 CO -0.00 0.43 0.07 -0.69 -0.69 0.00 0.00 174.62 173.74 1kke s VAL 448 N 1.13 4.27 0.06 3.82 1.01 -0.20 -4.94 120.40 125.55 1kke s VAL 448 Ca 0.02 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1kke s VAL 448 Cb -0.15 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1kke s VAL 448 CO 0.00 0.34 -0.19 -0.44 0.00 0.00 0.00 175.10 174.81 1kke s SER 449 N 1.60 2.33 -0.05 3.32 0.01 -1.26 -0.38 113.70 119.27 1kke s SER 449 Ca 0.06 -0.57 -0.29 0.00 1.31 0.00 0.00 55.95 56.46 1kke s SER 449 Cb -0.15 -0.16 0.10 0.00 0.21 0.00 0.00 66.02 66.02 1kke s SER 449 CO 0.03 0.10 0.88 -0.72 0.41 0.00 0.00 173.24 173.93 1kke s TYR 450 N -0.95 -0.41 0.16 2.43 -0.85 -1.04 -4.75 117.35 111.93 1kke s TYR 450 Ca 0.06 0.49 -0.32 0.00 -0.52 0.00 0.00 57.07 56.78 1kke s TYR 450 Cb -0.09 0.49 -0.10 0.00 0.38 0.00 0.00 41.96 42.64 1kke s TYR 450 CO 0.03 -0.51 1.59 -1.25 -1.52 0.00 0.00 175.55 173.89 1kke s PRO 451 N -2.22 4.20 0.16 -3.49 0.04 -1.26 -1.79 135.00 130.64 1kke s PRO 451 Ca 0.00 2.39 -0.19 0.00 0.04 0.00 0.00 61.00 63.24 1kke s PRO 451 Cb -0.01 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.27 1kke s PRO 451 CO -0.03 -0.63 0.65 0.50 0.04 0.00 0.00 177.00 177.53 1kke s ARG 452 N 1.29 4.21 0.41 4.56 3.52 0.05 -0.32 118.95 132.68 1kke s ARG 452 Ca 0.71 0.78 -0.25 0.00 -0.13 0.00 0.00 55.73 56.85 1kke s ARG 452 Cb -0.44 -3.02 -0.08 0.00 -1.56 0.00 0.00 34.95 29.85 1kke s ARG 452 CO 0.31 0.49 1.16 0.45 -0.81 0.00 0.00 175.30 176.91 1kke s SER 453 N -1.49 6.45 0.03 -2.12 0.15 0.55 -4.18 113.70 113.09 1kke s SER 453 Ca 0.38 2.32 -0.05 0.00 0.70 0.00 0.00 55.95 59.31 1kke s SER 453 Cb -0.18 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.51 1kke s SER 453 CO 0.21 -0.72 0.07 0.72 1.20 0.00 0.00 173.24 174.72 1kke s PHE 454 N -1.46 0.20 0.00 3.44 -0.71 -1.26 -4.93 117.98 113.26 1kke s PHE 454 Ca 0.59 -0.47 0.00 0.00 -1.04 0.00 0.00 56.93 56.01 1kke s PHE 454 Cb -0.30 -0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.37 1kke s PHE 454 CO 0.37 -0.32 0.00 0.25 -1.34 0.00 0.00 175.22 174.18