#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwh n LEU 264 N 0.00 0.07 -0.26 2.46 7.94 -1.26 -1.94 117.00 124.01 3jwh n LEU 264 Ca 0.00 0.81 0.29 0.00 -1.11 0.00 0.00 56.01 55.99 3jwh n LEU 264 Cb 0.00 -0.34 0.67 0.00 0.53 0.00 0.00 43.42 44.28 3jwh n LEU 264 CO 0.00 -0.34 1.27 -0.55 -1.11 0.00 0.00 177.39 176.66 3jwh h ASN 265 N 0.00 0.13 -0.51 1.96 7.08 -2.02 0.32 115.58 122.55 3jwh h ASN 265 Ca 0.00 0.02 -0.01 0.00 -3.08 0.00 0.00 56.30 53.23 3jwh h ASN 265 Cb 0.00 -0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 3jwh h ASN 265 CO 0.00 0.03 0.27 -0.61 -2.08 0.00 0.00 177.43 175.04 3jwh h GLN 266 N 0.12 0.72 -0.47 4.14 5.75 -1.99 -1.90 115.11 121.47 3jwh h GLN 266 Ca 0.51 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.84 3jwh h GLN 266 Cb 1.80 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 30.20 3jwh h GLN 266 CO -0.08 0.57 -0.04 1.96 -2.65 0.00 0.00 178.83 178.60 3jwh h GLN 267 N 0.68 0.81 -0.38 1.69 4.20 0.31 -2.55 115.11 119.86 3jwh h GLN 267 Ca 0.18 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3jwh h GLN 267 Cb 0.07 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3jwh h GLN 267 CO -0.03 0.84 0.25 -0.09 -0.67 0.00 0.00 178.83 179.14 3jwh h ARG 268 N 0.75 0.51 -0.12 1.46 2.43 -0.98 -0.05 114.38 118.38 3jwh h ARG 268 Ca 0.14 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3jwh h ARG 268 Cb 0.51 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3jwh h ARG 268 CO 0.03 0.34 0.04 0.52 -1.51 0.00 0.00 179.97 179.39 3jwh h MET 269 N 0.52 0.10 -0.36 0.20 2.86 -1.16 -1.06 114.93 116.03 3jwh h MET 269 Ca 0.14 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3jwh h MET 269 Cb -0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3jwh h MET 269 CO -0.03 0.06 0.19 -0.91 1.06 0.00 0.00 176.91 177.28 3jwh h ASN 270 N 0.10 0.47 -0.84 1.22 2.35 -1.25 -1.19 115.58 116.44 3jwh h ASN 270 Ca 0.05 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3jwh h ASN 270 Cb 0.02 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 3jwh h ASN 270 CO -0.05 0.45 0.54 1.23 -1.65 0.00 0.00 177.43 177.95 3jwh h GLY 271 N 0.46 1.21 0.95 2.83 0.00 -0.83 0.15 103.07 107.84 3jwh h GLY 271 Ca 0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3jwh h GLY 271 CO -0.02 0.36 0.17 -2.08 0.00 0.00 0.00 176.54 174.98 3jwh h VAL 272 N 1.06 1.19 -0.37 4.60 2.07 -0.93 -1.56 116.25 122.32 3jwh h VAL 272 Ca 0.33 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3jwh h VAL 272 Cb -0.01 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3jwh h VAL 272 CO -0.11 0.21 0.21 0.58 0.02 0.00 0.00 177.57 178.49 3jwh h VAL 273 N 0.51 1.03 -0.60 2.57 2.07 -0.26 -1.20 116.25 120.38 3jwh h VAL 273 Ca 0.14 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3jwh h VAL 273 Cb 0.17 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3jwh h VAL 273 CO -0.01 0.08 0.35 0.00 0.02 0.00 0.00 177.57 178.01 3jwh h ALA 274 N 1.17 0.78 -0.68 1.67 0.00 -0.53 0.22 119.26 121.88 3jwh h ALA 274 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3jwh h ALA 274 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3jwh h ALA 274 CO -0.07 0.07 0.33 0.00 0.00 0.00 0.00 179.25 179.58 3jwh h ALA 275 N 1.28 1.30 -0.29 0.00 0.00 -0.85 -0.42 119.26 120.28 3jwh h ALA 275 Ca 0.25 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3jwh h ALA 275 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3jwh h ALA 275 CO -0.12 0.54 -0.36 -0.07 0.00 0.00 0.00 179.25 179.24 3jwh h LEU 276 N 0.96 0.68 0.93 0.00 3.38 -0.44 -3.02 115.31 117.81 3jwh h LEU 276 Ca 0.24 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3jwh h LEU 276 Cb 0.09 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.66 3jwh h LEU 276 CO -0.03 0.97 -0.45 0.11 0.09 0.00 0.00 178.44 179.13 3jwh h LYS 277 N 0.54 -1.21 -0.95 1.13 1.79 -0.29 -0.43 116.57 117.15 3jwh h LYS 277 Ca 0.05 0.08 0.22 0.00 -2.18 0.00 0.00 60.65 58.82 3jwh h LYS 277 Cb 0.87 0.27 -0.18 0.00 -1.58 0.00 0.00 32.23 31.61 3jwh h LYS 277 CO 0.08 -0.81 -0.15 1.04 -1.08 0.00 0.00 179.45 178.53 3jwh n GLN 278 N -5.55 -0.08 -0.16 3.15 1.13 -0.23 0.12 117.38 115.76 3jwh n GLN 278 Ca -0.16 1.46 0.04 0.00 -1.94 0.00 0.00 57.00 56.41 3jwh n GLN 278 Cb 0.49 -2.23 0.13 0.00 0.11 0.00 0.00 30.24 28.74 3jwh n GLN 278 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3jwh n SER 279 N -5.50 1.59 -3.93 1.08 7.64 -1.15 -4.91 113.62 108.43 3jwh n SER 279 Ca 0.18 -2.03 -0.29 0.00 1.01 0.00 0.00 58.87 57.74 3jwh n SER 279 Cb 0.57 -0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.57 3jwh n SER 279 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3jwh n ASN 280 N 0.31 -3.60 -4.50 6.43 5.15 0.32 -4.91 115.26 114.46 3jwh n ASN 280 Ca 0.09 -0.84 -0.43 0.00 -0.60 0.00 0.00 54.58 52.81 3jwh n ASN 280 Cb 0.26 -3.67 -0.04 0.00 -0.53 0.00 0.00 39.78 35.80 3jwh n ASN 280 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3jwh s ALA 281 N -3.42 3.11 -0.70 5.20 0.00 -0.20 -4.83 121.76 120.92 3jwh s ALA 281 Ca 0.51 -1.45 0.19 0.00 0.00 0.00 0.00 51.96 51.22 3jwh s ALA 281 Cb -0.26 -3.82 -0.23 0.00 0.00 0.00 0.00 23.12 18.80 3jwh s ALA 281 CO 0.85 -2.59 0.73 0.54 0.00 0.00 0.00 175.76 175.29 3jwh n ARG 282 N 7.70 0.59 -3.81 0.00 1.74 -1.26 -4.75 116.66 116.88 3jwh n ARG 282 Ca 0.00 -0.04 -0.36 0.00 -0.77 0.00 0.00 57.85 56.68 3jwh n ARG 282 Cb 0.47 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.36 3jwh n ARG 282 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3jwh s ARG 283 N -2.97 2.01 -0.11 5.56 1.81 -1.26 -0.65 118.95 123.35 3jwh s ARG 283 Ca 0.04 -1.76 0.02 0.00 -1.72 0.00 0.00 55.73 52.31 3jwh s ARG 283 Cb 0.14 -3.52 -0.01 0.00 -0.45 0.00 0.00 34.95 31.11 3jwh s ARG 283 CO 0.81 -1.01 -0.18 0.08 -0.68 0.00 0.00 175.30 174.31 3jwh s VAL 284 N 1.14 2.62 -0.18 3.52 1.01 0.21 0.23 120.40 128.94 3jwh s VAL 284 Ca 0.07 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 3jwh s VAL 284 Cb -0.22 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3jwh s VAL 284 CO -0.04 0.55 -0.04 -0.51 0.00 0.00 0.00 175.10 175.05 3jwh s ILE 285 N 0.22 3.63 -0.47 2.22 2.07 -0.10 -1.19 121.20 127.58 3jwh s ILE 285 Ca -0.11 -0.43 -0.15 0.00 -1.41 0.00 0.00 60.65 58.55 3jwh s ILE 285 Cb -0.16 -2.61 0.08 0.00 0.13 0.00 0.00 42.46 39.89 3jwh s ILE 285 CO 0.06 0.46 0.38 -0.62 -1.91 0.00 0.00 174.94 173.31 3jwh s ASP 286 N 0.89 6.09 -0.34 4.50 2.15 0.30 -1.01 116.67 129.26 3jwh s ASP 286 Ca -0.01 -1.37 -0.25 0.00 0.43 0.00 0.00 52.55 51.36 3jwh s ASP 286 Cb -0.15 -2.16 0.01 0.00 -0.30 0.00 0.00 42.92 40.32 3jwh s ASP 286 CO 0.01 -0.64 0.86 -0.76 -0.17 0.00 0.00 175.17 174.47 3jwh s LEU 287 N 1.61 4.06 0.00 -1.34 1.43 -0.64 -0.04 118.68 123.76 3jwh s LEU 287 Ca 0.04 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3jwh s LEU 287 Cb -0.24 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.81 3jwh s LEU 287 CO 0.06 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.51 3jwh n GLY 288 N 4.29 0.69 0.31 -3.19 0.00 0.19 -4.42 105.19 103.05 3jwh n GLY 288 Ca 0.05 -0.54 0.16 0.00 0.00 0.00 0.00 46.02 45.70 3jwh n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwh n GLY 290 N -1.32 2.55 0.00 0.00 0.00 -1.26 -1.94 105.19 103.22 3jwh n GLY 290 Ca -0.02 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.66 3jwh n GLY 290 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jwh n GLN 291 N 13.52 0.07 -0.77 1.61 6.02 -1.26 -4.42 117.38 132.14 3jwh n GLN 291 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 3jwh n GLN 291 Cb 0.00 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.76 3jwh n GLN 291 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3jwh n GLY 292 N -0.26 1.36 0.06 1.08 0.00 -0.82 -3.46 105.19 103.15 3jwh n GLY 292 Ca 0.04 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 3jwh n GLY 292 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3jwh h ASN 293 N 0.00 -0.04 -0.49 1.61 4.21 -1.89 -1.88 115.58 117.10 3jwh h ASN 293 Ca 0.00 -0.05 -0.08 0.00 1.21 0.00 0.00 56.30 57.38 3jwh h ASN 293 Cb 0.38 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.57 3jwh h ASN 293 CO 0.00 0.02 0.01 0.25 -1.29 0.00 0.00 177.43 176.42 3jwh h LEU 294 N -0.10 0.85 -1.65 1.61 5.85 -1.95 -2.87 115.31 117.04 3jwh h LEU 294 Ca -0.00 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.51 3jwh h LEU 294 Cb 0.09 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3jwh h LEU 294 CO 0.01 0.94 0.39 -0.07 -0.34 0.00 0.00 178.44 179.37 3jwh h LEU 295 N 0.73 0.36 0.17 2.25 3.38 -1.88 -1.67 115.31 118.65 3jwh h LEU 295 Ca 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3jwh h LEU 295 Cb 0.50 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3jwh h LEU 295 CO 0.02 0.22 -0.08 0.50 0.09 0.00 0.00 178.44 179.19 3jwh h LYS 296 N 0.40 -0.22 -0.35 1.13 3.64 -1.11 -0.80 116.57 119.25 3jwh h LYS 296 Ca 0.27 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3jwh h LYS 296 Cb 0.52 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3jwh h LYS 296 CO -0.07 -0.06 0.19 0.82 -2.27 0.00 0.00 179.45 178.06 3jwh h ILE 297 N -0.35 1.15 0.00 2.00 2.04 -1.37 -2.54 117.51 118.44 3jwh h ILE 297 Ca -0.02 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 3jwh h ILE 297 Cb 0.27 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3jwh h ILE 297 CO 0.04 0.15 -0.25 -0.07 0.00 0.00 0.00 178.15 178.02 3jwh h LEU 298 N 0.44 0.00 -0.38 1.44 3.38 -1.28 -2.77 115.31 116.14 3jwh h LEU 298 Ca 0.12 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 3jwh h LEU 298 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3jwh h LEU 298 CO -0.02 0.25 -0.59 0.25 0.09 0.00 0.00 178.44 178.42 3jwh h LEU 299 N 0.00 0.79 -0.30 1.67 6.46 -0.82 -3.03 115.31 120.08 3jwh h LEU 299 Ca -0.00 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 3jwh h LEU 299 Cb 0.45 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 3jwh h LEU 299 CO 0.03 1.20 0.00 2.29 -0.62 0.00 0.00 178.44 181.34 3jwh n LYS 300 N -3.96 1.11 -3.98 1.25 2.85 -0.99 -4.64 118.16 109.80 3jwh n LYS 300 Ca -0.04 -0.14 -0.30 0.00 -1.05 0.00 0.00 58.31 56.77 3jwh n LYS 300 Cb 0.64 -1.11 -0.16 0.00 -0.65 0.00 0.00 35.03 33.75 3jwh n LYS 300 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3jwh s ASP 301 N -0.84 3.54 0.07 -5.58 -1.08 -1.15 -4.99 116.67 106.64 3jwh s ASP 301 Ca 0.03 -0.98 0.12 0.00 -0.52 0.00 0.00 52.55 51.20 3jwh s ASP 301 Cb 0.01 -1.21 0.55 0.00 -1.46 0.00 0.00 42.92 40.81 3jwh s ASP 301 CO 0.02 -0.18 1.39 -1.20 0.52 0.00 0.00 175.17 175.72 3jwh n SER 302 N 4.68 0.15 0.18 -0.34 7.64 -1.26 -2.52 113.62 122.15 3jwh n SER 302 Ca -0.14 0.55 0.09 0.00 1.01 0.00 0.00 58.87 60.38 3jwh n SER 302 Cb 0.46 -0.58 0.61 0.00 -1.01 0.00 0.00 64.21 63.69 3jwh n SER 302 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3jwh h PHE 303 N 0.00 0.08 -3.57 1.43 3.57 -1.94 -3.40 116.94 113.12 3jwh h PHE 303 Ca 0.00 0.00 -0.61 0.00 3.53 0.00 0.00 57.97 60.89 3jwh h PHE 303 Cb 0.18 -0.03 -0.13 0.00 2.79 0.00 0.00 35.95 38.76 3jwh h PHE 303 CO 0.00 0.05 -0.24 -0.06 -2.23 0.00 0.00 178.31 175.83 3jwh s PHE 304 N -5.13 3.32 -0.42 0.41 0.08 -1.05 -4.73 117.98 110.47 3jwh s PHE 304 Ca -0.06 0.51 0.23 0.00 0.12 0.00 0.00 56.93 57.73 3jwh s PHE 304 Cb 0.18 -2.52 0.26 0.00 -0.57 0.00 0.00 43.02 40.37 3jwh s PHE 304 CO 0.69 -0.08 1.38 0.93 -0.10 0.00 0.00 175.22 178.04 3jwh h GLU 305 N 7.66 0.00 -2.27 0.44 3.07 -1.10 -3.46 114.58 118.92 3jwh h GLU 305 Ca -0.35 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.50 3jwh h GLU 305 Cb 1.16 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.84 3jwh h GLU 305 CO 0.69 0.00 -0.21 -1.14 -1.40 0.00 0.00 179.01 176.94 3jwh s GLN 306 N -3.25 0.48 -0.19 2.33 0.74 -0.95 -4.77 119.66 114.06 3jwh s GLN 306 Ca 0.05 1.19 0.01 0.00 0.05 0.00 0.00 55.36 56.65 3jwh s GLN 306 Cb 0.09 0.45 0.03 0.00 1.10 0.00 0.00 33.01 34.68 3jwh s GLN 306 CO 0.71 -0.21 -0.14 0.42 -0.55 0.00 0.00 175.29 175.53 3jwh s ILE 307 N 2.41 1.76 -0.04 -2.34 1.09 -1.03 -0.62 121.20 122.42 3jwh s ILE 307 Ca -0.06 -0.94 0.07 0.00 -1.10 0.00 0.00 60.65 58.62 3jwh s ILE 307 Cb -0.10 -1.73 -0.02 0.00 -1.06 0.00 0.00 42.46 39.55 3jwh s ILE 307 CO -0.16 0.31 -0.25 -0.89 -0.10 0.00 0.00 174.94 173.86 3jwh s THR 308 N 1.37 2.12 -0.03 2.92 2.01 -0.33 -2.78 115.64 120.92 3jwh s THR 308 Ca 0.01 -1.07 0.06 0.00 0.31 0.00 0.00 61.69 61.01 3jwh s THR 308 Cb -0.15 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 3jwh s THR 308 CO -0.10 0.58 -0.21 -0.83 -0.69 0.00 0.00 174.62 173.37 3jwh s GLY 309 N -0.41 1.40 -0.00 4.40 0.00 -0.66 0.11 107.32 112.16 3jwh s GLY 309 Ca 0.04 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.73 3jwh s GLY 309 CO 0.01 -0.87 -0.12 0.14 0.00 0.00 0.00 173.10 172.26 3jwh s VAL 310 N -0.68 0.98 -0.02 1.40 1.01 0.94 -1.31 120.40 122.71 3jwh s VAL 310 Ca 0.11 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3jwh s VAL 310 Cb -0.10 -0.82 0.09 0.00 0.00 0.00 0.00 36.38 35.55 3jwh s VAL 310 CO -0.00 0.24 0.80 -0.62 0.00 0.00 0.00 175.10 175.52 3jwh s ASP 311 N -0.38 -0.49 0.14 3.32 -1.08 -1.11 0.53 116.67 117.60 3jwh s ASP 311 Ca 0.04 0.30 0.18 0.00 -0.52 0.00 0.00 52.55 52.55 3jwh s ASP 311 Cb -0.05 0.45 -0.06 0.00 -1.46 0.00 0.00 42.92 41.80 3jwh s ASP 311 CO -0.00 -0.62 1.00 1.62 0.52 0.00 0.00 175.17 177.69 3jwh h VAL 312 N 2.42 0.43 -3.06 1.11 3.04 -1.85 -0.72 116.25 117.62 3jwh h VAL 312 Ca -0.25 -1.78 -0.57 0.00 -1.01 0.00 0.00 66.70 63.10 3jwh h VAL 312 Cb 1.21 1.98 -0.04 0.00 -2.01 0.00 0.00 31.29 32.42 3jwh h VAL 312 CO 0.35 0.25 1.11 -0.55 -1.01 0.00 0.00 177.57 177.71 3jwh s SER 313 N -5.82 6.28 0.33 3.17 0.15 -1.26 -4.66 113.70 111.89 3jwh s SER 313 Ca -0.01 1.08 0.04 0.00 0.70 0.00 0.00 55.95 57.75 3jwh s SER 313 Cb 0.09 -2.54 0.57 0.00 -1.71 0.00 0.00 66.02 62.43 3jwh s SER 313 CO 0.79 -1.43 1.87 1.88 1.20 0.00 0.00 173.24 177.54 3jwh h TYR 314 N 11.03 0.59 -0.22 3.44 0.05 -1.99 -2.33 116.97 127.54 3jwh h TYR 314 Ca -0.30 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.38 3jwh h TYR 314 Cb 1.12 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.69 3jwh h TYR 314 CO 0.95 0.56 -0.06 -0.09 -1.05 0.00 0.00 178.16 178.47 3jwh h ARG 315 N 0.55 0.44 -0.39 4.88 9.65 -2.00 -1.66 114.38 125.85 3jwh h ARG 315 Ca 0.12 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 3jwh h ARG 315 Cb 0.32 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 3jwh h ARG 315 CO 0.01 0.68 0.16 0.77 2.80 0.00 0.00 179.97 184.39 3jwh h SER 316 N 0.17 0.48 0.24 -3.80 0.02 -1.83 -1.72 113.55 107.10 3jwh h SER 316 Ca 0.06 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 3jwh h SER 316 Cb 0.52 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3jwh h SER 316 CO 0.02 0.44 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.58 3jwh h LEU 317 N 0.54 0.33 0.69 5.07 4.07 -1.27 -1.20 115.31 123.55 3jwh h LEU 317 Ca 0.14 -0.16 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 3jwh h LEU 317 Cb 0.10 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 41.75 3jwh h LEU 317 CO -0.02 0.78 -0.33 -0.33 -1.08 0.00 0.00 178.44 177.46 3jwh h GLU 318 N 0.24 -0.89 -0.16 1.13 4.39 -0.42 -1.29 114.58 117.58 3jwh h GLU 318 Ca 0.01 0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.82 3jwh h GLU 318 Cb 0.97 0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.77 3jwh h GLU 318 CO 0.08 -0.58 -0.19 0.82 -1.16 0.00 0.00 179.01 177.98 3jwh h ILE 319 N -0.97 0.51 -0.26 3.13 2.04 -1.40 -2.04 117.51 118.53 3jwh h ILE 319 Ca -0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.83 3jwh h ILE 319 Cb 0.72 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3jwh h ILE 319 CO 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 178.03 3jwh h ALA 320 N 0.83 -0.19 -0.56 1.87 0.00 -1.11 -0.81 119.26 119.29 3jwh h ALA 320 Ca 0.11 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3jwh h ALA 320 Cb 0.38 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3jwh h ALA 320 CO -0.29 -0.70 0.29 0.37 0.00 0.00 0.00 179.25 178.91 3jwh h GLN 321 N -0.28 0.53 -0.35 0.00 5.75 -0.91 -0.27 115.11 119.58 3jwh h GLN 321 Ca 0.14 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.49 3jwh h GLN 321 Cb 0.50 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 3jwh h GLN 321 CO -0.41 0.35 -0.25 1.05 -2.65 0.00 0.00 178.83 176.91 3jwh h GLU 322 N 0.54 0.70 0.03 1.69 4.11 -0.82 -1.59 114.58 119.24 3jwh h GLU 322 Ca 0.25 -0.29 -0.21 0.00 0.07 0.00 0.00 59.36 59.18 3jwh h GLU 322 Cb 0.18 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3jwh h GLU 322 CO -0.18 0.89 -0.96 0.07 0.07 0.00 0.00 179.01 178.89 3jwh h ARG 323 N 0.61 0.17 0.00 1.06 0.11 -0.87 -2.96 114.38 112.50 3jwh h ARG 323 Ca 0.08 -0.22 -0.09 0.00 0.10 0.00 0.00 59.98 59.86 3jwh h ARG 323 Cb 0.75 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.89 3jwh h ARG 323 CO 0.06 1.01 -0.42 -0.07 0.10 0.00 0.00 179.97 180.65 3jwh h LEU 324 N 0.08 0.00 -0.49 0.08 3.38 -0.96 -2.11 115.31 115.29 3jwh h LEU 324 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3jwh h LEU 324 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3jwh h LEU 324 CO 0.15 0.42 0.00 0.44 0.09 0.00 0.00 178.44 179.53 3jwh h ASP 325 N 0.00 0.00 0.62 -0.43 3.32 -1.14 -3.05 116.42 115.74 3jwh h ASP 325 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3jwh h ASP 325 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3jwh h ASP 325 CO 0.05 0.00 -0.47 0.54 -1.72 0.00 0.00 179.24 177.64 3jwh n ARG 326 N -2.46 0.06 -1.89 3.56 1.74 -0.80 -4.93 116.66 111.94 3jwh n ARG 326 Ca 0.03 0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 3jwh n ARG 326 Cb 0.34 -1.53 0.02 0.00 -1.02 0.00 0.00 32.46 30.27 3jwh n ARG 326 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3jwh s LEU 327 N -3.23 4.05 -0.56 0.55 1.43 -1.16 -4.95 118.68 114.81 3jwh s LEU 327 Ca 0.10 2.76 -0.22 0.00 -1.03 0.00 0.00 54.13 55.74 3jwh s LEU 327 Cb 0.17 -4.05 0.05 0.00 0.03 0.00 0.00 46.19 42.39 3jwh s LEU 327 CO 0.69 -1.19 0.86 -0.13 0.23 0.00 0.00 176.35 176.81 3jwh s ARG 328 N -2.55 3.23 0.32 1.70 0.52 -1.26 -5.00 118.95 115.90 3jwh s ARG 328 Ca 0.63 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 3jwh s ARG 328 Cb -0.40 -4.11 -0.03 0.00 0.52 0.00 0.00 34.95 30.93 3jwh s ARG 328 CO 0.50 -1.49 0.19 -0.51 0.02 0.00 0.00 175.30 174.01 3jwh s LEU 329 N 3.62 1.69 0.79 2.53 1.43 -1.26 -5.07 118.68 122.40 3jwh s LEU 329 Ca 0.24 -1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 51.61 3jwh s LEU 329 Cb -0.15 0.31 0.07 0.00 0.03 0.00 0.00 46.19 46.44 3jwh s LEU 329 CO 0.15 -0.95 1.09 -2.84 0.23 0.00 0.00 176.35 174.03 3jwh s PRO 330 N -3.71 2.09 0.49 1.29 0.02 -1.26 -4.96 135.00 128.96 3jwh s PRO 330 Ca 0.36 1.16 -0.23 0.00 0.02 0.00 0.00 61.00 62.31 3jwh s PRO 330 Cb 0.04 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 3jwh s PRO 330 CO 0.20 -1.76 1.17 -2.13 -0.33 0.00 0.00 177.00 174.15 3jwh n ARG 331 N -3.60 1.53 -4.47 5.54 0.63 -1.26 -2.86 116.66 112.17 3jwh n ARG 331 Ca 0.09 0.56 -0.40 0.00 -0.92 0.00 0.00 57.85 57.18 3jwh n ARG 331 Cb 0.53 -2.30 -0.09 0.00 0.45 0.00 0.00 32.46 31.05 3jwh n ARG 331 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3jwh n ASN 332 N -0.20 -1.06 0.10 6.15 2.04 -1.26 -4.83 115.26 116.20 3jwh n ASN 332 Ca 0.10 -1.25 -0.18 0.00 -0.44 0.00 0.00 54.58 52.80 3jwh n ASN 332 Cb 0.42 -1.59 -0.11 0.00 -2.53 0.00 0.00 39.78 35.97 3jwh n ASN 332 CO 0.00 0.00 0.00 -0.61 -0.44 0.00 0.00 177.26 176.21 3jwh h GLN 333 N -1.12 0.46 0.00 -3.83 5.75 -1.91 -3.13 115.11 111.34 3jwh h GLN 333 Ca -0.61 -0.64 0.00 0.00 -0.15 0.00 0.00 58.65 57.25 3jwh h GLN 333 Cb 1.39 0.22 0.00 0.00 1.07 0.00 0.00 27.48 30.15 3jwh h GLN 333 CO 0.84 1.27 0.07 0.91 -2.65 0.00 0.00 178.83 179.28 3jwh n TRP 334 N -3.70 0.00 0.51 3.99 8.01 -1.26 0.72 117.44 125.71 3jwh n TRP 334 Ca -0.11 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.20 3jwh n TRP 334 Cb 0.97 -0.34 0.45 0.00 -2.01 0.00 0.00 31.31 30.38 3jwh n TRP 334 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3jwh n GLU 335 N -1.33 0.16 0.06 -0.99 -0.58 -1.18 -1.76 120.64 115.02 3jwh n GLU 335 Ca 0.00 0.31 -0.10 0.00 -0.42 0.00 0.00 57.16 56.95 3jwh n GLU 335 Cb 0.07 -1.76 -0.13 0.00 -0.57 0.00 0.00 31.44 29.05 3jwh n GLU 335 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3jwh h ARG 336 N 0.00 0.10 -7.20 3.49 3.08 0.05 -3.47 114.38 110.43 3jwh h ARG 336 Ca 0.00 -0.16 -0.49 0.00 0.07 0.00 0.00 59.98 59.39 3jwh h ARG 336 Cb 0.43 0.06 0.04 0.00 0.08 0.00 0.00 29.97 30.58 3jwh h ARG 336 CO 0.00 1.01 0.33 -1.17 -1.07 0.00 0.00 179.97 179.08 3jwh s LEU 337 N -6.78 3.46 -0.30 3.04 2.96 -0.72 -2.47 118.68 117.86 3jwh s LEU 337 Ca -0.02 1.37 -0.13 0.00 -0.22 0.00 0.00 54.13 55.13 3jwh s LEU 337 Cb 0.09 -4.36 0.16 0.00 0.50 0.00 0.00 46.19 42.58 3jwh s LEU 337 CO 0.84 -0.70 0.87 -1.58 -1.32 0.00 0.00 176.35 174.46 3jwh s GLN 338 N -4.65 0.39 -0.20 1.98 0.74 -1.12 -4.98 119.66 111.83 3jwh s GLN 338 Ca 0.55 0.96 -0.07 0.00 0.05 0.00 0.00 55.36 56.85 3jwh s GLN 338 Cb -0.11 0.58 -0.04 0.00 1.10 0.00 0.00 33.01 34.55 3jwh s GLN 338 CO 0.44 -0.16 0.06 -0.51 -0.55 0.00 0.00 175.29 174.57 3jwh s LEU 339 N 2.63 3.71 -0.07 3.68 1.02 -1.26 -1.65 118.68 126.75 3jwh s LEU 339 Ca -0.03 0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.17 3jwh s LEU 339 Cb -0.08 -1.95 0.00 0.00 0.02 0.00 0.00 46.19 44.18 3jwh s LEU 339 CO -0.18 0.13 -0.19 -0.63 0.02 0.00 0.00 176.35 175.50 3jwh s ILE 340 N 0.65 1.61 -0.10 -0.59 1.01 -0.43 -5.00 121.20 118.35 3jwh s ILE 340 Ca 0.03 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 3jwh s ILE 340 Cb -0.13 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3jwh s ILE 340 CO 0.02 0.46 0.15 0.00 0.00 0.00 0.00 174.94 175.57 3jwh s GLN 341 N 0.24 3.45 0.00 2.79 1.03 -1.26 -2.77 119.66 123.14 3jwh s GLN 341 Ca -0.10 -0.15 0.00 0.00 0.04 0.00 0.00 55.36 55.14 3jwh s GLN 341 Cb -0.15 -3.17 0.00 0.00 0.03 0.00 0.00 33.01 29.72 3jwh s GLN 341 CO 0.05 0.76 0.00 0.41 -2.54 0.00 0.00 175.29 173.96 3jwh n GLY 342 N 1.79 2.36 3.84 2.60 0.00 -0.28 -4.92 105.19 110.58 3jwh n GLY 342 Ca -0.18 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 3jwh n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwh s ALA 343 N -2.00 3.27 -0.92 4.61 0.00 -1.26 -2.82 121.76 122.64 3jwh s ALA 343 Ca 0.00 0.11 0.27 0.00 0.00 0.00 0.00 51.96 52.33 3jwh s ALA 343 Cb 0.00 -2.84 1.07 0.00 0.00 0.00 0.00 23.12 21.35 3jwh s ALA 343 CO 0.00 0.29 1.84 1.28 0.00 0.00 0.00 175.76 179.17 3jwh n LEU 344 N -0.43 0.22 -0.81 0.00 4.77 -1.26 -3.14 117.00 116.36 3jwh n LEU 344 Ca 0.04 0.52 0.06 0.00 -0.03 0.00 0.00 56.01 56.61 3jwh n LEU 344 Cb 0.53 -0.46 0.19 0.00 -2.33 0.00 0.00 43.42 41.35 3jwh n LEU 344 CO 0.41 -0.09 0.65 0.35 -1.33 0.00 0.00 177.39 177.38 3jwh n THR 345 N -1.71 0.63 -4.76 -5.08 -2.24 -1.26 -4.57 114.28 95.28 3jwh n THR 345 Ca 0.06 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 3jwh n THR 345 Cb 0.34 0.23 -0.15 0.00 -2.10 0.00 0.00 70.33 68.65 3jwh n THR 345 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3jwh s TYR 346 N -1.48 2.78 -1.06 4.78 5.04 -1.19 -4.77 117.35 121.45 3jwh s TYR 346 Ca 0.28 -0.76 -0.22 0.00 -2.44 0.00 0.00 57.07 53.93 3jwh s TYR 346 Cb 0.15 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.62 3jwh s TYR 346 CO 0.18 -0.28 1.73 -0.65 -1.34 0.00 0.00 175.55 175.18 3jwh s GLN 347 N 0.45 3.19 -0.13 4.97 -0.21 -1.26 -4.95 119.66 121.72 3jwh s GLN 347 Ca -0.11 -1.05 -0.24 0.00 0.02 0.00 0.00 55.36 53.99 3jwh s GLN 347 Cb -0.16 -5.29 -0.03 0.00 1.00 0.00 0.00 33.01 28.54 3jwh s GLN 347 CO 0.05 -2.84 0.74 0.34 -2.12 0.00 0.00 175.29 171.46 3jwh s ASP 348 N 5.98 6.92 0.04 5.90 -1.08 -1.26 -4.92 116.67 128.25 3jwh s ASP 348 Ca 0.58 1.12 0.02 0.00 -0.52 0.00 0.00 52.55 53.75 3jwh s ASP 348 Cb -0.01 -2.42 0.11 0.00 -1.46 0.00 0.00 42.92 39.13 3jwh s ASP 348 CO -0.00 -0.26 0.95 0.29 0.52 0.00 0.00 175.17 176.67 3jwh n LYS 349 N 4.59 0.01 -0.24 4.34 5.02 -1.26 -0.69 118.16 129.92 3jwh n LYS 349 Ca 0.01 0.41 0.08 0.00 -2.02 0.00 0.00 58.31 56.79 3jwh n LYS 349 Cb 0.50 -1.67 0.22 0.00 -0.02 0.00 0.00 35.03 34.07 3jwh n LYS 349 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jwh n ARG 350 N -1.47 2.14 -0.50 1.97 1.74 -1.26 -3.95 116.66 115.32 3jwh n ARG 350 Ca -0.00 -1.76 0.10 0.00 -0.77 0.00 0.00 57.85 55.41 3jwh n ARG 350 Cb 0.13 -1.39 0.33 0.00 -1.02 0.00 0.00 32.46 30.51 3jwh n ARG 350 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3jwh n PHE 351 N 0.93 1.23 -3.47 -1.55 3.72 0.13 -4.97 117.46 113.49 3jwh n PHE 351 Ca 0.17 -0.52 -0.19 0.00 -0.05 0.00 0.00 57.45 56.85 3jwh n PHE 351 Cb 0.42 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.80 3jwh n PHE 351 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3jwh s HIS 352 N -1.56 3.06 0.00 1.38 3.76 -1.25 -4.63 115.29 116.05 3jwh s HIS 352 Ca 0.47 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 3jwh s HIS 352 Cb 0.28 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.97 3jwh s HIS 352 CO 0.26 -0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.54 3jwh n GLY 353 N -1.63 2.49 3.82 -2.22 0.00 -1.26 -5.03 105.19 101.37 3jwh n GLY 353 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3jwh n GLY 353 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jwh s TYR 354 N -2.48 3.23 0.03 1.61 2.02 -1.26 -4.98 117.35 115.51 3jwh s TYR 354 Ca 0.00 1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 58.09 3jwh s TYR 354 Cb 0.00 -2.90 -0.33 0.00 -0.40 0.00 0.00 41.96 38.33 3jwh s TYR 354 CO 0.00 -0.69 0.99 -0.44 -1.57 0.00 0.00 175.55 173.84 3jwh h ASP 355 N 0.80 0.67 -4.80 2.29 3.32 -0.60 -3.39 116.42 114.70 3jwh h ASP 355 Ca -0.47 -0.76 -0.15 0.00 0.02 0.00 0.00 57.03 55.67 3jwh h ASP 355 Cb 1.20 -0.22 -0.21 0.00 0.22 0.00 0.00 39.33 40.32 3jwh h ASP 355 CO 0.60 1.60 -0.52 0.00 -1.72 0.00 0.00 179.24 179.19 3jwh s ALA 356 N -2.61 -0.28 -0.06 3.45 0.00 -0.89 -1.27 121.76 120.09 3jwh s ALA 356 Ca -0.08 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.82 3jwh s ALA 356 Cb 0.05 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3jwh s ALA 356 CO 0.91 -0.18 -0.22 0.00 0.00 0.00 0.00 175.76 176.27 3jwh s ALA 357 N -1.18 1.95 -0.10 0.00 0.00 -0.76 -0.92 121.76 120.75 3jwh s ALA 357 Ca -0.13 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 3jwh s ALA 357 Cb -0.07 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 3jwh s ALA 357 CO 0.01 0.34 -0.08 0.95 0.00 0.00 0.00 175.76 176.98 3jwh s THR 358 N 0.05 3.59 -0.50 0.00 -4.23 -0.18 -2.29 115.64 112.08 3jwh s THR 358 Ca -0.08 -0.50 0.03 0.00 -1.18 0.00 0.00 61.69 59.97 3jwh s THR 358 Cb -0.14 -2.50 0.14 0.00 1.34 0.00 0.00 72.50 71.34 3jwh s THR 358 CO 0.04 0.56 0.28 -0.69 -0.54 0.00 0.00 174.62 174.27 3jwh s VAL 359 N -0.28 1.99 -0.29 2.29 1.01 -0.16 -1.63 120.40 123.33 3jwh s VAL 359 Ca 0.04 -3.05 -0.11 0.00 0.00 0.00 0.00 61.98 58.85 3jwh s VAL 359 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3jwh s VAL 359 CO 0.03 -0.88 0.19 -0.63 0.00 0.00 0.00 175.10 173.80 3jwh s ILE 360 N -0.12 5.12 -1.39 2.22 -1.09 -1.26 -2.45 121.20 122.24 3jwh s ILE 360 Ca 0.19 -0.02 -0.02 0.00 -2.23 0.00 0.00 60.65 58.57 3jwh s ILE 360 Cb -0.22 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 3jwh s ILE 360 CO -0.03 0.18 0.59 -0.62 -1.23 0.00 0.00 174.94 173.83 3jwh n GLU 361 N 5.05 -4.10 -0.00 2.79 -0.58 -0.91 -4.90 120.64 117.99 3jwh n GLU 361 Ca -0.14 0.50 -0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3jwh n GLU 361 Cb 0.51 -4.89 -0.00 0.00 -0.57 0.00 0.00 31.44 26.49 3jwh n GLU 361 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3jwh n VAL 362 N -4.37 0.01 -0.18 2.62 0.31 -1.26 -4.84 118.33 110.62 3jwh n VAL 362 Ca -0.26 -0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.03 3jwh n VAL 362 Cb 0.66 -1.02 0.04 0.00 -0.91 0.00 0.00 33.84 32.61 3jwh n VAL 362 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3jwh h ILE 363 N -0.00 0.32 -1.10 2.52 1.08 -1.87 -1.45 117.51 117.00 3jwh h ILE 363 Ca -0.01 0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.77 3jwh h ILE 363 Cb 1.01 0.32 -0.11 0.00 -3.07 0.00 0.00 36.82 34.97 3jwh h ILE 363 CO -0.00 0.00 0.70 1.05 -0.69 0.00 0.00 178.15 179.21 3jwh h GLU 364 N -0.08 0.31 0.00 2.37 9.09 -1.91 0.40 114.58 124.76 3jwh h GLU 364 Ca 0.26 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.65 3jwh h GLU 364 Cb 0.48 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 3jwh h GLU 364 CO -0.62 0.21 0.00 0.72 0.05 0.00 0.00 179.01 179.37 3jwh n HIS 365 N -4.70 0.00 -4.66 2.06 8.25 -0.55 -4.73 115.22 110.90 3jwh n HIS 365 Ca 0.29 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.42 3jwh n HIS 365 Cb 1.01 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.99 3jwh n HIS 365 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jwh s LEU 366 N -1.85 2.92 0.67 2.41 1.43 0.14 -5.10 118.68 119.29 3jwh s LEU 366 Ca 0.36 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 3jwh s LEU 366 Cb 0.16 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.72 3jwh s LEU 366 CO 0.27 0.19 1.05 1.51 0.23 0.00 0.00 176.35 179.61 3jwh s ASP 367 N 0.20 5.66 0.60 2.29 -4.77 -1.26 -4.65 116.67 114.73 3jwh s ASP 367 Ca -0.06 1.15 0.29 0.00 -3.30 0.00 0.00 52.55 50.63 3jwh s ASP 367 Cb -0.15 -2.04 1.24 0.00 -1.09 0.00 0.00 42.92 40.88 3jwh s ASP 367 CO 0.04 -1.19 1.60 0.17 0.70 0.00 0.00 175.17 176.49 3jwh h LEU 368 N -0.51 0.00 0.21 2.11 8.10 -1.97 0.29 115.31 123.54 3jwh h LEU 368 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.53 3jwh h LEU 368 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.46 3jwh h LEU 368 CO 0.63 0.00 -0.10 0.28 -4.11 0.00 0.00 178.44 175.14 3jwh h SER 369 N 0.00 -0.23 0.36 0.17 0.02 -2.01 -3.04 113.55 108.81 3jwh h SER 369 Ca 0.39 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 3jwh h SER 369 Cb 2.17 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.76 3jwh h SER 369 CO -0.00 -0.07 -0.20 0.03 -1.14 0.00 0.00 176.83 175.45 3jwh h ARG 370 N -0.47 0.00 -0.75 3.45 3.08 -1.70 -2.94 114.38 115.04 3jwh h ARG 370 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3jwh h ARG 370 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 3jwh h ARG 370 CO 0.05 0.20 0.46 1.25 -1.07 0.00 0.00 179.97 180.85 3jwh h LEU 371 N 0.00 0.90 0.29 3.04 5.85 -0.53 -1.16 115.31 123.70 3jwh h LEU 371 Ca -0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3jwh h LEU 371 Cb 0.43 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3jwh h LEU 371 CO 0.03 0.69 -0.14 1.23 -0.34 0.00 0.00 178.44 179.91 3jwh h GLY 372 N 1.03 -0.41 0.98 3.75 0.00 -1.39 -2.30 103.07 104.73 3jwh h GLY 372 Ca 0.27 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.79 3jwh h GLY 372 CO -0.05 -0.15 0.59 0.00 0.00 0.00 0.00 176.54 176.93 3jwh h ALA 373 N 0.14 1.45 -0.54 3.60 0.00 -1.57 -1.79 119.26 120.55 3jwh h ALA 373 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3jwh h ALA 373 Cb 0.39 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3jwh h ALA 373 CO 0.07 0.45 0.19 0.35 0.00 0.00 0.00 179.25 180.31 3jwh h PHE 374 N 1.10 0.80 -0.64 0.00 3.57 -1.09 -1.50 116.94 119.17 3jwh h PHE 374 Ca 0.36 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 3jwh h PHE 374 Cb 0.05 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3jwh h PHE 374 CO -0.00 0.64 0.27 0.93 -2.23 0.00 0.00 178.31 177.91 3jwh h GLU 375 N 0.78 0.95 0.18 1.11 5.08 -0.75 -0.30 114.58 121.64 3jwh h GLU 375 Ca 0.18 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3jwh h GLU 375 Cb 0.19 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3jwh h GLU 375 CO -0.01 0.80 -0.09 0.00 -1.00 0.00 0.00 179.01 178.70 3jwh h ARG 376 N 0.90 -0.24 -0.60 2.33 3.08 -1.21 0.16 114.38 118.80 3jwh h ARG 376 Ca 0.22 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.41 3jwh h ARG 376 Cb 0.19 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.19 3jwh h ARG 376 CO -0.02 0.05 -0.05 0.28 -1.07 0.00 0.00 179.97 179.16 3jwh h VAL 377 N -0.52 0.47 0.11 2.04 2.07 -1.12 0.36 116.25 119.67 3jwh h VAL 377 Ca -0.03 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3jwh h VAL 377 Cb 0.39 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3jwh h VAL 377 CO 0.04 0.01 -0.05 0.25 0.02 0.00 0.00 177.57 177.84 3jwh h LEU 378 N 0.08 -0.13 0.00 2.57 5.85 -0.98 0.18 115.31 122.88 3jwh h LEU 378 Ca 0.31 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3jwh h LEU 378 Cb 0.49 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3jwh h LEU 378 CO -0.55 0.49 -0.61 -0.26 -0.34 0.00 0.00 178.44 177.17 3jwh h PHE 379 N -0.89 0.00 0.00 1.25 0.04 -0.63 -2.56 116.94 114.14 3jwh h PHE 379 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3jwh h PHE 379 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 3jwh h PHE 379 CO 0.11 0.00 -0.51 -1.91 -0.60 0.00 0.00 178.31 175.40 3jwh n GLU 380 N -2.39 0.27 0.15 1.51 2.13 0.11 -4.47 120.64 117.96 3jwh n GLU 380 Ca 0.03 0.11 -0.06 0.00 0.66 0.00 0.00 57.16 57.89 3jwh n GLU 380 Cb 0.48 -0.96 -0.03 0.00 0.27 0.00 0.00 31.44 31.20 3jwh n GLU 380 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3jwh h PHE 381 N -0.51 -0.37 -0.18 4.31 3.57 -1.03 -3.35 116.94 119.38 3jwh h PHE 381 Ca 0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3jwh h PHE 381 Cb 0.51 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3jwh h PHE 381 CO -0.22 -0.23 0.01 0.00 -2.23 0.00 0.00 178.31 175.64 3jwh h ALA 382 N -1.73 0.24 -6.55 2.41 0.00 -1.10 -3.48 119.26 109.06 3jwh h ALA 382 Ca -0.04 -0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.17 3jwh h ALA 382 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3jwh h ALA 382 CO 0.07 -0.06 -0.95 0.94 0.00 0.00 0.00 179.25 179.25 3jwh n GLN 383 N -4.73 -1.48 -1.56 0.00 7.27 -0.97 -4.75 117.38 111.16 3jwh n GLN 383 Ca -0.05 0.32 -0.31 0.00 0.07 0.00 0.00 57.00 57.03 3jwh n GLN 383 Cb 0.21 -3.78 0.06 0.00 2.41 0.00 0.00 30.24 29.14 3jwh n GLN 383 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3jwh s PRO 384 N -6.61 2.82 0.35 3.69 0.04 -1.26 -4.95 135.00 129.07 3jwh s PRO 384 Ca 0.32 0.93 0.06 0.00 0.04 0.00 0.00 61.00 62.35 3jwh s PRO 384 Cb -0.14 -1.98 0.65 0.00 0.04 0.00 0.00 34.50 33.07 3jwh s PRO 384 CO 0.91 -1.18 1.87 -0.22 0.04 0.00 0.00 177.00 178.42 3jwh h LYS 385 N -0.78 0.41 -5.38 4.56 3.64 -1.69 -3.42 116.57 113.91 3jwh h LYS 385 Ca -0.44 -0.10 -0.49 0.00 -1.27 0.00 0.00 60.65 58.35 3jwh h LYS 385 Cb 1.22 -0.05 -0.28 0.00 -0.41 0.00 0.00 32.23 32.70 3jwh h LYS 385 CO 0.57 0.50 -0.81 0.42 -2.27 0.00 0.00 179.45 177.86 3jwh s ILE 386 N -4.81 1.17 -0.12 2.00 -1.09 -0.40 -0.65 121.20 117.31 3jwh s ILE 386 Ca -0.07 -0.73 -0.03 0.00 -2.23 0.00 0.00 60.65 57.59 3jwh s ILE 386 Cb 0.15 -1.00 0.05 0.00 -1.58 0.00 0.00 42.46 40.08 3jwh s ILE 386 CO 0.76 0.25 0.07 -0.69 -1.23 0.00 0.00 174.94 174.10 3jwh s VAL 387 N -0.47 -0.03 -0.23 2.92 1.01 -0.17 -1.83 120.40 121.60 3jwh s VAL 387 Ca 0.05 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 3jwh s VAL 387 Cb -0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 3jwh s VAL 387 CO -0.00 -0.07 0.07 -0.63 0.00 0.00 0.00 175.10 174.48 3jwh s ILE 388 N 2.13 4.47 -0.09 2.22 1.01 -0.97 -0.24 121.20 129.73 3jwh s ILE 388 Ca 0.03 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.58 3jwh s ILE 388 Cb -0.14 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.27 3jwh s ILE 388 CO -0.06 0.37 -0.16 -0.69 0.00 0.00 0.00 174.94 174.39 3jwh s VAL 389 N 1.30 1.48 0.19 2.92 1.01 0.21 -0.99 120.40 126.51 3jwh s VAL 389 Ca 0.05 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.46 3jwh s VAL 389 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3jwh s VAL 389 CO 0.04 0.43 -0.18 0.42 0.00 0.00 0.00 175.10 175.81 3jwh s THR 390 N 0.70 1.94 -0.07 3.92 -4.23 -1.03 0.11 115.64 116.98 3jwh s THR 390 Ca -0.13 -2.05 -0.30 0.00 -1.18 0.00 0.00 61.69 58.03 3jwh s THR 390 Cb -0.16 -1.97 0.09 0.00 1.34 0.00 0.00 72.50 71.81 3jwh s THR 390 CO 0.03 -0.36 0.81 0.28 -0.54 0.00 0.00 174.62 174.84 3jwh s THR 391 N -2.25 0.00 0.68 3.99 -1.32 0.09 -2.15 115.64 114.68 3jwh s THR 391 Ca 0.19 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.50 3jwh s THR 391 Cb -0.05 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.95 3jwh s THR 391 CO 0.08 0.00 1.24 -2.65 -2.21 0.00 0.00 174.62 171.08 3jwh n PRO 392 N 0.65 0.89 -3.45 7.08 -0.02 -1.26 -0.76 135.00 138.13 3jwh n PRO 392 Ca -0.15 0.36 -0.44 0.00 -2.02 0.00 0.00 63.50 61.26 3jwh n PRO 392 Cb 0.58 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 3jwh n PRO 392 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3jwh s ASN 393 N -1.52 6.23 0.44 2.55 2.47 0.93 -3.90 114.94 122.14 3jwh s ASN 393 Ca 0.80 -2.62 0.26 0.00 0.42 0.00 0.00 52.86 51.72 3jwh s ASN 393 Cb -0.36 -2.10 1.29 0.00 -1.45 0.00 0.00 41.25 38.63 3jwh s ASN 393 CO 0.43 -0.55 1.74 -0.29 -3.72 0.00 0.00 177.10 174.72 3jwh h ILE 394 N 5.09 0.40 -0.93 -5.21 2.10 -1.38 0.38 117.51 117.96 3jwh h ILE 394 Ca 0.02 -0.08 0.01 0.00 1.08 0.00 0.00 64.86 65.89 3jwh h ILE 394 Cb 1.02 0.15 -0.05 0.00 -1.09 0.00 0.00 36.82 36.86 3jwh h ILE 394 CO 0.77 0.04 0.62 -0.33 -1.08 0.00 0.00 178.15 178.17 3jwh h GLU 395 N 0.23 1.22 -0.17 2.19 5.08 -1.90 -0.53 114.58 120.69 3jwh h GLU 395 Ca 0.64 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.75 3jwh h GLU 395 Cb 1.96 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 3jwh h GLU 395 CO -0.25 0.80 -0.62 -0.92 -1.00 0.00 0.00 179.01 177.03 3jwh h TYR 396 N 1.25 0.77 0.00 4.33 3.20 -0.46 -3.11 116.97 122.96 3jwh h TYR 396 Ca 0.34 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3jwh h TYR 396 Cb -0.13 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.00 3jwh h TYR 396 CO -0.00 1.06 0.00 -0.91 -1.64 0.00 0.00 178.16 176.67 3jwh h ASN 397 N 0.44 0.00 0.02 -2.11 2.35 -1.01 -2.28 115.58 113.00 3jwh h ASN 397 Ca -0.01 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 3jwh h ASN 397 Cb 1.19 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.58 3jwh h ASN 397 CO 0.12 0.00 -0.61 -0.37 -1.65 0.00 0.00 177.43 174.92 3jwh h VAL 398 N 0.00 1.45 0.00 2.81 -1.51 -1.05 -3.40 116.25 114.55 3jwh h VAL 398 Ca 0.00 -2.14 0.00 0.00 -1.23 0.00 0.00 66.70 63.33 3jwh h VAL 398 Cb 0.70 2.70 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 3jwh h VAL 398 CO 0.00 0.62 0.00 1.17 -1.23 0.00 0.00 177.57 178.13 3jwh n LYS 399 N -4.23 0.00 0.12 5.19 4.81 -1.19 -5.12 118.16 117.75 3jwh n LYS 399 Ca -0.11 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.45 3jwh n LYS 399 Cb 0.68 -0.32 0.48 0.00 0.02 0.00 0.00 35.03 35.89 3jwh n LYS 399 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3jwh n PHE 400 N -0.18 0.78 0.00 5.64 0.99 -0.86 -5.11 117.46 118.72 3jwh n PHE 400 Ca 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 57.45 57.75 3jwh n PHE 400 Cb 0.00 -0.98 0.00 0.00 -1.00 0.00 0.00 39.48 37.50 3jwh n PHE 400 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3jwh n ARG 414 N -2.20 0.00 -0.01 -1.08 5.12 -1.26 -4.77 116.66 112.46 3jwh n ARG 414 Ca 0.03 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.98 3jwh n ARG 414 Cb 0.25 -0.89 0.20 0.00 -1.16 0.00 0.00 32.46 30.86 3jwh n ARG 414 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 3jwh n PHE 415 N -2.31 0.04 -0.75 -1.55 1.16 -1.26 -4.87 117.46 107.92 3jwh n PHE 415 Ca 0.00 -0.02 -0.29 0.00 -1.87 0.00 0.00 57.45 55.27 3jwh n PHE 415 Cb 0.40 0.00 0.21 0.00 -1.61 0.00 0.00 39.48 38.48 3jwh n PHE 415 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 3jwh s GLU 416 N -1.96 -0.08 0.20 3.97 2.02 -1.26 -4.91 118.70 116.68 3jwh s GLU 416 Ca 0.11 0.94 0.05 0.00 0.02 0.00 0.00 54.97 56.09 3jwh s GLU 416 Cb 0.05 -1.64 -0.03 0.00 0.10 0.00 0.00 34.13 32.60 3jwh s GLU 416 CO 0.09 -3.19 0.24 -1.58 0.02 0.00 0.00 175.26 170.84 3jwh s TRP 417 N -2.63 3.29 0.14 1.61 0.52 -1.25 -4.82 118.94 115.81 3jwh s TRP 417 Ca 0.67 -0.01 -0.00 0.00 0.02 0.00 0.00 56.10 56.78 3jwh s TRP 417 Cb -0.23 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 3jwh s TRP 417 CO 0.61 0.50 0.31 0.95 0.02 0.00 0.00 176.95 179.35 3jwh s THR 418 N -1.90 5.28 0.20 2.01 -4.23 -1.26 -1.04 115.64 114.70 3jwh s THR 418 Ca 0.33 -0.42 -0.11 0.00 -1.18 0.00 0.00 61.69 60.31 3jwh s THR 418 Cb -0.09 -3.70 0.16 0.00 1.34 0.00 0.00 72.50 70.20 3jwh s THR 418 CO 0.26 -0.05 1.69 0.03 -0.54 0.00 0.00 174.62 176.02 3jwh h ARG 419 N 2.40 0.20 0.35 3.99 3.08 -1.95 -1.12 114.38 121.32 3jwh h ARG 419 Ca -0.47 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 3jwh h ARG 419 Cb 1.18 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 3jwh h ARG 419 CO 0.71 0.13 -0.41 1.03 -1.07 0.00 0.00 179.97 180.36 3jwh h SER 420 N 0.20 -1.12 0.55 7.04 0.87 -2.00 -1.86 113.55 117.24 3jwh h SER 420 Ca 0.30 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 3jwh h SER 420 Cb 0.45 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3jwh h SER 420 CO -0.42 -0.54 0.00 0.00 -0.53 0.00 0.00 176.83 175.34 3jwh n GLN 421 N -5.49 0.02 -0.08 2.24 10.64 -1.04 -2.32 117.38 121.35 3jwh n GLN 421 Ca -0.10 0.25 -0.17 0.00 -1.83 0.00 0.00 57.00 55.16 3jwh n GLN 421 Cb 0.39 -1.54 -0.12 0.00 -0.86 0.00 0.00 30.24 28.11 3jwh n GLN 421 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 3jwh h PHE 422 N 0.00 0.00 0.00 2.61 3.57 -0.69 -2.74 116.94 119.68 3jwh h PHE 422 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3jwh h PHE 422 Cb 0.27 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 3jwh h PHE 422 CO 0.00 1.16 -0.07 1.96 -2.23 0.00 0.00 178.31 179.13 3jwh h GLN 423 N -1.00 0.00 0.06 1.11 4.20 -1.26 -0.23 115.11 117.99 3jwh h GLN 423 Ca -0.12 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3jwh h GLN 423 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3jwh h GLN 423 CO -0.07 0.07 -0.03 -0.91 -0.67 0.00 0.00 178.83 177.22 3jwh h ASN 424 N 0.00 -0.07 -0.74 1.46 2.35 -1.54 -1.37 115.58 115.68 3jwh h ASN 424 Ca -0.00 -0.58 0.13 0.00 -0.55 0.00 0.00 56.30 55.30 3jwh h ASN 424 Cb 0.25 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.55 3jwh h ASN 424 CO 0.01 0.61 0.32 -0.25 -1.65 0.00 0.00 177.43 176.47 3jwh h TRP 425 N -0.81 0.56 -0.52 1.19 7.01 -1.10 0.24 115.95 122.51 3jwh h TRP 425 Ca -0.01 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 3jwh h TRP 425 Cb 0.64 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 3jwh h TRP 425 CO 0.15 0.12 0.05 0.00 -2.79 0.00 0.00 178.44 175.96 3jwh h ALA 426 N 1.51 1.10 -0.04 2.65 0.00 -1.08 -2.13 119.26 121.26 3jwh h ALA 426 Ca 0.39 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3jwh h ALA 426 Cb 0.54 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3jwh h ALA 426 CO -0.36 0.58 -0.76 -0.91 0.00 0.00 0.00 179.25 177.80 3jwh h ASN 427 N 0.80 0.36 0.49 0.00 2.35 0.14 -2.64 115.58 117.08 3jwh h ASN 427 Ca 0.16 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3jwh h ASN 427 Cb 0.41 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3jwh h ASN 427 CO 0.01 0.99 -0.23 0.11 -1.65 0.00 0.00 177.43 176.67 3jwh h LYS 428 N 0.19 0.00 -0.21 0.81 1.79 -0.37 -2.07 116.57 116.72 3jwh h LYS 428 Ca -0.03 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 3jwh h LYS 428 Cb 1.34 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.99 3jwh h LYS 428 CO 0.12 0.23 -0.08 0.82 -1.08 0.00 0.00 179.45 179.46 3jwh h ILE 429 N 0.00 1.30 0.00 1.86 1.08 -1.04 -2.65 117.51 118.06 3jwh h ILE 429 Ca -0.00 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 3jwh h ILE 429 Cb 0.54 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.88 3jwh h ILE 429 CO 0.03 0.34 0.00 0.35 -0.69 0.00 0.00 178.15 178.18 3jwh n THR 430 N -4.56 1.10 -0.02 -0.27 -2.24 -0.82 -0.30 114.28 107.16 3jwh n THR 430 Ca -0.05 0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 62.01 3jwh n THR 430 Cb 0.31 -1.31 -0.14 0.00 -2.10 0.00 0.00 70.33 67.09 3jwh n THR 430 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jwh n GLU 431 N -1.95 0.66 -0.06 -0.78 1.02 -0.96 -4.38 120.64 114.18 3jwh n GLU 431 Ca 0.01 0.27 -0.08 0.00 -0.02 0.00 0.00 57.16 57.35 3jwh n GLU 431 Cb 0.13 -1.76 -0.15 0.00 -0.02 0.00 0.00 31.44 29.65 3jwh n GLU 431 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3jwh n ARG 432 N -3.13 0.67 -4.38 3.49 1.74 -0.97 -4.98 116.66 109.10 3jwh n ARG 432 Ca -0.21 0.08 -0.26 0.00 -0.77 0.00 0.00 57.85 56.68 3jwh n ARG 432 Cb 1.06 -1.62 -0.11 0.00 -1.02 0.00 0.00 32.46 30.77 3jwh n ARG 432 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3jwh s PHE 433 N -2.61 2.43 -0.40 -1.55 0.08 0.59 -5.03 117.98 111.48 3jwh s PHE 433 Ca -0.08 -0.30 -0.04 0.00 0.12 0.00 0.00 56.93 56.63 3jwh s PHE 433 Cb 0.07 -1.18 -0.08 0.00 -0.57 0.00 0.00 43.02 41.26 3jwh s PHE 433 CO 0.83 0.53 1.96 0.00 -0.10 0.00 0.00 175.22 178.45 3jwh n ALA 434 N 0.04 3.86 -2.16 5.36 0.00 -1.26 -4.44 120.51 121.90 3jwh n ALA 434 Ca -0.11 -1.29 -0.10 0.00 0.00 0.00 0.00 53.44 51.94 3jwh n ALA 434 Cb 0.56 -2.61 -0.10 0.00 0.00 0.00 0.00 19.45 17.30 3jwh n ALA 434 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3jwh s TYR 435 N 2.87 0.87 0.21 0.00 1.51 -1.26 -1.96 117.35 119.59 3jwh s TYR 435 Ca 0.33 -0.93 0.11 0.00 -1.01 0.00 0.00 57.07 55.57 3jwh s TYR 435 Cb 0.12 -0.51 -0.05 0.00 -0.11 0.00 0.00 41.96 41.41 3jwh s TYR 435 CO -0.01 -0.17 -0.22 -0.80 -1.11 0.00 0.00 175.55 173.24 3jwh s ASN 436 N -3.04 3.55 0.03 2.29 0.02 -0.86 -4.49 114.94 112.44 3jwh s ASN 436 Ca 0.12 -0.87 0.01 0.00 -1.02 0.00 0.00 52.86 51.10 3jwh s ASN 436 Cb 0.06 -0.31 -0.02 0.00 0.02 0.00 0.00 41.25 40.99 3jwh s ASN 436 CO -0.05 0.10 -0.06 0.54 0.02 0.00 0.00 177.10 177.65 3jwh s VAL 437 N -1.85 0.39 0.20 1.60 0.11 -1.26 -0.87 120.40 118.72 3jwh s VAL 437 Ca 0.23 -0.90 0.08 0.00 -2.93 0.00 0.00 61.98 58.46 3jwh s VAL 437 Cb -0.07 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 3jwh s VAL 437 CO 0.11 -0.35 -0.16 -1.10 -3.33 0.00 0.00 175.10 170.28 3jwh s GLN 438 N -1.33 1.33 0.01 1.54 -1.52 -0.81 -4.98 119.66 113.90 3jwh s GLN 438 Ca -0.10 -1.55 0.08 0.00 -1.95 0.00 0.00 55.36 51.84 3jwh s GLN 438 Cb -0.09 -1.21 -0.03 0.00 -0.22 0.00 0.00 33.01 31.47 3jwh s GLN 438 CO -0.00 0.21 -0.24 -0.06 -0.25 0.00 0.00 175.29 174.96 3jwh s PHE 439 N -2.70 2.40 -0.28 0.91 0.08 -1.26 -1.72 117.98 115.41 3jwh s PHE 439 Ca 0.21 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.85 3jwh s PHE 439 Cb -0.02 -1.47 0.10 0.00 -0.57 0.00 0.00 43.02 41.05 3jwh s PHE 439 CO 0.07 0.08 0.12 -0.65 -0.10 0.00 0.00 175.22 174.75 3jwh s GLN 440 N -0.95 0.23 0.59 0.44 -0.21 -0.44 -5.01 119.66 114.31 3jwh s GLN 440 Ca 0.11 -0.54 -0.20 0.00 0.02 0.00 0.00 55.36 54.76 3jwh s GLN 440 Cb -0.10 -1.32 -0.04 0.00 1.00 0.00 0.00 33.01 32.55 3jwh s GLN 440 CO 0.01 -0.98 1.28 -2.30 -2.12 0.00 0.00 175.29 171.18 3jwh n PRO 441 N 5.21 1.38 -3.73 2.91 -0.02 -1.26 -3.21 135.00 136.28 3jwh n PRO 441 Ca -0.06 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 61.81 3jwh n PRO 441 Cb 0.43 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 3jwh n PRO 441 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3jwh s ILE 442 N -1.35 -0.08 0.00 4.25 1.01 -0.79 -4.94 121.20 119.29 3jwh s ILE 442 Ca 0.76 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.59 3jwh s ILE 442 Cb -0.41 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 41.74 3jwh s ILE 442 CO 0.46 0.08 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3jwh n GLY 443 N 4.37 0.64 0.76 6.18 0.00 -1.26 -1.44 105.19 114.43 3jwh n GLY 443 Ca -0.23 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.08 3jwh n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jwh n GLU 444 N 0.00 2.51 0.00 1.61 1.02 -1.26 -4.97 120.64 119.55 3jwh n GLU 444 Ca 0.00 -2.83 0.00 0.00 -0.02 0.00 0.00 57.16 54.31 3jwh n GLU 444 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 3jwh n GLU 444 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3jwh n ALA 445 N -0.75 0.00 -2.39 0.62 0.00 -1.26 -4.89 120.51 111.85 3jwh n ALA 445 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.62 3jwh n ALA 445 Cb 0.86 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.28 3jwh n ALA 445 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3jwh n ASP 446 N 6.14 -2.50 -4.62 0.00 -0.08 -1.26 -2.80 116.55 111.43 3jwh n ASP 446 Ca 0.00 1.08 -0.30 0.00 -1.51 0.00 0.00 54.79 54.06 3jwh n ASP 446 Cb 0.00 -4.38 0.19 0.00 2.34 0.00 0.00 41.12 39.27 3jwh n ASP 446 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3jwh s PRO 447 N -0.91 0.46 -0.07 -0.67 0.04 -1.26 -0.80 135.00 131.79 3jwh s PRO 447 Ca -0.16 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3jwh s PRO 447 Cb 0.01 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.87 3jwh s PRO 447 CO 0.63 -2.94 0.00 0.39 0.04 0.00 0.00 177.00 175.11 3jwh n GLU 448 N -4.43 -1.69 0.00 4.56 1.02 -1.26 -4.47 120.64 114.37 3jwh n GLU 448 Ca 0.09 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 3jwh n GLU 448 Cb 0.53 -4.73 0.00 0.00 -0.02 0.00 0.00 31.44 27.22 3jwh n GLU 448 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3jwh n VAL 449 N -2.16 0.00 0.00 2.62 0.31 -1.14 -5.14 118.33 112.82 3jwh n VAL 449 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3jwh n VAL 449 Cb 0.43 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 3jwh n VAL 449 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jwh n GLY 450 N 0.68 -0.44 3.82 2.92 0.00 0.02 -4.45 105.19 107.74 3jwh n GLY 450 Ca 0.00 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 3jwh n GLY 450 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jwh s SER 451 N -2.24 6.24 0.41 1.61 0.01 -1.12 -4.49 113.70 114.12 3jwh s SER 451 Ca 0.00 1.69 0.10 0.00 1.31 0.00 0.00 55.95 59.05 3jwh s SER 451 Cb 0.00 -2.52 0.87 0.00 0.21 0.00 0.00 66.02 64.58 3jwh s SER 451 CO 0.00 -0.85 1.97 1.55 0.41 0.00 0.00 173.24 176.31 3jwh h PRO 452 N 0.71 0.22 -5.31 12.44 0.13 -1.83 -3.43 132.00 134.93 3jwh h PRO 452 Ca -0.47 -0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 63.95 3jwh h PRO 452 Cb 1.20 -0.04 -0.31 0.00 0.13 0.00 0.00 31.00 31.99 3jwh h PRO 452 CO 0.60 0.31 -0.83 0.99 -0.23 0.00 0.00 178.00 178.83 3jwh s THR 453 N -4.85 2.44 -0.19 1.56 2.01 -0.52 -0.05 115.64 116.04 3jwh s THR 453 Ca -0.06 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 60.97 3jwh s THR 453 Cb 0.16 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 3jwh s THR 453 CO 0.72 0.54 0.15 -1.10 -0.69 0.00 0.00 174.62 174.24 3jwh s GLN 454 N 0.40 4.12 -0.06 4.92 -0.21 0.06 -1.88 119.66 127.01 3jwh s GLN 454 Ca -0.15 -0.18 0.05 0.00 0.02 0.00 0.00 55.36 55.10 3jwh s GLN 454 Cb -0.17 -3.40 -0.00 0.00 1.00 0.00 0.00 33.01 30.44 3jwh s GLN 454 CO 0.07 0.35 -0.21 1.41 -2.12 0.00 0.00 175.29 174.79 3jwh s MET 455 N 0.22 2.20 -0.12 2.91 1.75 -1.20 -0.73 119.30 124.33 3jwh s MET 455 Ca 0.10 -0.74 0.03 0.00 -1.25 0.00 0.00 55.69 53.83 3jwh s MET 455 Cb -0.11 -1.85 0.01 0.00 2.84 0.00 0.00 34.83 35.71 3jwh s MET 455 CO -0.01 0.27 -0.22 0.00 -0.65 0.00 0.00 175.02 174.42 3jwh s ALA 456 N 0.03 2.14 -0.36 4.11 0.00 0.30 -1.33 121.76 126.65 3jwh s ALA 456 Ca -0.06 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 3jwh s ALA 456 Cb -0.13 -0.89 0.06 0.00 0.00 0.00 0.00 23.12 22.15 3jwh s ALA 456 CO 0.04 0.10 0.13 0.08 0.00 0.00 0.00 175.76 176.11 3jwh s VAL 457 N 0.64 3.64 -0.21 0.00 1.01 -0.70 -0.62 120.40 124.16 3jwh s VAL 457 Ca -0.12 -1.39 -0.18 0.00 0.00 0.00 0.00 61.98 60.29 3jwh s VAL 457 Cb -0.16 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3jwh s VAL 457 CO 0.03 -0.32 0.49 -0.36 0.00 0.00 0.00 175.10 174.93 3jwh s PHE 458 N 1.33 3.35 -0.25 5.22 0.40 0.67 -1.92 117.98 126.78 3jwh s PHE 458 Ca 0.00 0.70 -0.01 0.00 -0.60 0.00 0.00 56.93 57.02 3jwh s PHE 458 Cb -0.21 -2.64 0.03 0.00 0.51 0.00 0.00 43.02 40.71 3jwh s PHE 458 CO 0.01 -0.12 -0.06 0.42 0.70 0.00 0.00 175.22 176.17 3jwh s ILE 459 N 1.70 2.84 0.74 0.64 1.01 -0.04 -0.99 121.20 127.10 3jwh s ILE 459 Ca 0.22 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 3jwh s ILE 459 Cb -0.15 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 3jwh s ILE 459 CO 0.09 0.15 0.73 1.57 0.00 0.00 0.00 174.94 177.49 3jwh n HIS 460 N 4.65 -0.15 -3.14 3.97 -0.00 0.17 -2.03 115.22 118.69 3jwh n HIS 460 Ca -0.16 0.36 -0.36 0.00 -0.00 0.00 0.00 57.72 57.56 3jwh n HIS 460 Cb 0.46 -1.98 -0.06 0.00 -0.00 0.00 0.00 29.99 28.41 3jwh n HIS 460 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3jwh s ARG 461 N -3.12 4.22 0.60 1.57 0.52 -0.83 -4.80 118.95 117.10 3jwh s ARG 461 Ca 0.68 0.81 -0.19 0.00 -0.52 0.00 0.00 55.73 56.52 3jwh s ARG 461 Cb -0.33 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 3jwh s ARG 461 CO 0.55 0.42 1.20 0.20 0.02 0.00 0.00 175.30 177.70 3jwh s GLY 462 N -1.62 2.71 0.00 -3.53 0.00 -1.26 -5.03 107.32 98.59 3jwh s GLY 462 Ca 0.41 0.99 0.32 0.00 0.00 0.00 0.00 44.72 46.44 3jwh s GLY 462 CO 0.21 1.37 2.22 -2.39 0.00 0.00 0.00 173.10 174.51