#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk0 s VAL 295 N 0.00 4.22 0.67 5.18 0.11 -1.26 -4.63 120.40 124.69 1pk0 s VAL 295 Ca 0.00 -0.64 -0.14 0.00 -2.93 0.00 0.00 61.98 58.27 1pk0 s VAL 295 Cb 0.00 -2.91 0.01 0.00 -1.53 0.00 0.00 36.38 31.94 1pk0 s VAL 295 CO 0.00 0.32 1.09 -0.76 -3.33 0.00 0.00 175.10 172.43 1pk0 s LEU 296 N -1.73 3.32 0.05 2.54 1.43 -1.13 -4.83 118.68 118.33 1pk0 s LEU 296 Ca 0.21 1.91 0.02 0.00 -1.03 0.00 0.00 54.13 55.24 1pk0 s LEU 296 Cb -0.12 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.54 1pk0 s LEU 296 CO 0.12 -1.63 -0.07 -0.54 0.23 0.00 0.00 176.35 174.47 1pk0 s LYS 297 N -4.31 0.58 0.60 1.70 1.02 -1.26 -1.69 119.74 116.37 1pk0 s LYS 297 Ca 0.65 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1pk0 s LYS 297 Cb -0.19 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 36.91 1pk0 s LYS 297 CO 0.45 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 1pk0 n GLY 298 N 1.09 0.50 0.00 -3.33 0.00 -0.15 -3.49 105.19 99.81 1pk0 n GLY 298 Ca -0.20 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1pk0 n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pk0 n GLU 299 N -0.05 0.00 -0.25 1.61 4.07 -1.26 0.26 120.64 125.02 1pk0 n GLU 299 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 1pk0 n GLU 299 Cb 0.00 0.00 0.17 0.00 -0.06 0.00 0.00 31.44 31.55 1pk0 n GLU 299 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1pk0 h LYS 300 N 0.00 0.46 -0.08 5.31 1.57 -1.98 0.18 116.57 122.03 1pk0 h LYS 300 Ca 0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1pk0 h LYS 300 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1pk0 h LYS 300 CO 0.00 0.30 -0.11 0.00 -0.57 0.00 0.00 179.45 179.07 1pk0 h ALA 301 N 1.51 0.12 -0.97 3.86 0.00 0.35 -2.96 119.26 121.17 1pk0 h ALA 301 Ca 0.39 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1pk0 h ALA 301 Cb 0.54 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1pk0 h ALA 301 CO -0.36 -0.01 0.61 1.25 0.00 0.00 0.00 179.25 180.74 1pk0 h LEU 302 N -0.22 0.82 -0.79 0.00 5.85 -0.91 0.12 115.31 120.17 1pk0 h LEU 302 Ca 0.01 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1pk0 h LEU 302 Cb 0.66 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 1pk0 h LEU 302 CO 0.03 0.41 0.45 0.50 -0.34 0.00 0.00 178.44 179.49 1pk0 h LYS 303 N 0.87 0.75 0.00 1.25 3.64 -0.51 -2.05 116.57 120.52 1pk0 h LYS 303 Ca 0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1pk0 h LYS 303 Cb 0.62 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1pk0 h LYS 303 CO -0.26 0.49 -0.34 0.00 -2.27 0.00 0.00 179.45 177.07 1pk0 h ALA 304 N 1.43 0.79 -0.29 5.00 0.00 -0.73 -3.34 119.26 122.12 1pk0 h ALA 304 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1pk0 h ALA 304 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1pk0 h ALA 304 CO -0.23 0.00 -0.23 0.66 0.00 0.00 0.00 179.25 179.45 1pk0 h SER 305 N 0.00 0.56 0.00 0.00 4.64 -0.16 -3.45 113.55 115.15 1pk0 h SER 305 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1pk0 h SER 305 Cb 0.82 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1pk0 h SER 305 CO 0.00 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 1pk0 n GLY 306 N -0.37 2.16 3.77 -0.77 0.00 -1.22 -2.63 105.19 106.14 1pk0 n GLY 306 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pk0 n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk0 s LEU 307 N 0.00 3.27 -0.13 0.99 1.02 -1.26 -4.45 118.68 118.12 1pk0 s LEU 307 Ca 0.00 1.92 -0.29 0.00 0.02 0.00 0.00 54.13 55.77 1pk0 s LEU 307 Cb 0.00 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 41.65 1pk0 s LEU 307 CO 0.00 -1.73 1.26 -0.69 0.02 0.00 0.00 176.35 175.21 1pk0 s VAL 308 N -2.56 4.24 0.11 -1.59 1.01 -1.26 -4.89 120.40 115.46 1pk0 s VAL 308 Ca 0.64 1.53 -0.21 0.00 0.00 0.00 0.00 61.98 63.94 1pk0 s VAL 308 Cb -0.19 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1pk0 s VAL 308 CO 0.46 -0.09 1.14 -2.65 0.00 0.00 0.00 175.10 173.97 1pk0 n PRO 309 N 6.17 -0.30 -0.27 2.72 -0.02 -1.26 0.49 135.00 142.54 1pk0 n PRO 309 Ca 0.13 1.12 0.08 0.00 -2.02 0.00 0.00 63.50 62.82 1pk0 n PRO 309 Cb 0.45 -1.65 0.22 0.00 -0.02 0.00 0.00 33.50 32.50 1pk0 n PRO 309 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pk0 h GLU 310 N 0.00 0.24 -0.71 -0.52 3.07 -1.99 0.14 114.58 114.80 1pk0 h GLU 310 Ca 0.11 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1pk0 h GLU 310 Cb 0.28 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 1pk0 h GLU 310 CO -0.63 0.16 0.36 0.45 -1.40 0.00 0.00 179.01 177.94 1pk0 h HIS 311 N 0.24 1.01 0.28 4.33 3.86 -0.34 0.11 115.15 124.64 1pk0 h HIS 311 Ca 0.47 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.62 1pk0 h HIS 311 Cb 0.85 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1pk0 h HIS 311 CO -0.27 0.74 -0.13 0.00 0.86 0.00 0.00 177.93 179.12 1pk0 h ALA 312 N 1.18 -0.37 -0.55 2.45 0.00 0.50 -0.54 119.26 121.92 1pk0 h ALA 312 Ca 0.25 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1pk0 h ALA 312 Cb 0.09 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 1pk0 h ALA 312 CO -0.03 -0.60 -0.01 -0.44 0.00 0.00 0.00 179.25 178.16 1pk0 h ASP 313 N -0.59 -0.27 -0.30 0.00 3.45 -0.81 0.94 116.42 118.84 1pk0 h ASP 313 Ca -0.04 0.14 0.09 0.00 0.43 0.00 0.00 57.03 57.65 1pk0 h ASP 313 Cb 0.43 0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 1pk0 h ASP 313 CO 0.06 -0.10 0.22 0.00 -1.57 0.00 0.00 179.24 177.86 1pk0 h ALA 314 N 1.50 2.24 -0.04 3.45 0.00 -0.53 -1.57 119.26 124.31 1pk0 h ALA 314 Ca 0.28 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 1pk0 h ALA 314 Cb 0.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1pk0 h ALA 314 CO -0.48 -0.38 -0.79 0.74 0.00 0.00 0.00 179.25 178.35 1pk0 h PHE 315 N 0.00 0.46 -0.75 0.00 0.05 0.25 -3.16 116.94 113.79 1pk0 h PHE 315 Ca 0.14 -0.22 0.17 0.00 3.82 0.00 0.00 57.97 61.88 1pk0 h PHE 315 Cb 0.59 -0.06 -0.12 0.00 2.00 0.00 0.00 35.95 38.35 1pk0 h PHE 315 CO 0.00 0.99 0.10 0.87 -0.18 0.00 0.00 178.31 180.09 1pk0 h LYS 316 N 0.21 0.18 -0.43 1.51 1.57 -0.40 0.21 116.57 119.41 1pk0 h LYS 316 Ca -0.04 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1pk0 h LYS 316 Cb 1.38 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.55 1pk0 h LYS 316 CO 0.13 0.12 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.54 1pk0 h LYS 317 N 0.18 -0.26 -0.29 3.15 1.63 -1.60 -0.71 116.57 118.68 1pk0 h LYS 317 Ca 0.43 0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 60.13 1pk0 h LYS 317 Cb 0.76 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 1pk0 h LYS 317 CO -0.59 -0.17 -0.30 0.82 -3.45 0.00 0.00 179.45 175.76 1pk0 h ILE 318 N -0.27 1.28 -0.31 2.00 5.03 -1.14 -0.59 117.51 123.51 1pk0 h ILE 318 Ca 0.17 -1.40 0.00 0.00 -0.12 0.00 0.00 64.86 63.51 1pk0 h ILE 318 Cb 0.56 1.38 -0.02 0.00 -3.03 0.00 0.00 36.82 35.72 1pk0 h ILE 318 CO -0.57 0.45 0.20 0.00 -0.68 0.00 0.00 178.15 177.55 1pk0 h ALA 319 N 1.16 0.39 0.45 1.87 0.00 -0.61 -1.61 119.26 120.91 1pk0 h ALA 319 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1pk0 h ALA 319 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1pk0 h ALA 319 CO 0.06 -0.14 -0.22 -0.09 0.00 0.00 0.00 179.25 178.86 1pk0 h ARG 320 N 0.41 -0.58 -0.78 0.00 2.43 -1.00 -0.90 114.38 113.95 1pk0 h ARG 320 Ca 0.11 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.51 1pk0 h ARG 320 Cb -0.04 0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 29.50 1pk0 h ARG 320 CO -0.02 -0.39 0.05 1.49 -1.51 0.00 0.00 179.97 179.59 1pk0 h GLU 321 N -0.83 0.12 -0.36 0.20 4.81 -1.15 0.69 114.58 118.05 1pk0 h GLU 321 Ca -0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1pk0 h GLU 321 Cb 0.46 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1pk0 h GLU 321 CO 0.10 0.08 0.00 1.28 -0.73 0.00 0.00 179.01 179.74 1pk0 n LEU 322 N -5.33 2.44 -3.65 1.64 4.77 -0.61 -4.98 117.00 111.29 1pk0 n LEU 322 Ca 0.15 -1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 54.70 1pk0 n LEU 322 Cb 0.52 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1pk0 n LEU 322 CO 0.05 0.57 -0.26 -3.20 -1.33 0.00 0.00 177.39 173.21 1pk0 n ASN 323 N 0.83 -4.91 -3.66 -1.43 4.05 0.23 -4.42 115.26 105.94 1pk0 n ASN 323 Ca 0.17 -0.65 -0.10 0.00 0.45 0.00 0.00 54.58 54.45 1pk0 n ASN 323 Cb 0.42 -1.55 -0.08 0.00 1.23 0.00 0.00 39.78 39.80 1pk0 n ASN 323 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1pk0 s THR 324 N -2.35 -0.00 0.28 -0.44 -1.32 -0.56 0.61 115.64 111.85 1pk0 s THR 324 Ca 0.15 0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.35 1pk0 s THR 324 Cb -0.02 -0.88 -0.10 0.00 -1.51 0.00 0.00 72.50 70.00 1pk0 s THR 324 CO 0.87 0.01 1.09 -0.31 -2.21 0.00 0.00 174.62 174.06 1pk0 s TYR 325 N 1.13 3.61 -0.15 9.09 1.51 0.11 -4.13 117.35 128.52 1pk0 s TYR 325 Ca -0.06 1.72 0.02 0.00 -1.01 0.00 0.00 57.07 57.73 1pk0 s TYR 325 Cb -0.05 -3.26 0.02 0.00 -0.11 0.00 0.00 41.96 38.55 1pk0 s TYR 325 CO -0.11 -0.47 -0.19 0.42 -1.11 0.00 0.00 175.55 174.09 1pk0 s ILE 326 N -1.17 1.86 -0.13 2.71 1.01 -0.48 -1.74 121.20 123.27 1pk0 s ILE 326 Ca 0.44 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1pk0 s ILE 326 Cb -0.31 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.49 1pk0 s ILE 326 CO 0.40 0.51 -0.20 -0.76 0.00 0.00 0.00 174.94 174.89 1pk0 s LEU 327 N 1.09 2.01 0.03 2.97 1.02 -0.35 -0.48 118.68 124.97 1pk0 s LEU 327 Ca -0.02 -0.56 0.03 0.00 0.02 0.00 0.00 54.13 53.61 1pk0 s LEU 327 Cb -0.14 -1.35 -0.04 0.00 0.02 0.00 0.00 46.19 44.68 1pk0 s LEU 327 CO -0.06 0.07 -0.04 -0.36 0.02 0.00 0.00 176.35 175.98 1pk0 s PHE 328 N 0.84 2.95 0.62 0.29 0.40 0.11 0.19 117.98 123.38 1pk0 s PHE 328 Ca -0.07 -0.01 -0.09 0.00 -0.60 0.00 0.00 56.93 56.15 1pk0 s PHE 328 Cb -0.15 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 1pk0 s PHE 328 CO -0.01 0.42 0.99 1.03 0.70 0.00 0.00 175.22 178.35 1pk0 s ARG 329 N -1.69 3.28 0.78 0.44 0.52 -0.11 -1.25 118.95 120.92 1pk0 s ARG 329 Ca 0.20 0.46 -0.16 0.00 -0.52 0.00 0.00 55.73 55.71 1pk0 s ARG 329 Cb -0.11 -2.14 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 1pk0 s ARG 329 CO 0.11 -0.66 0.29 -2.30 0.02 0.00 0.00 175.30 172.76 1pk0 n PRO 330 N -2.71 0.12 -4.68 3.54 -0.02 -1.25 -4.73 135.00 125.27 1pk0 n PRO 330 Ca 0.05 0.08 -0.26 0.00 -2.02 0.00 0.00 63.50 61.34 1pk0 n PRO 330 Cb 0.56 -1.66 -0.17 0.00 -0.02 0.00 0.00 33.50 32.21 1pk0 n PRO 330 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pk0 s VAL 331 N -2.03 1.35 -0.41 -1.45 1.01 -1.08 -4.80 120.40 112.99 1pk0 s VAL 331 Ca 0.60 -0.60 -0.41 0.00 0.00 0.00 0.00 61.98 61.58 1pk0 s VAL 331 Cb -0.31 -1.21 -0.16 0.00 0.00 0.00 0.00 36.38 34.69 1pk0 s VAL 331 CO 0.64 0.40 2.04 -3.20 0.00 0.00 0.00 175.10 174.98 1pk0 n ASN 332 N 3.82 1.53 -0.35 3.32 5.15 -1.26 -4.45 115.26 123.02 1pk0 n ASN 332 Ca -0.22 0.70 0.02 0.00 -0.60 0.00 0.00 54.58 54.49 1pk0 n ASN 332 Cb 0.52 -1.06 0.17 0.00 -0.53 0.00 0.00 39.78 38.88 1pk0 n ASN 332 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1pk0 h LYS 333 N 9.46 1.05 0.00 1.20 1.57 -1.94 0.40 116.57 128.31 1pk0 h LYS 333 Ca -0.25 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1pk0 h LYS 333 Cb 1.37 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1pk0 h LYS 333 CO 1.03 0.69 0.00 1.28 -0.57 0.00 0.00 179.45 181.89 1pk0 n LEU 334 N -4.56 0.00 -0.09 2.94 7.99 -1.26 -2.16 117.00 119.86 1pk0 n LEU 334 Ca 0.15 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 56.06 1pk0 n LEU 334 Cb 0.20 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.37 1pk0 n LEU 334 CO 0.31 0.00 -1.08 0.00 -1.51 0.00 0.00 177.39 175.11 1pk0 n ALA 335 N -0.74 1.56 -0.11 -1.18 0.00 0.14 -3.87 120.51 116.30 1pk0 n ALA 335 Ca 0.07 -1.16 -0.03 0.00 0.00 0.00 0.00 53.44 52.32 1pk0 n ALA 335 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 1pk0 n ALA 335 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1pk0 n THR 336 N -2.68 -0.18 -0.20 0.00 -1.04 -0.92 -0.82 114.28 108.45 1pk0 n THR 336 Ca -0.29 1.61 0.01 0.00 -2.04 0.00 0.00 64.05 63.34 1pk0 n THR 336 Cb 1.07 -2.09 0.11 0.00 -1.82 0.00 0.00 70.33 67.60 1pk0 n THR 336 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1pk0 h ASN 337 N 0.00 0.03 -0.22 8.00 2.35 -1.83 0.10 115.58 124.01 1pk0 h ASN 337 Ca 0.04 0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 1pk0 h ASN 337 Cb 0.11 0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 1pk0 h ASN 337 CO -0.25 0.02 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.40 1pk0 h LEU 338 N 0.28 -0.27 0.03 1.61 3.38 -1.53 0.49 115.31 119.29 1pk0 h LEU 338 Ca 0.31 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.38 1pk0 h LEU 338 Cb 0.46 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1pk0 h LEU 338 CO -0.39 -0.10 -0.47 0.40 0.09 0.00 0.00 178.44 177.97 1pk0 h ILE 339 N -0.04 0.09 -0.97 1.22 2.04 0.10 -1.30 117.51 118.65 1pk0 h ILE 339 Ca 0.11 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.20 1pk0 h ILE 339 Cb 0.21 0.09 -0.12 0.00 -0.74 0.00 0.00 36.82 36.25 1pk0 h ILE 339 CO -0.25 0.00 0.53 0.50 0.00 0.00 0.00 178.15 178.94 1pk0 h LYS 340 N -0.64 0.53 -0.82 2.37 3.64 -0.11 0.53 116.57 122.07 1pk0 h LYS 340 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pk0 h LYS 340 Cb 0.69 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1pk0 h LYS 340 CO -0.32 0.35 0.00 -1.13 -2.27 0.00 0.00 179.45 176.08 1pk0 n SER 341 N -4.92 0.96 -0.17 4.20 3.41 0.09 -4.80 113.62 112.39 1pk0 n SER 341 Ca 0.25 -1.47 -0.02 0.00 -0.26 0.00 0.00 58.87 57.36 1pk0 n SER 341 Cb 0.70 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 1pk0 n SER 341 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pk0 n GLY 342 N 0.21 0.56 3.78 5.00 0.00 0.18 -4.95 105.19 109.97 1pk0 n GLY 342 Ca 0.00 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1pk0 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk0 s VAL 343 N -2.02 3.50 0.51 1.61 1.01 -1.03 -2.52 120.40 121.47 1pk0 s VAL 343 Ca 0.00 1.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.92 1pk0 s VAL 343 Cb 0.00 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1pk0 s VAL 343 CO 0.00 -0.00 1.06 0.00 0.00 0.00 0.00 175.10 176.16 1pk0 s ALA 344 N -1.62 2.82 0.16 5.51 0.00 -1.25 -4.68 121.76 122.69 1pk0 s ALA 344 Ca 0.60 0.64 0.04 0.00 0.00 0.00 0.00 51.96 53.24 1pk0 s ALA 344 Cb -0.24 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1pk0 s ALA 344 CO 0.30 -0.47 0.18 0.95 0.00 0.00 0.00 175.76 176.72 1pk0 s THR 345 N -1.97 4.71 0.05 0.00 -4.23 -1.26 -0.27 115.64 112.66 1pk0 s THR 345 Ca 0.68 -0.98 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 1pk0 s THR 345 Cb -0.18 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 1pk0 s THR 345 CO 0.23 -0.11 1.05 -1.59 -0.54 0.00 0.00 174.62 173.66 1pk0 s LYS 346 N -3.15 4.55 0.15 3.99 -2.85 -0.55 -4.79 119.74 117.09 1pk0 s LYS 346 Ca 0.32 1.54 0.01 0.00 -1.00 0.00 0.00 55.97 56.84 1pk0 s LYS 346 Cb -0.10 -3.40 0.03 0.00 -2.06 0.00 0.00 37.83 32.29 1pk0 s LYS 346 CO 0.25 -0.06 0.21 0.41 0.10 0.00 0.00 175.35 176.26 1pk0 n GLY 347 N 2.82 1.34 0.00 0.59 0.00 -1.26 -4.64 105.19 104.03 1pk0 n GLY 347 Ca 0.06 -2.06 0.03 0.00 0.00 0.00 0.00 46.02 44.05 1pk0 n GLY 347 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pk0 n LEU 348 N 0.00 0.00 -0.38 0.99 4.77 -1.26 -0.89 117.00 120.23 1pk0 n LEU 348 Ca 0.04 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1pk0 n LEU 348 Cb 0.14 -0.38 0.57 0.00 -2.33 0.00 0.00 43.42 41.42 1pk0 n LEU 348 CO 0.09 -0.30 0.89 -0.46 -1.33 0.00 0.00 177.39 176.29 1pk0 n ASN 349 N -1.38 1.18 -3.78 -1.43 0.23 -1.26 -4.63 115.26 104.19 1pk0 n ASN 349 Ca 0.02 -1.45 -0.27 0.00 -0.53 0.00 0.00 54.58 52.36 1pk0 n ASN 349 Cb 0.06 -0.02 -0.17 0.00 -2.08 0.00 0.00 39.78 37.57 1pk0 n ASN 349 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1pk0 s VAL 350 N -1.96 0.65 -0.68 3.53 1.01 -0.06 -4.65 120.40 118.24 1pk0 s VAL 350 Ca 0.38 -0.51 0.11 0.00 0.00 0.00 0.00 61.98 61.96 1pk0 s VAL 350 Cb 0.20 -1.04 0.32 0.00 0.00 0.00 0.00 36.38 35.85 1pk0 s VAL 350 CO 0.32 -0.09 1.26 1.41 0.00 0.00 0.00 175.10 178.00 1pk0 n HIS 351 N 5.01 0.50 -2.49 5.22 8.25 -1.26 -4.61 115.22 125.84 1pk0 n HIS 351 Ca -0.09 -0.58 -0.36 0.00 -0.26 0.00 0.00 57.72 56.43 1pk0 n HIS 351 Cb 0.47 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 1pk0 n HIS 351 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1pk0 s GLY 352 N -1.21 2.66 0.15 -1.41 0.00 -1.26 -4.97 107.32 101.29 1pk0 s GLY 352 Ca 0.25 0.71 -0.20 0.00 0.00 0.00 0.00 44.72 45.47 1pk0 s GLY 352 CO 0.13 1.10 0.67 0.54 0.00 0.00 0.00 173.10 175.53 1pk0 s LYS 353 N -2.80 4.29 1.14 2.90 -0.14 -1.26 -5.03 119.74 118.83 1pk0 s LYS 353 Ca 0.62 0.86 -0.14 0.00 -1.36 0.00 0.00 55.97 55.95 1pk0 s LYS 353 Cb -0.21 -3.10 0.26 0.00 -1.68 0.00 0.00 37.83 33.10 1pk0 s LYS 353 CO 0.26 0.53 1.05 -1.54 -0.76 0.00 0.00 175.35 174.89 1pk0 s SER 354 N -1.35 1.30 0.12 2.83 1.04 -1.26 -4.53 113.70 111.85 1pk0 s SER 354 Ca 0.36 1.25 0.07 0.00 0.48 0.00 0.00 55.95 58.11 1pk0 s SER 354 Cb -0.19 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 63.95 1pk0 s SER 354 CO 0.21 -3.96 -0.06 -0.55 0.98 0.00 0.00 173.24 169.87 1pk0 s SER 355 N -3.00 4.62 -0.09 7.02 0.15 -0.61 -1.44 113.70 120.34 1pk0 s SER 355 Ca 0.68 -0.35 0.18 0.00 0.70 0.00 0.00 55.95 57.16 1pk0 s SER 355 Cb -0.21 -0.95 0.39 0.00 -1.71 0.00 0.00 66.02 63.53 1pk0 s SER 355 CO 0.61 0.16 1.18 -0.90 1.20 0.00 0.00 173.24 175.49 1pk0 n ASP 356 N 0.48 1.30 -3.59 5.45 3.85 -1.26 -0.27 116.55 122.52 1pk0 n ASP 356 Ca -0.12 -2.85 -0.10 0.00 -0.71 0.00 0.00 54.79 51.02 1pk0 n ASP 356 Cb 0.53 -0.39 -0.02 0.00 -1.35 0.00 0.00 41.12 39.88 1pk0 n ASP 356 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1pk0 s TRP 357 N -1.50 -0.39 0.32 2.11 1.48 -1.26 -4.97 118.94 114.73 1pk0 s TRP 357 Ca 0.33 0.10 0.00 0.00 -1.06 0.00 0.00 56.10 55.47 1pk0 s TRP 357 Cb 0.35 0.61 0.00 0.00 -1.16 0.00 0.00 33.47 33.27 1pk0 s TRP 357 CO -0.11 -0.97 0.00 0.41 -4.06 0.00 0.00 176.95 172.23 1pk0 n GLY 358 N -0.40 -2.32 0.39 3.67 0.00 -1.26 -2.97 105.19 102.30 1pk0 n GLY 358 Ca -0.12 -1.23 0.20 0.00 0.00 0.00 0.00 46.02 44.87 1pk0 n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pk0 h PRO 359 N -0.95 0.46 0.00 1.61 0.13 -1.92 0.15 132.00 131.48 1pk0 h PRO 359 Ca -0.05 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1pk0 h PRO 359 Cb 0.93 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1pk0 h PRO 359 CO 0.03 0.31 0.00 1.55 -0.23 0.00 0.00 178.00 179.65 1pk0 n VAL 360 N -4.63 0.00 -1.68 1.56 3.14 -1.26 -4.88 118.33 110.58 1pk0 n VAL 360 Ca 0.23 0.00 -0.45 0.00 -2.96 0.00 0.00 64.34 61.17 1pk0 n VAL 360 Cb 0.76 -0.10 -0.03 0.00 -1.06 0.00 0.00 33.84 33.41 1pk0 n VAL 360 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pk0 n ALA 361 N -0.58 1.60 0.00 1.55 0.00 0.51 -1.60 120.51 121.98 1pk0 n ALA 361 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1pk0 n ALA 361 Cb 0.02 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.11 1pk0 n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pk0 n GLY 362 N 2.99 3.22 0.00 0.00 0.00 0.63 -4.90 105.19 107.13 1pk0 n GLY 362 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1pk0 n GLY 362 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pk0 n TYR 363 N -1.10 -3.04 -3.83 1.61 4.02 -0.63 -4.08 117.16 110.12 1pk0 n TYR 363 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 1pk0 n TYR 363 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.20 1pk0 n TYR 363 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1pk0 s ILE 364 N 0.78 3.17 0.35 -0.72 -1.09 -1.25 -1.58 121.20 120.87 1pk0 s ILE 364 Ca 0.00 -2.97 -0.28 0.00 -2.23 0.00 0.00 60.65 55.17 1pk0 s ILE 364 Cb 0.00 -3.13 -0.10 0.00 -1.58 0.00 0.00 42.46 37.65 1pk0 s ILE 364 CO 0.00 -0.81 1.34 -2.16 -1.23 0.00 0.00 174.94 172.08 1pk0 s PRO 365 N 0.02 4.23 0.18 2.79 0.04 -1.26 -0.39 135.00 140.63 1pk0 s PRO 365 Ca 0.16 2.28 -0.09 0.00 0.04 0.00 0.00 61.00 63.39 1pk0 s PRO 365 Cb -0.22 -2.99 0.08 0.00 0.04 0.00 0.00 34.50 31.41 1pk0 s PRO 365 CO -0.03 -0.31 1.63 0.35 0.04 0.00 0.00 177.00 178.68 1pk0 h PHE 366 N 3.17 1.14 -1.83 0.56 3.57 -1.69 -3.30 116.94 118.56 1pk0 h PHE 366 Ca -0.49 -0.21 -0.68 0.00 3.53 0.00 0.00 57.97 60.11 1pk0 h PHE 366 Cb 1.23 -0.29 -0.14 0.00 2.79 0.00 0.00 35.95 39.54 1pk0 h PHE 366 CO 0.55 1.03 1.32 0.34 -2.23 0.00 0.00 178.31 179.31 1pk0 s ASP 367 N -6.62 6.74 0.00 0.41 2.15 -1.26 -4.76 116.67 113.34 1pk0 s ASP 367 Ca -0.11 -2.21 0.00 0.00 0.43 0.00 0.00 52.55 50.65 1pk0 s ASP 367 Cb 0.13 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 1pk0 s ASP 367 CO 0.86 -1.10 0.62 0.00 -0.17 0.00 0.00 175.17 175.38 1pk0 n GLN 368 N 7.12 0.00 -0.00 4.34 1.13 -1.25 0.13 117.38 128.85 1pk0 n GLN 368 Ca 0.33 0.19 0.16 0.00 -1.94 0.00 0.00 57.00 55.74 1pk0 n GLN 368 Cb 0.47 -1.64 0.89 0.00 0.11 0.00 0.00 30.24 30.07 1pk0 n GLN 368 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1pk0 n ASP 369 N -1.12 0.21 -0.76 1.08 2.03 -1.26 -1.78 116.55 114.95 1pk0 n ASP 369 Ca 0.00 -1.07 0.09 0.00 0.52 0.00 0.00 54.79 54.33 1pk0 n ASP 369 Cb 0.14 -0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.63 1pk0 n ASP 369 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1pk0 n LEU 370 N -0.83 2.60 0.00 -2.67 4.77 0.12 -4.42 117.00 116.56 1pk0 n LEU 370 Ca 0.23 -1.08 -0.02 0.00 -0.03 0.00 0.00 56.01 55.11 1pk0 n LEU 370 Cb 0.14 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1pk0 n LEU 370 CO 0.18 0.47 0.05 -1.54 -1.33 0.00 0.00 177.39 175.22 1pk0 n SER 371 N 1.04 0.10 0.23 -1.43 3.41 -0.73 -4.71 113.62 111.52 1pk0 n SER 371 Ca 0.11 -1.09 0.06 0.00 -0.26 0.00 0.00 58.87 57.69 1pk0 n SER 371 Cb 0.46 -0.06 0.52 0.00 -0.26 0.00 0.00 64.21 64.87 1pk0 n SER 371 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1pk0 h LYS 372 N 0.00 0.00 0.00 4.33 2.10 -1.50 -1.16 116.57 120.34 1pk0 h LYS 372 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1pk0 h LYS 372 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1pk0 h LYS 372 CO 0.03 0.17 0.00 1.63 -2.00 0.00 0.00 179.45 179.28 1pk0 n LYS 373 N -4.31 0.66 -1.47 0.07 4.01 -1.26 -4.88 118.16 110.98 1pk0 n LYS 373 Ca -0.02 0.00 -0.48 0.00 -0.51 0.00 0.00 58.31 57.30 1pk0 n LYS 373 Cb 0.24 -1.00 -0.03 0.00 -0.51 0.00 0.00 35.03 33.72 1pk0 n LYS 373 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1pk0 n HIS 374 N -0.50 0.13 -1.00 2.13 -0.00 -0.44 -1.50 115.22 114.03 1pk0 n HIS 374 Ca 0.00 0.89 -0.00 0.00 -0.00 0.00 0.00 57.72 58.61 1pk0 n HIS 374 Cb 0.00 -2.06 -0.00 0.00 -0.00 0.00 0.00 29.99 27.93 1pk0 n HIS 374 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1pk0 n GLY 375 N 1.76 0.33 2.86 1.57 0.00 -1.26 -4.96 105.19 105.48 1pk0 n GLY 375 Ca 0.16 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1pk0 n GLY 375 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pk0 n GLN 376 N -1.55 2.21 -0.08 1.61 6.02 -0.56 -4.99 117.38 120.04 1pk0 n GLN 376 Ca -0.00 -4.53 -0.02 0.00 -0.01 0.00 0.00 57.00 52.44 1pk0 n GLN 376 Cb 0.19 -2.32 -0.02 0.00 1.02 0.00 0.00 30.24 29.11 1pk0 n GLN 376 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1pk0 n GLN 377 N 1.79 -0.08 -0.28 -1.09 7.27 -1.26 0.91 117.38 124.64 1pk0 n GLN 377 Ca 0.22 0.30 -0.04 0.00 0.07 0.00 0.00 57.00 57.55 1pk0 n GLN 377 Cb 0.36 -0.44 0.07 0.00 2.41 0.00 0.00 30.24 32.65 1pk0 n GLN 377 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1pk0 h LEU 378 N 0.00 0.87 -0.35 1.69 5.85 -1.97 0.25 115.31 121.66 1pk0 h LEU 378 Ca 0.03 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1pk0 h LEU 378 Cb 0.07 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1pk0 h LEU 378 CO -0.17 0.62 -0.09 0.00 -0.34 0.00 0.00 178.44 178.46 1pk0 h ALA 379 N 1.29 0.48 0.60 1.25 0.00 0.17 0.24 119.26 123.29 1pk0 h ALA 379 Ca 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1pk0 h ALA 379 Cb -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pk0 h ALA 379 CO -0.07 0.33 -0.42 0.28 0.00 0.00 0.00 179.25 179.37 1pk0 h VAL 380 N 0.46 0.16 -0.50 0.00 2.07 -0.68 0.53 116.25 118.29 1pk0 h VAL 380 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1pk0 h VAL 380 Cb 0.60 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1pk0 h VAL 380 CO 0.04 0.00 0.07 -0.33 0.02 0.00 0.00 177.57 177.36 1pk0 h GLU 381 N -0.97 0.19 -0.36 1.57 5.08 -0.86 0.38 114.58 119.60 1pk0 h GLU 381 Ca -0.07 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1pk0 h GLU 381 Cb 0.81 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1pk0 h GLU 381 CO 0.04 0.12 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.94 1pk0 h LYS 382 N 0.19 0.57 0.01 2.33 1.63 -0.34 -2.07 116.57 118.89 1pk0 h LYS 382 Ca 0.25 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1pk0 h LYS 382 Cb 0.36 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1pk0 h LYS 382 CO -0.36 0.60 -0.00 0.78 -3.45 0.00 0.00 179.45 177.02 1pk0 h GLY 383 N 0.87 -0.01 0.90 5.01 0.00 0.25 -2.64 103.07 107.45 1pk0 h GLY 383 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1pk0 h GLY 383 CO 0.01 -0.00 -0.22 3.43 0.00 0.00 0.00 176.54 179.76 1pk0 h ASN 384 N -0.20 -0.55 -0.96 0.19 2.35 -0.17 -1.47 115.58 114.78 1pk0 h ASN 384 Ca -0.00 0.03 0.29 0.00 -0.55 0.00 0.00 56.30 56.07 1pk0 h ASN 384 Cb 0.19 0.16 -0.15 0.00 0.05 0.00 0.00 38.32 38.58 1pk0 h ASN 384 CO 0.00 -0.35 0.45 0.25 -1.65 0.00 0.00 177.43 176.13 1pk0 h LEU 385 N -0.55 0.33 -0.82 1.61 7.12 -1.39 0.83 115.31 122.43 1pk0 h LEU 385 Ca -0.04 0.19 -0.03 0.00 0.13 0.00 0.00 57.88 58.14 1pk0 h LEU 385 Cb 0.46 0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 40.73 1pk0 h LEU 385 CO 0.04 -0.13 0.40 -0.33 -0.13 0.00 0.00 178.44 178.28 1pk0 h GLU 386 N 0.29 1.18 -0.02 1.25 4.39 -0.91 0.56 114.58 121.32 1pk0 h GLU 386 Ca 0.67 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 60.19 1pk0 h GLU 386 Cb 1.45 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1pk0 h GLU 386 CO -0.62 0.90 -0.00 -0.91 -1.16 0.00 0.00 179.01 177.22 1pk0 h ASN 387 N 1.16 0.03 -0.71 1.42 2.35 0.12 -0.23 115.58 119.73 1pk0 h ASN 387 Ca 0.28 -0.38 0.14 0.00 -0.55 0.00 0.00 56.30 55.80 1pk0 h ASN 387 Cb 0.11 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.37 1pk0 h ASN 387 CO -0.04 0.41 0.21 0.11 -1.65 0.00 0.00 177.43 176.46 1pk0 h LYS 388 N -0.34 0.31 -0.43 0.81 1.57 -0.26 0.31 116.57 118.54 1pk0 h LYS 388 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1pk0 h LYS 388 Cb 0.39 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1pk0 h LYS 388 CO 0.00 0.21 0.19 0.87 -0.57 0.00 0.00 179.45 180.15 1pk0 h LYS 389 N 0.32 0.63 -0.90 3.15 1.57 -0.71 -0.77 116.57 119.86 1pk0 h LYS 389 Ca 0.39 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1pk0 h LYS 389 Cb 0.63 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 1pk0 h LYS 389 CO -0.45 0.56 0.59 0.77 -0.57 0.00 0.00 179.45 180.36 1pk0 h SER 390 N 0.56 0.97 -0.51 0.86 0.02 0.12 0.17 113.55 115.74 1pk0 h SER 390 Ca 0.15 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1pk0 h SER 390 Cb 0.15 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1pk0 h SER 390 CO -0.02 0.67 -0.15 0.40 -1.14 0.00 0.00 176.83 176.59 1pk0 h ILE 391 N 1.13 1.27 0.00 3.27 1.08 -0.01 -3.22 117.51 121.03 1pk0 h ILE 391 Ca 0.36 -1.31 -0.23 0.00 -0.39 0.00 0.00 64.86 63.29 1pk0 h ILE 391 Cb 0.01 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 1pk0 h ILE 391 CO -0.11 0.46 -1.33 0.35 -0.69 0.00 0.00 178.15 176.83 1pk0 n THR 392 N -4.15 1.52 0.94 -0.27 -2.24 -0.34 -3.43 114.28 106.31 1pk0 n THR 392 Ca 0.01 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.83 1pk0 n THR 392 Cb 0.42 -2.08 0.45 0.00 -2.10 0.00 0.00 70.33 67.02 1pk0 n THR 392 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pk0 n GLU 393 N -4.43 0.47 -1.34 -0.78 1.02 0.54 -2.78 120.64 113.33 1pk0 n GLU 393 Ca -0.31 0.01 0.03 0.00 -0.02 0.00 0.00 57.16 56.87 1pk0 n GLU 393 Cb 0.65 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.58 1pk0 n GLU 393 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1pk0 n HIS 394 N -1.01 0.00 -1.09 -0.32 8.25 -1.21 -5.04 115.22 114.80 1pk0 n HIS 394 Ca 0.11 -0.42 -0.36 0.00 -0.26 0.00 0.00 57.72 56.79 1pk0 n HIS 394 Cb 0.05 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.03 1pk0 n HIS 394 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1pk0 n GLU 395 N 0.42 0.00 0.00 -0.41 2.13 -1.12 -0.11 120.64 121.55 1pk0 n GLU 395 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1pk0 n GLU 395 Cb 1.08 -0.82 0.00 0.00 0.27 0.00 0.00 31.44 31.97 1pk0 n GLU 395 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pk0 n GLY 396 N 1.85 0.90 0.09 8.31 0.00 -1.26 -4.58 105.19 110.50 1pk0 n GLY 396 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1pk0 n GLY 396 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pk0 n GLU 397 N -1.73 0.53 -4.33 1.61 4.07 0.84 -4.50 120.64 117.13 1pk0 n GLU 397 Ca 0.00 0.53 -0.26 0.00 -0.06 0.00 0.00 57.16 57.38 1pk0 n GLU 397 Cb 0.00 -1.71 -0.13 0.00 -0.06 0.00 0.00 31.44 29.55 1pk0 n GLU 397 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1pk0 s ILE 398 N -2.34 1.93 0.03 6.31 -1.09 -0.96 -0.82 121.20 124.25 1pk0 s ILE 398 Ca -0.25 -1.64 -0.01 0.00 -2.23 0.00 0.00 60.65 56.53 1pk0 s ILE 398 Cb 0.05 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 39.20 1pk0 s ILE 398 CO 0.46 -0.01 0.05 0.61 -1.23 0.00 0.00 174.94 174.82 1pk0 n GLY 399 N 1.00 2.10 3.24 6.18 0.00 0.16 -4.62 105.19 113.24 1pk0 n GLY 399 Ca -0.19 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 1pk0 n GLY 399 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pk0 s LYS 400 N -2.01 1.01 0.09 1.61 -2.85 -1.26 0.64 119.74 116.97 1pk0 s LYS 400 Ca 0.01 -1.24 -0.12 0.00 -1.00 0.00 0.00 55.97 53.62 1pk0 s LYS 400 Cb -0.00 -0.87 0.01 0.00 -2.06 0.00 0.00 37.83 34.91 1pk0 s LYS 400 CO 0.01 0.16 0.27 0.96 0.10 0.00 0.00 175.35 176.85 1pk0 s ILE 401 N -2.21 0.11 0.44 3.79 -4.36 -0.32 -4.87 121.20 113.78 1pk0 s ILE 401 Ca 0.09 -0.91 -0.25 0.00 -0.26 0.00 0.00 60.65 59.33 1pk0 s ILE 401 Cb -0.04 -1.21 -0.08 0.00 1.25 0.00 0.00 42.46 42.38 1pk0 s ILE 401 CO 0.03 -0.50 1.28 -2.84 0.24 0.00 0.00 174.94 173.14 1pk0 s PRO 402 N -3.60 3.80 -0.08 0.37 0.02 -1.26 -0.43 135.00 133.82 1pk0 s PRO 402 Ca 0.02 2.07 -0.28 0.00 0.02 0.00 0.00 61.00 62.83 1pk0 s PRO 402 Cb 0.03 -2.60 -0.02 0.00 0.02 0.00 0.00 34.50 31.93 1pk0 s PRO 402 CO -0.10 -0.60 0.94 -1.17 -0.33 0.00 0.00 177.00 175.74 1pk0 s LEU 403 N -2.73 4.28 -0.14 -5.54 2.96 -0.03 -4.82 118.68 112.65 1pk0 s LEU 403 Ca 0.61 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 56.01 1pk0 s LEU 403 Cb -0.36 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 42.87 1pk0 s LEU 403 CO 0.45 -0.36 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.40 1pk0 s LYS 404 N 1.64 3.12 -0.44 1.98 1.02 -1.26 -1.70 119.74 124.10 1pk0 s LYS 404 Ca 0.47 -0.80 -0.16 0.00 0.02 0.00 0.00 55.97 55.49 1pk0 s LYS 404 Cb -0.19 -2.52 0.04 0.00 -0.52 0.00 0.00 37.83 34.64 1pk0 s LYS 404 CO 0.20 0.02 0.40 -0.51 -0.92 0.00 0.00 175.35 174.54 1pk0 s LEU 405 N 0.77 5.16 0.70 3.17 1.43 -0.97 -5.02 118.68 123.92 1pk0 s LEU 405 Ca -0.07 -0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 51.91 1pk0 s LEU 405 Cb -0.16 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1pk0 s LEU 405 CO -0.00 -0.59 1.25 -0.62 0.23 0.00 0.00 176.35 176.62 1pk0 s ASP 406 N 2.09 4.30 0.30 2.29 3.68 -1.26 -4.77 116.67 123.29 1pk0 s ASP 406 Ca 0.08 2.50 0.04 0.00 2.13 0.00 0.00 52.55 57.31 1pk0 s ASP 406 Cb -0.20 -2.61 0.76 0.00 -1.45 0.00 0.00 42.92 39.43 1pk0 s ASP 406 CO 0.10 -2.20 1.68 0.45 0.13 0.00 0.00 175.17 175.33 1pk0 h HIS 407 N 0.05 0.58 -0.29 -5.34 3.86 -1.99 -1.32 115.15 110.70 1pk0 h HIS 407 Ca -0.49 0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 58.61 1pk0 h HIS 407 Cb 1.32 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.67 1pk0 h HIS 407 CO 0.44 -0.12 -0.41 -0.07 0.86 0.00 0.00 177.93 178.63 1pk0 h LEU 408 N 0.33 0.85 -0.80 2.43 3.38 -2.00 -3.24 115.31 116.25 1pk0 h LEU 408 Ca 0.58 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1pk0 h LEU 408 Cb 1.15 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1pk0 h LEU 408 CO -0.58 1.19 0.50 -0.09 0.09 0.00 0.00 178.44 179.55 1pk0 h ARG 409 N 0.54 0.90 -0.54 1.13 9.65 -1.60 -0.16 114.38 124.30 1pk0 h ARG 409 Ca 0.03 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.91 1pk0 h ARG 409 Cb 1.00 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 29.33 1pk0 h ARG 409 CO 0.09 0.60 0.26 0.82 2.80 0.00 0.00 179.97 184.54 1pk0 h ILE 410 N 0.93 0.92 0.06 1.20 1.08 -1.52 0.89 117.51 121.08 1pk0 h ILE 410 Ca 0.34 -0.17 0.02 0.00 -0.39 0.00 0.00 64.86 64.66 1pk0 h ILE 410 Cb 0.11 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1pk0 h ILE 410 CO -0.15 0.09 -0.16 -0.08 -0.69 0.00 0.00 178.15 177.16 1pk0 h GLU 411 N 0.50 -0.28 -0.53 2.37 4.57 -1.30 0.14 114.58 120.05 1pk0 h GLU 411 Ca 0.25 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.55 1pk0 h GLU 411 Cb 0.18 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.75 1pk0 h GLU 411 CO -0.19 -0.19 -0.01 0.93 -1.18 0.00 0.00 179.01 178.37 1pk0 h GLU 412 N -0.29 0.10 -0.74 1.92 5.08 -0.25 -0.39 114.58 120.00 1pk0 h GLU 412 Ca 0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1pk0 h GLU 412 Cb 0.33 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1pk0 h GLU 412 CO -0.11 0.07 0.37 -0.07 -1.00 0.00 0.00 179.01 178.27 1pk0 h LEU 413 N 0.10 0.94 -0.42 1.33 3.38 -0.15 -1.99 115.31 118.50 1pk0 h LEU 413 Ca 0.27 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1pk0 h LEU 413 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1pk0 h LEU 413 CO -0.46 0.79 0.27 0.50 0.09 0.00 0.00 178.44 179.63 1pk0 h LYS 414 N 1.04 0.56 0.81 1.13 3.64 0.92 -0.85 116.57 123.83 1pk0 h LYS 414 Ca 0.26 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1pk0 h LYS 414 Cb 0.09 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1pk0 h LYS 414 CO -0.04 0.39 -0.39 0.93 -2.27 0.00 0.00 179.45 178.07 1pk0 h GLU 415 N 0.56 -1.05 0.00 1.90 4.39 -0.92 -1.03 114.58 118.43 1pk0 h GLU 415 Ca 0.15 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1pk0 h GLU 415 Cb -0.04 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1pk0 h GLU 415 CO -0.03 -0.70 0.20 0.09 -1.16 0.00 0.00 179.01 177.40 1pk0 n ASN 416 N -4.96 0.00 -3.18 1.42 5.03 -0.79 -4.76 115.26 108.04 1pk0 n ASN 416 Ca -0.14 0.25 -0.15 0.00 0.87 0.00 0.00 54.58 55.41 1pk0 n ASN 416 Cb 0.43 -0.25 0.08 0.00 -1.02 0.00 0.00 39.78 39.02 1pk0 n ASN 416 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pk0 n GLY 417 N -1.22 -0.55 0.22 7.41 0.00 -0.39 -4.96 105.19 105.70 1pk0 n GLY 417 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 1pk0 n GLY 417 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pk0 n ILE 418 N -3.57 0.98 -3.98 -0.61 2.08 -0.41 -5.04 119.36 108.81 1pk0 n ILE 418 Ca -0.19 -0.33 -0.09 0.00 0.56 0.00 0.00 62.75 62.70 1pk0 n ILE 418 Cb 0.64 -1.35 -0.08 0.00 -0.75 0.00 0.00 39.64 38.10 1pk0 n ILE 418 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1pk0 s ILE 419 N -2.34 0.09 -0.03 1.39 -4.36 -1.25 -4.39 121.20 110.31 1pk0 s ILE 419 Ca -0.24 -1.45 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1pk0 s ILE 419 Cb 0.07 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 42.02 1pk0 s ILE 419 CO 0.36 -0.40 -0.02 -0.76 0.24 0.00 0.00 174.94 174.37 1pk0 s LEU 420 N -2.96 1.31 -0.20 0.37 1.43 -0.97 -3.95 118.68 113.69 1pk0 s LEU 420 Ca 0.16 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 1pk0 s LEU 420 Cb 0.04 -0.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1pk0 s LEU 420 CO -0.02 -0.07 1.43 -0.75 0.23 0.00 0.00 176.35 177.17 1pk0 s LYS 421 N 0.87 4.01 0.00 1.70 2.20 -1.26 -0.65 119.74 126.61 1pk0 s LYS 421 Ca -0.10 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.13 1pk0 s LYS 421 Cb -0.13 -3.91 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 1pk0 s LYS 421 CO -0.01 -1.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.38 1pk0 n GLY 422 N 4.19 2.50 3.71 5.54 0.00 0.20 -4.96 105.19 116.37 1pk0 n GLY 422 Ca 0.16 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 1pk0 n GLY 422 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pk0 s LYS 423 N 4.02 1.69 0.62 1.61 -2.85 -1.26 -4.44 119.74 119.13 1pk0 s LYS 423 Ca 0.00 1.60 -0.07 0.00 -1.00 0.00 0.00 55.97 56.50 1pk0 s LYS 423 Cb 0.00 -1.80 0.02 0.00 -2.06 0.00 0.00 37.83 33.99 1pk0 s LYS 423 CO 0.00 -2.14 0.94 -1.59 0.10 0.00 0.00 175.35 172.66 1pk0 s LYS 424 N -4.34 2.82 -0.11 1.78 -2.85 -1.26 -1.31 119.74 114.46 1pk0 s LYS 424 Ca 0.69 0.03 -0.20 0.00 -1.00 0.00 0.00 55.97 55.50 1pk0 s LYS 424 Cb -0.25 -2.22 0.05 0.00 -2.06 0.00 0.00 37.83 33.34 1pk0 s LYS 424 CO 0.52 -0.81 0.49 -2.00 0.10 0.00 0.00 175.35 173.64 1pk0 s GLU 425 N -5.07 0.72 -0.11 1.78 2.12 0.12 -4.85 118.70 113.41 1pk0 s GLU 425 Ca 0.55 0.34 0.02 0.00 0.36 0.00 0.00 54.97 56.25 1pk0 s GLU 425 Cb -0.11 0.34 0.01 0.00 0.26 0.00 0.00 34.13 34.64 1pk0 s GLU 425 CO 0.46 -0.16 -0.17 0.42 -0.54 0.00 0.00 175.26 175.27 1pk0 s ILE 426 N -0.52 1.61 -0.05 -3.70 1.01 -1.26 0.58 121.20 118.86 1pk0 s ILE 426 Ca -0.06 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 59.93 1pk0 s ILE 426 Cb -0.03 -1.45 -0.08 0.00 0.01 0.00 0.00 42.46 40.91 1pk0 s ILE 426 CO 0.04 0.46 0.05 -0.67 0.00 0.00 0.00 174.94 174.82 1pk0 n ASP 427 N 4.10 3.52 -3.65 3.58 -0.08 -0.34 -4.89 116.55 118.79 1pk0 n ASP 427 Ca -0.19 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.03 1pk0 n ASP 427 Cb 0.51 0.82 -0.07 0.00 2.34 0.00 0.00 41.12 44.72 1pk0 n ASP 427 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1pk0 s ASN 428 N -3.48 -0.84 0.00 1.67 2.47 -1.26 -4.86 114.94 108.64 1pk0 s ASN 428 Ca -0.03 1.36 0.00 0.00 0.42 0.00 0.00 52.86 54.61 1pk0 s ASN 428 Cb 0.02 1.55 0.00 0.00 -1.45 0.00 0.00 41.25 41.37 1pk0 s ASN 428 CO 0.25 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 174.02 1pk0 n GLY 429 N 4.78 0.00 3.11 1.21 0.00 -1.26 -4.65 105.19 108.38 1pk0 n GLY 429 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1pk0 n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk0 s LYS 430 N 0.00 1.46 -0.15 1.61 1.02 -1.26 -5.12 119.74 117.30 1pk0 s LYS 430 Ca 0.00 -0.54 -0.20 0.00 0.02 0.00 0.00 55.97 55.24 1pk0 s LYS 430 Cb 0.00 -1.33 -0.03 0.00 -0.52 0.00 0.00 37.83 35.95 1pk0 s LYS 430 CO 0.00 0.26 0.60 0.21 -0.92 0.00 0.00 175.35 175.50 1pk0 s LYS 431 N -0.08 4.28 0.13 1.68 2.20 -1.26 -1.20 119.74 125.50 1pk0 s LYS 431 Ca -0.00 0.61 0.04 0.00 -0.36 0.00 0.00 55.97 56.27 1pk0 s LYS 431 Cb -0.09 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1pk0 s LYS 431 CO 0.01 -0.08 -0.11 0.71 -0.36 0.00 0.00 175.35 175.52 1pk0 s TYR 432 N 1.37 1.24 -0.11 4.03 1.51 0.20 -1.99 117.35 123.59 1pk0 s TYR 432 Ca 0.29 -0.72 -0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1pk0 s TYR 432 Cb -0.16 -0.64 0.02 0.00 -0.11 0.00 0.00 41.96 41.08 1pk0 s TYR 432 CO 0.12 0.07 -0.07 0.71 -1.11 0.00 0.00 175.55 175.27 1pk0 s TYR 433 N -3.04 1.47 0.56 2.71 4.12 -0.27 0.14 117.35 123.03 1pk0 s TYR 433 Ca 0.14 -0.73 -0.21 0.00 0.02 0.00 0.00 57.07 56.29 1pk0 s TYR 433 Cb 0.01 -1.22 -0.04 0.00 -1.52 0.00 0.00 41.96 39.18 1pk0 s TYR 433 CO 0.01 -0.51 1.34 -0.51 0.02 0.00 0.00 175.55 175.90 1pk0 s LEU 434 N 1.71 3.81 -0.15 -1.29 1.02 -0.43 -0.56 118.68 122.79 1pk0 s LEU 434 Ca 0.05 2.73 0.00 0.00 0.02 0.00 0.00 54.13 56.93 1pk0 s LEU 434 Cb -0.13 -4.33 0.02 0.00 0.02 0.00 0.00 46.19 41.78 1pk0 s LEU 434 CO -0.08 -1.63 -0.13 -0.76 0.02 0.00 0.00 176.35 173.77 1pk0 s LEU 435 N -3.65 1.68 0.49 1.79 1.43 0.88 0.63 118.68 121.92 1pk0 s LEU 435 Ca 0.73 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1pk0 s LEU 435 Cb -0.40 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 44.69 1pk0 s LEU 435 CO 0.46 -0.07 0.69 -1.61 0.23 0.00 0.00 176.35 176.06 1pk0 s GLU 436 N 1.50 2.71 -0.19 1.70 8.01 0.18 -3.66 118.70 128.95 1pk0 s GLU 436 Ca 0.05 -0.88 -0.28 0.00 0.01 0.00 0.00 54.97 53.87 1pk0 s GLU 436 Cb -0.13 -2.59 0.10 0.00 -4.31 0.00 0.00 34.13 27.20 1pk0 s GLU 436 CO -0.10 -0.50 0.85 -1.54 0.01 0.00 0.00 175.26 173.98 1pk0 s SER 437 N -4.37 -0.56 0.00 -0.19 1.04 -1.26 -2.30 113.70 106.06 1pk0 s SER 437 Ca 0.55 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1pk0 s SER 437 Cb -0.10 0.80 0.01 0.00 0.10 0.00 0.00 66.02 66.83 1pk0 s SER 437 CO 0.36 -0.34 0.24 -0.46 0.98 0.00 0.00 173.24 174.02 1pk0 n ASN 438 N 1.64 0.00 -4.79 7.02 2.04 -1.26 -4.74 115.26 115.17 1pk0 n ASN 438 Ca -0.14 -0.47 -0.35 0.00 -0.44 0.00 0.00 54.58 53.19 1pk0 n ASN 438 Cb 0.56 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.79 1pk0 n ASN 438 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1pk0 s ASN 439 N -1.77 6.26 -0.01 0.53 3.84 -1.26 -4.99 114.94 117.55 1pk0 s ASN 439 Ca 0.00 2.00 0.14 0.00 0.21 0.00 0.00 52.86 55.22 1pk0 s ASN 439 Cb 0.00 -2.57 -0.18 0.00 -0.55 0.00 0.00 41.25 37.95 1pk0 s ASN 439 CO 0.00 -0.84 0.51 0.00 -2.79 0.00 0.00 177.10 173.99 1pk0 n GLN 440 N -0.91 1.65 -0.05 0.43 0.00 -1.26 -4.68 117.38 112.55 1pk0 n GLN 440 Ca 0.09 -0.05 -0.21 0.00 0.00 0.00 0.00 57.00 56.83 1pk0 n GLN 440 Cb 0.52 -1.24 -0.13 0.00 0.00 0.00 0.00 30.24 29.39 1pk0 n GLN 440 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1pk0 n VAL 441 N -1.57 1.66 -3.94 -0.39 0.31 -1.26 -4.76 118.33 108.39 1pk0 n VAL 441 Ca 0.01 -0.52 -0.22 0.00 -0.01 0.00 0.00 64.34 63.61 1pk0 n VAL 441 Cb 0.28 -1.73 -0.04 0.00 -0.91 0.00 0.00 33.84 31.43 1pk0 n VAL 441 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1pk0 s TYR 442 N -2.52 2.90 -0.03 3.52 1.51 -1.26 -0.12 117.35 121.35 1pk0 s TYR 442 Ca -0.27 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1pk0 s TYR 442 Cb 0.08 -1.67 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1pk0 s TYR 442 CO 0.69 0.29 -0.05 -2.00 -1.11 0.00 0.00 175.55 173.36 1pk0 s GLU 443 N -3.93 0.79 0.11 -0.62 2.12 0.19 -4.77 118.70 112.59 1pk0 s GLU 443 Ca 0.39 -0.16 0.10 0.00 0.36 0.00 0.00 54.97 55.66 1pk0 s GLU 443 Cb -0.06 -0.78 -0.04 0.00 0.26 0.00 0.00 34.13 33.52 1pk0 s GLU 443 CO 0.25 -0.01 -0.26 -0.06 -0.54 0.00 0.00 175.26 174.64 1pk0 s PHE 444 N 0.61 2.22 0.08 5.30 0.40 -1.24 -1.40 117.98 123.95 1pk0 s PHE 444 Ca -0.08 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 55.80 1pk0 s PHE 444 Cb -0.12 -1.23 -0.02 0.00 0.51 0.00 0.00 43.02 42.17 1pk0 s PHE 444 CO 0.00 0.27 0.11 -0.98 0.70 0.00 0.00 175.22 175.33 1pk0 s ARG 445 N -1.84 0.79 -0.00 0.44 1.70 -0.41 -0.09 118.95 119.54 1pk0 s ARG 445 Ca 0.12 -1.09 0.05 0.00 -0.47 0.00 0.00 55.73 54.34 1pk0 s ARG 445 Cb -0.10 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1pk0 s ARG 445 CO 0.05 -0.22 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.40 1pk0 s ILE 446 N -3.90 1.13 0.21 4.99 2.07 0.27 -0.44 121.20 125.53 1pk0 s ILE 446 Ca 0.07 -0.69 -0.30 0.00 -1.41 0.00 0.00 60.65 58.33 1pk0 s ILE 446 Cb 0.06 -0.96 -0.08 0.00 0.13 0.00 0.00 42.46 41.61 1pk0 s ILE 446 CO -0.09 0.26 1.08 -0.55 -1.91 0.00 0.00 174.94 173.73 1pk0 s SER 447 N -0.50 7.30 0.15 4.50 0.15 0.97 -1.12 113.70 125.16 1pk0 s SER 447 Ca 0.05 2.13 -0.01 0.00 0.70 0.00 0.00 55.95 58.82 1pk0 s SER 447 Cb -0.06 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1pk0 s SER 447 CO -0.00 -0.16 1.36 -0.78 1.20 0.00 0.00 173.24 174.85 1pk0 h ASP 448 N 4.65 0.39 0.00 5.45 1.82 -1.74 -1.70 116.42 125.28 1pk0 h ASP 448 Ca -0.45 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 55.89 1pk0 h ASP 448 Cb 1.21 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1pk0 h ASP 448 CO 0.70 1.10 0.00 -0.62 -1.61 0.00 0.00 179.24 178.81 1pk0 n GLU 449 N -3.71 0.00 0.00 0.28 1.02 -1.26 -4.30 120.64 112.67 1pk0 n GLU 449 Ca -0.05 0.38 0.12 0.00 -0.02 0.00 0.00 57.16 57.59 1pk0 n GLU 449 Cb 0.81 -1.26 0.19 0.00 -0.02 0.00 0.00 31.44 31.15 1pk0 n GLU 449 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1pk0 n ASN 450 N -1.64 1.45 -1.42 1.62 0.23 -1.26 -4.98 115.26 109.26 1pk0 n ASN 450 Ca 0.00 -1.15 -0.12 0.00 -0.53 0.00 0.00 54.58 52.78 1pk0 n ASN 450 Cb 0.00 0.33 -0.01 0.00 -2.08 0.00 0.00 39.78 38.02 1pk0 n ASN 450 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1pk0 n ASN 451 N -0.44 -3.92 -4.79 0.53 3.02 -0.64 -4.92 115.26 104.10 1pk0 n ASN 451 Ca 0.10 -0.01 -0.38 0.00 -0.03 0.00 0.00 54.58 54.26 1pk0 n ASN 451 Cb 0.40 -3.12 -0.06 0.00 -0.61 0.00 0.00 39.78 36.39 1pk0 n ASN 451 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pk0 s GLU 452 N -4.63 4.41 -0.10 3.52 2.02 -1.26 -2.30 118.70 120.37 1pk0 s GLU 452 Ca 0.00 1.00 -0.09 0.00 0.02 0.00 0.00 54.97 55.90 1pk0 s GLU 452 Cb -0.00 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1pk0 s GLU 452 CO 0.00 0.54 0.20 0.08 0.02 0.00 0.00 175.26 176.10 1pk0 s VAL 453 N -1.24 5.40 0.18 2.63 1.01 -0.69 -0.02 120.40 127.67 1pk0 s VAL 453 Ca 0.36 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.76 1pk0 s VAL 453 Cb -0.21 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1pk0 s VAL 453 CO 0.23 0.59 -0.13 -1.10 0.00 0.00 0.00 175.10 174.69 1pk0 s GLN 454 N -0.86 1.24 0.06 2.72 -0.21 0.41 -2.20 119.66 120.82 1pk0 s GLN 454 Ca 0.16 -1.54 -0.10 0.00 0.02 0.00 0.00 55.36 53.91 1pk0 s GLN 454 Cb -0.13 -0.97 0.00 0.00 1.00 0.00 0.00 33.01 32.92 1pk0 s GLN 454 CO 0.05 0.15 0.20 1.52 -2.12 0.00 0.00 175.29 175.10 1pk0 s TYR 455 N -3.04 0.08 0.13 0.91 -0.00 0.06 -1.28 117.35 114.20 1pk0 s TYR 455 Ca 0.20 -0.38 -0.10 0.00 -0.00 0.00 0.00 57.07 56.80 1pk0 s TYR 455 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 41.96 41.93 1pk0 s TYR 455 CO 0.05 -0.48 0.26 -1.59 -0.00 0.00 0.00 175.55 173.78 1pk0 s LYS 456 N -3.09 1.03 0.29 -3.49 -2.85 -0.49 -2.07 119.74 109.07 1pk0 s LYS 456 Ca -0.01 -1.05 -0.24 0.00 -1.00 0.00 0.00 55.97 53.68 1pk0 s LYS 456 Cb 0.01 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 36.06 1pk0 s LYS 456 CO -0.07 -0.36 0.87 0.95 0.10 0.00 0.00 175.35 176.84 1pk0 s THR 457 N -3.91 4.34 0.99 3.79 -4.23 -0.73 -0.64 115.64 115.24 1pk0 s THR 457 Ca 0.11 1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 62.13 1pk0 s THR 457 Cb 0.04 -3.95 0.18 0.00 1.34 0.00 0.00 72.50 70.11 1pk0 s THR 457 CO -0.05 0.16 1.08 -0.54 -0.54 0.00 0.00 174.62 174.73 1pk0 s LYS 458 N -2.04 0.50 0.24 3.99 -0.14 0.83 -4.82 119.74 118.30 1pk0 s LYS 458 Ca 0.48 0.85 -0.31 0.00 -1.36 0.00 0.00 55.97 55.62 1pk0 s LYS 458 Cb -0.18 -1.72 -0.13 0.00 -1.68 0.00 0.00 37.83 34.13 1pk0 s LYS 458 CO 0.23 -2.77 1.59 -1.91 -0.76 0.00 0.00 175.35 171.73 1pk0 n GLU 459 N -4.25 2.48 0.00 1.68 2.13 -1.26 -1.91 120.64 119.52 1pk0 n GLU 459 Ca 0.06 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.77 1pk0 n GLU 459 Cb 0.55 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.60 1pk0 n GLU 459 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pk0 n GLY 460 N 2.86 0.17 3.79 8.31 0.00 -1.26 -4.91 105.19 114.14 1pk0 n GLY 460 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1pk0 n GLY 460 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk0 s LYS 461 N 0.00 3.25 0.00 1.61 -0.14 -0.80 -5.06 119.74 118.61 1pk0 s LYS 461 Ca 0.00 1.31 0.06 0.00 -1.36 0.00 0.00 55.97 55.98 1pk0 s LYS 461 Cb 0.00 -2.02 -0.02 0.00 -1.68 0.00 0.00 37.83 34.12 1pk0 s LYS 461 CO 0.00 -0.88 -0.18 -1.50 -0.76 0.00 0.00 175.35 172.03 1pk0 s ILE 462 N -2.30 1.46 0.92 2.17 2.07 -1.26 -4.72 121.20 119.53 1pk0 s ILE 462 Ca 0.66 -0.89 -0.11 0.00 -1.41 0.00 0.00 60.65 58.90 1pk0 s ILE 462 Cb -0.18 -1.23 0.14 0.00 0.13 0.00 0.00 42.46 41.32 1pk0 s ILE 462 CO 0.35 0.33 1.10 -0.89 -1.91 0.00 0.00 174.94 173.92 1pk0 s THR 463 N -0.54 2.52 0.13 4.00 2.01 -0.45 -4.85 115.64 118.47 1pk0 s THR 463 Ca 0.07 0.17 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 1pk0 s THR 463 Cb -0.07 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1pk0 s THR 463 CO 0.00 -0.22 1.78 0.58 -0.69 0.00 0.00 174.62 176.07 1pk0 h VAL 464 N -1.73 1.04 0.00 3.82 2.07 -1.97 0.11 116.25 119.59 1pk0 h VAL 464 Ca -0.48 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1pk0 h VAL 464 Cb 1.27 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1pk0 h VAL 464 CO 0.49 0.06 0.00 0.18 0.02 0.00 0.00 177.57 178.32 1pk0 n LEU 465 N -4.93 0.00 -2.62 2.57 4.77 -1.26 -4.84 117.00 110.70 1pk0 n LEU 465 Ca -0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1pk0 n LEU 465 Cb 0.04 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1pk0 n LEU 465 CO 0.33 0.00 0.03 0.61 -1.33 0.00 0.00 177.39 177.03 1pk0 n GLY 466 N 0.17 -0.45 3.49 -0.72 0.00 0.39 -5.06 105.19 103.01 1pk0 n GLY 466 Ca 0.04 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 1pk0 n GLY 466 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pk0 s GLU 467 N -3.85 1.75 -0.29 1.61 2.02 -1.25 -4.86 118.70 113.83 1pk0 s GLU 467 Ca 0.28 -2.00 -0.20 0.00 0.02 0.00 0.00 54.97 53.06 1pk0 s GLU 467 Cb -0.04 -0.87 0.13 0.00 0.10 0.00 0.00 34.13 33.45 1pk0 s GLU 467 CO 0.48 -0.25 0.99 -1.59 0.02 0.00 0.00 175.26 174.91 1pk0 s LYS 468 N -3.85 0.45 0.21 1.61 -2.85 -1.26 -1.34 119.74 112.72 1pk0 s LYS 468 Ca 0.32 0.65 -0.22 0.00 -1.00 0.00 0.00 55.97 55.73 1pk0 s LYS 468 Cb 0.07 0.16 0.05 0.00 -2.06 0.00 0.00 37.83 36.05 1pk0 s LYS 468 CO 0.15 -0.07 0.64 -0.59 0.10 0.00 0.00 175.35 175.58 1pk0 s PHE 469 N 0.80 -0.38 0.00 1.78 -0.12 -1.26 -5.03 117.98 113.78 1pk0 s PHE 469 Ca -0.03 0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.91 1pk0 s PHE 469 Cb -0.04 0.61 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 1pk0 s PHE 469 CO -0.11 -1.01 0.00 -1.71 -0.05 0.00 0.00 175.22 172.34 1pk0 n ASN 470 N -0.41 0.00 -4.64 1.98 5.15 -1.26 -1.78 115.26 114.30 1pk0 n ASN 470 Ca -0.11 -0.21 -0.47 0.00 -0.60 0.00 0.00 54.58 53.18 1pk0 n ASN 470 Cb 0.62 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.84 1pk0 n ASN 470 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1pk0 n TRP 471 N -0.31 1.89 -3.56 1.20 5.03 -1.26 -4.30 117.44 116.13 1pk0 n TRP 471 Ca 0.00 0.49 -0.13 0.00 3.03 0.00 0.00 57.50 60.89 1pk0 n TRP 471 Cb 0.00 -2.41 -0.05 0.00 -1.03 0.00 0.00 31.31 27.81 1pk0 n TRP 471 CO 0.00 0.00 0.00 -0.98 -0.03 0.00 0.00 177.69 176.68 1pk0 s ARG 472 N -0.12 0.75 0.62 -0.99 1.70 -0.88 -4.94 118.95 115.09 1pk0 s ARG 472 Ca 0.73 0.19 -0.19 0.00 -0.47 0.00 0.00 55.73 55.99 1pk0 s ARG 472 Cb -0.74 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 33.98 1pk0 s ARG 472 CO 0.48 -0.23 1.32 -0.80 -1.08 0.00 0.00 175.30 174.99 1pk0 s ASN 473 N -1.11 4.74 -0.45 -2.89 -0.87 -1.26 -0.76 114.94 112.33 1pk0 s ASN 473 Ca -0.05 2.67 -0.18 0.00 -1.57 0.00 0.00 52.86 53.74 1pk0 s ASN 473 Cb -0.00 -2.62 0.04 0.00 -0.02 0.00 0.00 41.25 38.64 1pk0 s ASN 473 CO 0.04 -1.92 0.51 -0.63 -2.57 0.00 0.00 177.10 172.54 1pk0 s ILE 474 N -1.36 5.01 0.35 0.60 1.01 -0.93 -4.79 121.20 121.08 1pk0 s ILE 474 Ca 0.80 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.91 1pk0 s ILE 474 Cb -0.39 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 37.86 1pk0 s ILE 474 CO 0.42 -0.57 0.74 -1.61 0.00 0.00 0.00 174.94 173.92 1pk0 s GLU 475 N 2.31 3.93 0.01 2.79 2.02 -1.26 -0.85 118.70 127.65 1pk0 s GLU 475 Ca 0.13 0.60 0.02 0.00 0.02 0.00 0.00 54.97 55.75 1pk0 s GLU 475 Cb -0.18 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 1pk0 s GLU 475 CO 0.13 0.10 -0.07 0.14 0.02 0.00 0.00 175.26 175.58 1pk0 s VAL 476 N -2.10 0.53 0.36 2.63 -7.23 0.43 -1.79 120.40 113.24 1pk0 s VAL 476 Ca 0.53 -0.50 -0.28 0.00 -1.81 0.00 0.00 61.98 59.92 1pk0 s VAL 476 Cb -0.10 -0.49 -0.11 0.00 0.56 0.00 0.00 36.38 36.23 1pk0 s VAL 476 CO 0.22 0.01 1.50 0.23 -0.31 0.00 0.00 175.10 176.75 1pk0 n MET 477 N 2.52 2.67 -3.92 4.82 0.00 0.48 -1.17 117.12 122.52 1pk0 n MET 477 Ca -0.16 0.94 -0.09 0.00 0.00 0.00 0.00 57.70 58.40 1pk0 n MET 477 Cb 0.57 -2.68 -0.08 0.00 0.00 0.00 0.00 33.22 31.03 1pk0 n MET 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pk0 s ALA 478 N -0.90 -0.04 0.25 3.04 0.00 0.21 -1.84 121.76 122.47 1pk0 s ALA 478 Ca 0.55 -0.77 0.10 0.00 0.00 0.00 0.00 51.96 51.84 1pk0 s ALA 478 Cb -0.48 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1pk0 s ALA 478 CO 0.61 -0.50 -0.08 -1.59 0.00 0.00 0.00 175.76 174.20 1pk0 s LYS 479 N -3.89 2.05 -0.18 0.00 -2.85 -0.01 0.37 119.74 115.23 1pk0 s LYS 479 Ca 0.07 -1.50 -0.24 0.00 -1.00 0.00 0.00 55.97 53.30 1pk0 s LYS 479 Cb 0.05 -2.04 -0.02 0.00 -2.06 0.00 0.00 37.83 33.77 1pk0 s LYS 479 CO -0.10 0.37 0.78 1.21 0.10 0.00 0.00 175.35 177.71 1pk0 s ASN 480 N -3.45 6.88 -0.23 0.03 3.84 -0.00 -0.96 114.94 121.04 1pk0 s ASN 480 Ca 0.30 1.08 -0.01 0.00 0.21 0.00 0.00 52.86 54.44 1pk0 s ASN 480 Cb -0.06 -2.43 0.07 0.00 -0.55 0.00 0.00 41.25 38.28 1pk0 s ASN 480 CO 0.17 -0.37 0.01 -0.69 -2.79 0.00 0.00 177.10 173.43 1pk0 s VAL 481 N 2.13 1.07 -1.31 -5.21 1.01 0.32 -4.81 120.40 113.60 1pk0 s VAL 481 Ca 0.36 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1pk0 s VAL 481 Cb -0.16 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1pk0 s VAL 481 CO 0.12 -0.25 0.81 -0.62 0.00 0.00 0.00 175.10 175.15 1pk0 n GLU 482 N 4.83 -5.45 0.00 2.72 -0.58 -1.26 -0.92 120.64 119.98 1pk0 n GLU 482 Ca -0.09 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1pk0 n GLU 482 Cb 0.45 -5.38 0.00 0.00 -0.57 0.00 0.00 31.44 25.94 1pk0 n GLU 482 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pk0 n GLY 483 N -1.51 2.33 3.74 0.62 0.00 -1.26 -4.97 105.19 104.14 1pk0 n GLY 483 Ca -0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1pk0 n GLY 483 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk0 s VAL 484 N -2.21 4.53 -0.38 1.61 1.01 -0.10 -5.07 120.40 119.79 1pk0 s VAL 484 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1pk0 s VAL 484 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1pk0 s VAL 484 CO 0.00 0.43 0.62 -0.22 0.00 0.00 0.00 175.10 175.93 1pk0 s LEU 485 N -1.46 4.36 -0.11 3.92 2.96 -1.26 0.12 118.68 127.21 1pk0 s LEU 485 Ca 0.19 -0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1pk0 s LEU 485 Cb -0.12 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.82 1pk0 s LEU 485 CO 0.10 -0.64 -0.09 -0.54 -1.32 0.00 0.00 176.35 173.85 1pk0 s LYS 486 N 2.70 3.17 0.68 1.98 1.02 -0.14 -4.92 119.74 124.23 1pk0 s LYS 486 Ca 0.23 -0.61 -0.17 0.00 0.02 0.00 0.00 55.97 55.44 1pk0 s LYS 486 Cb -0.14 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 1pk0 s LYS 486 CO 0.16 0.40 1.18 -0.35 -0.92 0.00 0.00 175.35 175.82 1pk0 n PRO 487 N 3.01 0.82 -4.07 -1.68 -0.04 -1.26 -0.83 135.00 130.94 1pk0 n PRO 487 Ca -0.18 0.34 -0.23 0.00 -0.04 0.00 0.00 63.50 63.40 1pk0 n PRO 487 Cb 0.53 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 1pk0 n PRO 487 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pk0 s LEU 488 N -4.07 3.34 0.23 1.53 1.43 -0.77 -3.92 118.68 116.46 1pk0 s LEU 488 Ca 0.79 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1pk0 s LEU 488 Cb -0.36 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1pk0 s LEU 488 CO 0.44 -0.26 0.43 0.28 0.23 0.00 0.00 176.35 177.47 1pk0 s THR 489 N -2.38 0.01 0.33 5.49 -1.32 0.63 -3.76 115.64 114.64 1pk0 s THR 489 Ca 0.37 -1.45 -0.27 0.00 -1.21 0.00 0.00 61.69 59.12 1pk0 s THR 489 Cb -0.04 -2.19 -0.13 0.00 -1.51 0.00 0.00 72.50 68.63 1pk0 s THR 489 CO 0.23 -0.03 1.13 0.00 -2.21 0.00 0.00 174.62 173.74 1pk0 n ALA 490 N -0.36 0.47 -2.20 11.08 0.00 -1.26 -1.48 120.51 126.76 1pk0 n ALA 490 Ca -0.02 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1pk0 n ALA 490 Cb 0.62 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1pk0 n ALA 490 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pk0 n ASP 491 N 0.93 0.00 -4.17 0.00 5.75 -1.26 -4.71 116.55 113.09 1pk0 n ASP 491 Ca 0.07 -0.47 -0.39 0.00 -0.01 0.00 0.00 54.79 53.99 1pk0 n ASP 491 Cb 0.35 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.40 1pk0 n ASP 491 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1pk0 n TYR 492 N -0.56 4.50 -1.79 2.11 4.01 0.14 -4.88 117.16 120.69 1pk0 n TYR 492 Ca 0.00 -3.99 -0.43 0.00 -0.16 0.00 0.00 57.90 53.33 1pk0 n TYR 492 Cb 0.00 -1.33 -0.03 0.00 -0.31 0.00 0.00 39.34 37.67 1pk0 n TYR 492 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1pk0 s ASP 493 N 0.22 5.98 0.04 7.72 1.11 -1.26 -4.65 116.67 125.83 1pk0 s ASP 493 Ca 0.29 1.97 -0.30 0.00 0.18 0.00 0.00 52.55 54.69 1pk0 s ASP 493 Cb -0.07 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1pk0 s ASP 493 CO -0.10 -1.53 1.01 -0.76 1.18 0.00 0.00 175.17 174.98 1pk0 s LEU 494 N 6.41 4.40 -0.09 1.23 1.43 -1.26 -0.94 118.68 129.86 1pk0 s LEU 494 Ca 0.88 1.76 -0.13 0.00 -1.03 0.00 0.00 54.13 55.61 1pk0 s LEU 494 Cb -0.32 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.21 1pk0 s LEU 494 CO 0.35 -0.25 0.46 0.15 0.23 0.00 0.00 176.35 177.29 1pk0 h PHE 495 N 6.48 -0.11 -3.10 0.29 3.57 0.19 -2.44 116.94 121.82 1pk0 h PHE 495 Ca -0.42 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.09 1pk0 h PHE 495 Cb 1.22 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.90 1pk0 h PHE 495 CO 0.67 0.23 0.16 0.00 -2.23 0.00 0.00 178.31 177.14 1pk0 s ALA 496 N -2.94 -1.27 -0.07 2.41 0.00 -0.74 -2.04 121.76 117.11 1pk0 s ALA 496 Ca -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 1pk0 s ALA 496 Cb -0.00 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1pk0 s ALA 496 CO 0.29 -0.87 -0.00 -0.51 0.00 0.00 0.00 175.76 174.68 1pk0 s LEU 497 N -2.84 0.66 -0.37 0.00 1.43 -1.26 -1.21 118.68 115.09 1pk0 s LEU 497 Ca 0.07 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1pk0 s LEU 497 Cb -0.03 -0.43 0.11 0.00 0.03 0.00 0.00 46.19 45.87 1pk0 s LEU 497 CO -0.03 -0.18 0.11 0.00 0.23 0.00 0.00 176.35 176.47 1pk0 s ALA 498 N 1.85 2.64 0.41 4.21 0.00 -0.71 -4.80 121.76 125.36 1pk0 s ALA 498 Ca 0.03 -2.49 -0.23 0.00 0.00 0.00 0.00 51.96 49.28 1pk0 s ALA 498 Cb -0.12 -1.93 -0.10 0.00 0.00 0.00 0.00 23.12 20.97 1pk0 s ALA 498 CO -0.05 -1.76 0.98 -1.25 0.00 0.00 0.00 175.76 173.68 1pk0 s PRO 499 N 0.82 4.25 0.19 0.00 0.04 -1.25 0.06 135.00 139.11 1pk0 s PRO 499 Ca 0.12 1.27 -0.33 0.00 0.04 0.00 0.00 61.00 62.10 1pk0 s PRO 499 Cb -0.20 -2.38 -0.13 0.00 0.04 0.00 0.00 34.50 31.83 1pk0 s PRO 499 CO -0.10 -0.03 1.66 -1.13 0.04 0.00 0.00 177.00 177.45 1pk0 n SER 500 N -0.30 3.58 -0.19 6.66 3.41 0.20 -1.31 113.62 125.68 1pk0 n SER 500 Ca 0.06 1.07 0.30 0.00 -0.26 0.00 0.00 58.87 60.04 1pk0 n SER 500 Cb 0.52 -1.51 0.67 0.00 -0.26 0.00 0.00 64.21 63.63 1pk0 n SER 500 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1pk0 h LEU 501 N 6.39 0.00 0.75 1.04 6.46 -1.82 0.52 115.31 128.65 1pk0 h LEU 501 Ca -0.44 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.28 1pk0 h LEU 501 Cb 1.23 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1pk0 h LEU 501 CO 0.93 0.00 -0.36 0.71 -0.62 0.00 0.00 178.44 179.10 1pk0 h THR 502 N 0.00 0.24 -1.00 1.05 1.35 -1.86 -3.13 112.91 109.56 1pk0 h THR 502 Ca 0.46 -0.06 0.34 0.00 -0.55 0.00 0.00 66.41 66.59 1pk0 h THR 502 Cb 2.19 0.26 -0.18 0.00 -1.73 0.00 0.00 68.15 68.69 1pk0 h THR 502 CO -0.00 0.01 0.27 -0.33 -0.25 0.00 0.00 175.52 175.21 1pk0 h GLU 503 N -1.05 0.00 0.00 4.72 4.39 -0.29 0.93 114.58 123.28 1pk0 h GLU 503 Ca -0.10 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1pk0 h GLU 503 Cb 0.78 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1pk0 h GLU 503 CO 0.17 0.00 -0.18 0.82 -1.16 0.00 0.00 179.01 178.66 1pk0 h ILE 504 N 0.00 0.82 0.45 3.13 1.08 -1.56 -2.28 117.51 119.15 1pk0 h ILE 504 Ca 0.72 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 1pk0 h ILE 504 Cb 1.72 1.42 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 1pk0 h ILE 504 CO -0.86 0.18 -0.22 0.50 -0.69 0.00 0.00 178.15 177.07 1pk0 h LYS 505 N 0.00 -0.58 -1.52 2.37 3.64 0.85 -2.46 116.57 118.87 1pk0 h LYS 505 Ca -0.00 0.04 0.44 0.00 -1.27 0.00 0.00 60.65 59.86 1pk0 h LYS 505 Cb 0.40 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 1pk0 h LYS 505 CO 0.02 -0.27 1.09 -0.22 -2.27 0.00 0.00 179.45 177.80 1pk0 h LYS 506 N -0.93 0.01 -0.18 1.90 3.64 -1.04 1.15 116.57 121.12 1pk0 h LYS 506 Ca -0.06 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 1pk0 h LYS 506 Cb 0.57 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1pk0 h LYS 506 CO 0.10 0.00 -0.38 0.37 -2.27 0.00 0.00 179.45 177.27 1pk0 h GLN 507 N 0.01 0.39 -6.89 1.90 5.75 -0.94 -3.45 115.11 111.87 1pk0 h GLN 507 Ca 0.73 -0.18 -0.52 0.00 -0.15 0.00 0.00 58.65 58.53 1pk0 h GLN 507 Cb 2.90 -0.00 0.06 0.00 1.07 0.00 0.00 27.48 31.51 1pk0 h GLN 507 CO -0.02 0.71 0.57 0.42 -2.65 0.00 0.00 178.83 177.87 1pk0 s ILE 508 N -4.24 2.93 0.03 2.39 1.01 0.40 -4.98 121.20 118.74 1pk0 s ILE 508 Ca -0.06 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.17 1pk0 s ILE 508 Cb 0.13 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 1pk0 s ILE 508 CO 0.79 0.17 1.25 -2.16 0.00 0.00 0.00 174.94 175.00 1pk0 s PRO 509 N -1.93 4.38 0.57 2.79 0.04 -1.26 -4.88 135.00 134.71 1pk0 s PRO 509 Ca 0.51 1.81 0.36 0.00 0.04 0.00 0.00 61.00 63.73 1pk0 s PRO 509 Cb -0.36 -3.42 1.44 0.00 0.04 0.00 0.00 34.50 32.20 1pk0 s PRO 509 CO 0.47 -0.38 1.65 1.96 0.04 0.00 0.00 177.00 180.75 1pk0 h GLN 510 N 7.13 0.00 0.00 4.56 1.08 -1.93 -2.62 115.11 123.33 1pk0 h GLN 510 Ca -0.39 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1pk0 h GLN 510 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1pk0 h GLN 510 CO 0.85 0.00 -0.00 0.87 -0.95 0.00 0.00 178.83 179.60 1pk0 h LYS 511 N 0.00 -0.00 -0.87 1.46 6.56 -2.00 -3.00 116.57 118.71 1pk0 h LYS 511 Ca 0.58 0.00 0.25 0.00 -1.06 0.00 0.00 60.65 60.42 1pk0 h LYS 511 Cb 2.59 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 34.22 1pk0 h LYS 511 CO -0.01 -0.00 0.91 1.49 -2.06 0.00 0.00 179.45 179.78 1pk0 h GLU 512 N -0.01 0.00 -0.00 3.15 4.81 -1.90 0.32 114.58 120.94 1pk0 h GLU 512 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pk0 h GLU 512 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1pk0 h GLU 512 CO 0.00 0.00 -0.00 2.35 -0.73 0.00 0.00 179.01 180.63 1pk0 h TRP 513 N 0.00 0.01 -0.39 0.92 7.01 -1.58 -3.33 115.95 118.58 1pk0 h TRP 513 Ca 0.41 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.47 1pk0 h TRP 513 Cb 2.22 -0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 29.23 1pk0 h TRP 513 CO 0.00 0.73 0.06 -0.44 -2.79 0.00 0.00 178.44 176.00 1pk0 h ASP 514 N -0.72 -0.02 0.00 2.65 3.32 -0.22 -2.76 116.42 118.66 1pk0 h ASP 514 Ca -0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1pk0 h ASP 514 Cb 0.73 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1pk0 h ASP 514 CO 0.00 0.02 0.00 0.29 -1.72 0.00 0.00 179.24 177.84 1pk0 n LYS 515 N -5.11 0.00 0.00 3.56 5.02 -1.01 -1.64 118.16 118.97 1pk0 n LYS 515 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1pk0 n LYS 515 Cb 0.18 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1pk0 n LYS 515 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1pk0 n VAL 516 N -0.15 0.00 0.03 -0.18 0.24 -1.06 -4.92 118.33 112.28 1pk0 n VAL 516 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1pk0 n VAL 516 Cb 0.00 0.10 -0.09 0.00 -1.47 0.00 0.00 33.84 32.38 1pk0 n VAL 516 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1pk0 h VAL 517 N 0.00 0.62 -0.83 3.34 3.04 -1.05 -3.35 116.25 118.01 1pk0 h VAL 517 Ca 0.00 -2.20 -0.71 0.00 -1.01 0.00 0.00 66.70 62.78 1pk0 h VAL 517 Cb 0.00 2.16 -0.09 0.00 -2.01 0.00 0.00 31.29 31.35 1pk0 h VAL 517 CO 0.00 0.36 2.36 0.59 -1.01 0.00 0.00 177.57 179.87 1pk0 n ASN 518 N -2.95 4.66 -4.22 3.17 3.02 -1.13 -4.63 115.26 113.17 1pk0 n ASN 518 Ca -0.10 -2.92 -0.37 0.00 -0.03 0.00 0.00 54.58 51.16 1pk0 n ASN 518 Cb 0.89 -1.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.34 1pk0 n ASN 518 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1pk0 n THR 519 N 5.37 -0.43 0.51 3.41 5.66 -1.26 -4.82 114.28 122.72 1pk0 n THR 519 Ca 0.47 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.45 1pk0 n THR 519 Cb 0.42 -0.99 0.07 0.00 -1.55 0.00 0.00 70.33 68.29 1pk0 n THR 519 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1pk0 n PRO 520 N -4.05 1.63 -2.66 1.09 -0.02 -1.26 -5.13 135.00 124.60 1pk0 n PRO 520 Ca 0.09 -0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 60.42 1pk0 n PRO 520 Cb 0.47 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.43 1pk0 n PRO 520 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1pk0 s ASN 521 N 0.12 6.24 0.47 2.55 6.03 -1.26 -4.63 114.94 124.46 1pk0 s ASN 521 Ca 0.13 -0.44 0.01 0.00 -1.03 0.00 0.00 52.86 51.54 1pk0 s ASN 521 Cb 0.11 -2.51 0.01 0.00 -3.03 0.00 0.00 41.25 35.82 1pk0 s ASN 521 CO 0.03 -1.60 0.68 -1.61 -2.03 0.00 0.00 177.10 172.57 1pk0 s GLU 524 N 4.99 2.92 0.06 3.55 2.02 -1.26 -5.10 118.70 125.88 1pk0 s GLU 524 Ca 0.33 -0.64 -0.00 0.00 0.02 0.00 0.00 54.97 54.68 1pk0 s GLU 524 Cb -0.10 -2.57 -0.00 0.00 0.10 0.00 0.00 34.13 31.55 1pk0 s GLU 524 CO 0.17 -0.36 -0.01 1.17 0.02 0.00 0.00 175.26 176.25 1pk0 n LYS 525 N -2.10 0.01 -0.50 1.61 4.81 -1.26 -3.84 118.16 116.89 1pk0 n LYS 525 Ca 0.03 0.00 0.41 0.00 -0.87 0.00 0.00 58.31 57.89 1pk0 n LYS 525 Cb 0.58 -0.52 0.67 0.00 0.02 0.00 0.00 35.03 35.78 1pk0 n LYS 525 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1pk0 n GLN 526 N -3.33 -0.03 0.00 1.64 3.00 -1.26 0.23 117.38 117.63 1pk0 n GLN 526 Ca -0.01 1.14 0.02 0.00 -0.01 0.00 0.00 57.00 58.14 1pk0 n GLN 526 Cb 0.20 -2.32 -0.00 0.00 0.00 0.00 0.00 30.24 28.11 1pk0 n GLN 526 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1pk0 n LYS 527 N -4.39 3.27 0.14 -1.09 2.85 -1.26 -4.46 118.16 113.22 1pk0 n LYS 527 Ca 0.39 -0.30 0.02 0.00 -1.05 0.00 0.00 58.31 57.37 1pk0 n LYS 527 Cb 1.58 -0.83 0.10 0.00 -0.65 0.00 0.00 35.03 35.23 1pk0 n LYS 527 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1pk0 h GLY 528 N 0.75 0.00 0.07 2.58 0.00 0.27 -3.07 103.07 103.67 1pk0 h GLY 528 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pk0 h GLY 528 CO 0.00 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 174.43 1pk0 h VAL 529 N 0.00 0.09 -0.98 4.60 2.07 -0.71 -3.06 116.25 118.25 1pk0 h VAL 529 Ca -0.01 -1.00 0.34 0.00 0.82 0.00 0.00 66.70 66.85 1pk0 h VAL 529 Cb 1.30 0.16 -0.16 0.00 -1.52 0.00 0.00 31.29 31.07 1pk0 h VAL 529 CO 0.07 0.03 0.45 0.71 0.02 0.00 0.00 177.57 178.85 1pk0 h THR 530 N -1.02 0.16 0.00 2.57 1.35 -1.78 1.10 112.91 115.29 1pk0 h THR 530 Ca -0.01 -0.05 -0.09 0.00 -0.55 0.00 0.00 66.41 65.71 1pk0 h THR 530 Cb 0.11 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.51 1pk0 h THR 530 CO 0.01 0.03 -0.41 0.78 -0.25 0.00 0.00 175.52 175.69 1pk0 h ASN 531 N 0.15 0.00 0.33 5.36 4.21 -1.64 0.28 115.58 124.28 1pk0 h ASN 531 Ca 0.73 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.24 1pk0 h ASN 531 Cb 1.75 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.95 1pk0 h ASN 531 CO -0.71 0.41 -0.07 0.18 -1.29 0.00 0.00 177.43 175.94 1pk0 n LEU 532 N -3.61 0.39 -0.07 1.61 4.77 0.36 -2.16 117.00 118.29 1pk0 n LEU 532 Ca -0.01 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1pk0 n LEU 532 Cb 0.51 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 1pk0 n LEU 532 CO 0.37 0.07 -0.97 -0.11 -1.33 0.00 0.00 177.39 175.43 1pk0 n LEU 533 N -0.95 1.22 0.10 2.23 7.94 0.11 -3.97 117.00 123.67 1pk0 n LEU 533 Ca 0.16 0.12 -0.05 0.00 -1.11 0.00 0.00 56.01 55.13 1pk0 n LEU 533 Cb 0.25 -0.11 -0.03 0.00 0.53 0.00 0.00 43.42 44.07 1pk0 n LEU 533 CO 0.22 0.61 0.15 0.40 -1.11 0.00 0.00 177.39 177.66 1pk0 h ILE 534 N 0.01 0.00 -0.44 1.96 2.04 -0.34 -1.51 117.51 119.22 1pk0 h ILE 534 Ca -0.46 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 64.80 1pk0 h ILE 534 Cb 2.08 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1pk0 h ILE 534 CO 0.03 0.00 0.29 0.11 0.00 0.00 0.00 178.15 178.58 1pk0 h LYS 535 N -0.99 0.42 -0.36 2.37 1.79 -1.68 0.19 116.57 118.31 1pk0 h LYS 535 Ca -0.04 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1pk0 h LYS 535 Cb 0.26 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1pk0 h LYS 535 CO 0.06 0.28 0.00 0.66 -1.08 0.00 0.00 179.45 179.37 1pk0 n TYR 536 N -4.48 0.48 0.00 -1.35 0.53 -1.25 -4.55 117.16 106.53 1pk0 n TYR 536 Ca 0.05 -0.40 0.00 0.00 -1.02 0.00 0.00 57.90 56.53 1pk0 n TYR 536 Cb 0.19 -0.02 0.00 0.00 -1.03 0.00 0.00 39.34 38.48 1pk0 n TYR 536 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pk0 n GLY 537 N 0.79 0.00 0.11 2.72 0.00 -0.59 -4.86 105.19 103.36 1pk0 n GLY 537 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1pk0 n GLY 537 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pk0 n ILE 538 N -1.28 1.35 -1.71 -0.61 -0.00 0.04 -4.99 119.36 112.16 1pk0 n ILE 538 Ca 0.00 -0.61 -0.43 0.00 -0.00 0.00 0.00 62.75 61.71 1pk0 n ILE 538 Cb 0.00 -1.08 -0.03 0.00 -0.00 0.00 0.00 39.64 38.53 1pk0 n ILE 538 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1pk0 n GLU 539 N -3.04 2.54 -4.29 0.38 2.13 0.43 -5.02 120.64 113.78 1pk0 n GLU 539 Ca -0.39 0.91 -0.17 0.00 0.66 0.00 0.00 57.16 58.17 1pk0 n GLU 539 Cb 1.00 -2.70 -0.10 0.00 0.27 0.00 0.00 31.44 29.90 1pk0 n GLU 539 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pk0 s ARG 540 N 0.48 1.16 0.10 5.31 3.00 -1.26 -4.62 118.95 123.13 1pk0 s ARG 540 Ca 0.72 -1.44 -0.17 0.00 0.00 0.00 0.00 55.73 54.84 1pk0 s ARG 540 Cb -0.56 -0.91 0.04 0.00 0.00 0.00 0.00 34.95 33.52 1pk0 s ARG 540 CO 0.40 0.15 0.41 -1.59 0.00 0.00 0.00 175.30 174.67 1pk0 s LYS 541 N -3.39 1.04 1.37 3.54 -2.85 0.60 -4.89 119.74 115.16 1pk0 s LYS 541 Ca 0.17 -0.61 -0.20 0.00 -1.00 0.00 0.00 55.97 54.34 1pk0 s LYS 541 Cb -0.01 0.46 0.35 0.00 -2.06 0.00 0.00 37.83 36.57 1pk0 s LYS 541 CO 0.04 -0.39 0.92 -2.30 0.10 0.00 0.00 175.35 173.72 1pk0 n PRO 542 N -0.03 -3.95 0.00 1.78 -0.02 -1.26 -1.66 135.00 129.86 1pk0 n PRO 542 Ca -0.17 -1.16 0.00 0.00 -2.02 0.00 0.00 63.50 60.16 1pk0 n PRO 542 Cb 0.63 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1pk0 n PRO 542 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1pk0 n ASP 543 N -5.46 0.00 -0.07 2.55 -0.08 -1.12 -4.76 116.55 107.61 1pk0 n ASP 543 Ca 0.09 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.32 1pk0 n ASP 543 Cb 0.58 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.02 1pk0 n ASP 543 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1pk0 h SER 544 N 0.00 0.00 -0.78 1.67 0.02 -1.97 -3.32 113.55 109.16 1pk0 h SER 544 Ca 0.00 -0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1pk0 h SER 544 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1pk0 h SER 544 CO 0.00 0.75 0.37 0.71 -1.14 0.00 0.00 176.83 177.52 1pk0 h THR 545 N -1.00 0.72 -1.43 -2.27 1.35 -2.00 -3.38 112.91 104.91 1pk0 h THR 545 Ca -0.01 -0.19 -0.44 0.00 -0.55 0.00 0.00 66.41 65.22 1pk0 h THR 545 Cb 0.47 0.13 0.01 0.00 -1.73 0.00 0.00 68.15 67.03 1pk0 h THR 545 CO -0.01 0.10 -0.27 -0.54 -0.25 0.00 0.00 175.52 174.55 1pk0 s LYS 546 N -6.01 2.76 0.00 4.72 3.01 -1.25 -4.47 119.74 118.49 1pk0 s LYS 546 Ca -0.12 -1.31 0.00 0.00 -1.01 0.00 0.00 55.97 53.53 1pk0 s LYS 546 Cb 0.20 -2.69 0.00 0.00 -1.01 0.00 0.00 37.83 34.34 1pk0 s LYS 546 CO 0.77 -0.28 0.00 0.41 0.51 0.00 0.00 175.35 176.76 1pk0 n GLY 547 N -1.81 1.77 3.72 -3.33 0.00 -1.25 -4.27 105.19 100.02 1pk0 n GLY 547 Ca 0.07 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1pk0 n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pk0 s THR 548 N 4.86 4.01 0.00 2.61 2.01 -1.26 -2.80 115.64 125.06 1pk0 s THR 548 Ca 0.00 1.55 0.00 0.00 0.31 0.00 0.00 61.69 63.55 1pk0 s THR 548 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1pk0 s THR 548 CO 0.00 0.18 0.00 0.00 -0.69 0.00 0.00 174.62 174.11 1pk0 n LEU 549 N 3.25 0.00 -4.25 4.42 -0.00 -0.66 -4.25 117.00 115.51 1pk0 n LEU 549 Ca 0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.86 1pk0 n LEU 549 Cb 0.47 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.77 1pk0 n LEU 549 CO 0.55 0.00 -0.49 -0.94 -0.00 0.00 0.00 177.39 176.51 1pk0 s SER 550 N 0.78 2.23 0.14 1.45 1.04 -1.26 -0.29 113.70 117.78 1pk0 s SER 550 Ca 0.00 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.43 1pk0 s SER 550 Cb 0.00 -0.10 -0.08 0.00 0.10 0.00 0.00 66.02 65.94 1pk0 s SER 550 CO 0.00 -0.02 1.50 0.78 0.98 0.00 0.00 173.24 176.48 1pk0 h ASN 551 N 3.96 -1.93 -0.94 7.02 -0.26 -1.96 0.90 115.58 122.37 1pk0 h ASN 551 Ca -0.43 0.28 0.11 0.00 -0.56 0.00 0.00 56.30 55.70 1pk0 h ASN 551 Cb 1.19 0.83 -0.07 0.00 -1.06 0.00 0.00 38.32 39.21 1pk0 h ASN 551 CO 0.43 -0.27 0.60 4.11 -1.06 0.00 0.00 177.43 181.24 1pk0 h TRP 552 N -0.12 1.02 -0.44 1.19 0.09 -1.94 -0.57 115.95 115.17 1pk0 h TRP 552 Ca 0.12 0.03 -0.02 0.00 0.09 0.00 0.00 58.89 59.11 1pk0 h TRP 552 Cb 0.44 -0.33 -0.02 0.00 0.08 0.00 0.00 29.16 29.33 1pk0 h TRP 552 CO -0.93 0.44 0.19 1.96 0.09 0.00 0.00 178.44 180.19 1pk0 h GLN 553 N 0.92 0.65 -0.02 0.12 4.20 -0.16 0.82 115.11 121.64 1pk0 h GLN 553 Ca 0.44 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 59.08 1pk0 h GLN 553 Cb 0.45 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 1pk0 h GLN 553 CO -0.21 0.59 -0.39 -0.22 -0.67 0.00 0.00 178.83 177.93 1pk0 h LYS 554 N 0.57 -0.51 0.28 1.46 3.64 0.20 0.18 116.57 122.38 1pk0 h LYS 554 Ca 0.15 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1pk0 h LYS 554 Cb 0.17 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1pk0 h LYS 554 CO -0.01 -0.34 -0.53 1.96 -2.27 0.00 0.00 179.45 178.26 1pk0 h GLN 555 N -0.53 -0.84 -1.00 1.90 4.20 -0.99 0.11 115.11 117.96 1pk0 h GLN 555 Ca 0.06 0.06 0.29 0.00 0.06 0.00 0.00 58.65 59.11 1pk0 h GLN 555 Cb 0.63 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 1pk0 h GLN 555 CO -0.32 -0.56 0.97 1.98 -0.67 0.00 0.00 178.83 180.24 1pk0 h MET 556 N -0.87 0.00 0.51 1.46 4.05 -0.19 0.39 114.93 120.28 1pk0 h MET 556 Ca -0.03 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1pk0 h MET 556 Cb 0.82 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1pk0 h MET 556 CO -0.20 0.00 -0.24 1.25 0.23 0.00 0.00 176.91 177.95 1pk0 h LEU 557 N 0.00 -0.58 -0.73 3.39 5.85 0.20 -2.73 115.31 120.71 1pk0 h LEU 557 Ca 0.48 0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.36 1pk0 h LEU 557 Cb 2.42 0.15 -0.14 0.00 0.37 0.00 0.00 40.66 43.46 1pk0 h LEU 557 CO -0.01 -0.24 -0.22 0.44 -0.34 0.00 0.00 178.44 178.07 1pk0 h ASP 558 N -1.02 -0.81 -0.95 1.25 3.45 0.30 0.21 116.42 118.84 1pk0 h ASP 558 Ca -0.07 0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.61 1pk0 h ASP 558 Cb 0.52 0.50 -0.05 0.00 -0.56 0.00 0.00 39.33 39.74 1pk0 h ASP 558 CO 0.11 -0.26 0.58 0.03 -1.57 0.00 0.00 179.24 178.13 1pk0 h ARG 559 N -0.03 1.29 -0.15 3.56 3.08 -1.47 0.25 114.38 120.91 1pk0 h ARG 559 Ca 0.34 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1pk0 h ARG 559 Cb 0.55 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1pk0 h ARG 559 CO -0.76 0.90 0.10 -0.07 -1.07 0.00 0.00 179.97 179.06 1pk0 h LEU 560 N 1.31 0.18 0.53 3.04 3.38 -0.36 0.54 115.31 123.94 1pk0 h LEU 560 Ca 0.34 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1pk0 h LEU 560 Cb -0.06 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1pk0 h LEU 560 CO -0.06 0.16 -0.25 0.78 0.09 0.00 0.00 178.44 179.16 1pk0 h ASN 561 N 0.19 -0.60 -0.70 -0.43 2.35 -0.42 -2.62 115.58 113.35 1pk0 h ASN 561 Ca 0.06 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1pk0 h ASN 561 Cb 0.01 0.16 -0.10 0.00 0.05 0.00 0.00 38.32 38.44 1pk0 h ASN 561 CO -0.01 -0.41 -0.54 -0.33 -1.65 0.00 0.00 177.43 174.48 1pk0 h GLU 562 N -0.75 -0.16 -1.41 0.81 5.08 -0.50 0.91 114.58 118.57 1pk0 h GLU 562 Ca -0.07 0.01 0.41 0.00 -1.00 0.00 0.00 59.36 58.71 1pk0 h GLU 562 Cb 0.54 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1pk0 h GLU 562 CO 0.12 -0.11 1.24 0.00 -1.00 0.00 0.00 179.01 179.26 1pk0 n ALA 563 N -3.16 1.36 -0.02 3.43 0.00 0.19 0.28 120.51 122.59 1pk0 n ALA 563 Ca -0.00 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.82 1pk0 n ALA 563 Cb 0.28 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 1pk0 n ALA 563 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1pk0 n VAL 564 N -3.45 1.59 0.04 0.00 0.24 0.31 -4.18 118.33 112.88 1pk0 n VAL 564 Ca 0.32 -0.79 -0.11 0.00 -2.04 0.00 0.00 64.34 61.71 1pk0 n VAL 564 Cb 1.66 -1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.98 1pk0 n VAL 564 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1pk0 h LYS 565 N 0.00 -0.39 -1.66 7.34 1.57 0.18 -0.89 116.57 122.72 1pk0 h LYS 565 Ca -0.29 0.03 0.50 0.00 -1.87 0.00 0.00 60.65 59.02 1pk0 h LYS 565 Cb 2.01 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 34.32 1pk0 h LYS 565 CO 0.08 -0.26 1.17 0.66 -0.57 0.00 0.00 179.45 180.52 1pk0 n TYR 566 N -5.39 0.19 0.76 -1.35 4.02 -1.20 0.26 117.16 114.44 1pk0 n TYR 566 Ca -0.04 0.19 0.13 0.00 -0.01 0.00 0.00 57.90 58.17 1pk0 n TYR 566 Cb 0.31 -0.63 0.49 0.00 -0.02 0.00 0.00 39.34 39.49 1pk0 n TYR 566 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1pk0 n THR 567 N -3.98 0.39 0.00 -0.72 -2.24 -0.34 -4.87 114.28 102.52 1pk0 n THR 567 Ca 0.40 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1pk0 n THR 567 Cb 1.74 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1pk0 n THR 567 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pk0 n GLY 568 N 1.23 1.78 3.61 3.38 0.00 0.73 -5.09 105.19 110.83 1pk0 n GLY 568 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1pk0 n GLY 568 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pk0 s TYR 569 N -2.00 2.93 -0.12 1.61 5.04 -0.95 -4.85 117.35 119.01 1pk0 s TYR 569 Ca 0.00 0.82 -0.21 0.00 -2.44 0.00 0.00 57.07 55.24 1pk0 s TYR 569 Cb 0.00 -4.14 -0.19 0.00 0.35 0.00 0.00 41.96 37.98 1pk0 s TYR 569 CO 0.00 -1.09 0.60 1.79 -1.34 0.00 0.00 175.55 175.52 1pk0 h THR 570 N 6.05 1.29 0.00 4.34 1.35 -1.90 -3.41 112.91 120.63 1pk0 h THR 570 Ca -0.22 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1pk0 h THR 570 Cb 1.06 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1pk0 h THR 570 CO 1.08 0.43 0.09 0.61 -0.25 0.00 0.00 175.52 177.48 1pk0 n GLY 571 N 1.54 0.51 7.00 5.82 0.00 -1.05 -4.91 105.19 114.12 1pk0 n GLY 571 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1pk0 n GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pk0 n GLY 572 N 2.04 2.68 3.81 -0.02 0.00 -1.26 -4.46 105.19 107.98 1pk0 n GLY 572 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1pk0 n GLY 572 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pk0 s ASP 573 N -4.00 6.83 -0.00 1.61 -0.00 -1.26 -4.93 116.67 114.91 1pk0 s ASP 573 Ca 0.00 1.78 0.01 0.00 -0.00 0.00 0.00 52.55 54.34 1pk0 s ASP 573 Cb 0.00 -2.55 -0.02 0.00 -0.00 0.00 0.00 42.92 40.35 1pk0 s ASP 573 CO 0.00 -0.44 0.04 1.33 -0.00 0.00 0.00 175.17 176.10 1pk0 n VAL 574 N -0.58 0.00 -3.99 -1.27 0.24 -1.26 -4.30 118.33 107.17 1pk0 n VAL 574 Ca 0.07 -0.17 -0.31 0.00 -2.04 0.00 0.00 64.34 61.89 1pk0 n VAL 574 Cb 0.53 0.64 -0.15 0.00 -1.47 0.00 0.00 33.84 33.39 1pk0 n VAL 574 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1pk0 s VAL 575 N -1.80 2.14 -2.52 3.34 1.01 -1.26 -0.68 120.40 120.63 1pk0 s VAL 575 Ca -0.00 -2.26 0.25 0.00 0.00 0.00 0.00 61.98 59.97 1pk0 s VAL 575 Cb 0.01 -2.59 0.25 0.00 0.00 0.00 0.00 36.38 34.05 1pk0 s VAL 575 CO 0.06 -0.61 1.38 0.59 0.00 0.00 0.00 175.10 176.52 1pk0 n ASN 576 N 4.30 2.19 -3.63 3.32 3.02 -1.26 -4.94 115.26 118.26 1pk0 n ASN 576 Ca 0.03 -1.64 -0.03 0.00 -0.03 0.00 0.00 54.58 52.91 1pk0 n ASN 576 Cb 0.42 0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.69 1pk0 n ASN 576 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1pk0 s HIS 577 N -2.16 -0.14 0.97 3.10 -3.43 -1.26 -3.89 115.29 108.47 1pk0 s HIS 577 Ca 0.28 -0.01 -0.14 0.00 -0.80 0.00 0.00 55.06 54.39 1pk0 s HIS 577 Cb 0.20 0.56 -0.00 0.00 -1.43 0.00 0.00 32.58 31.90 1pk0 s HIS 577 CO 0.39 -0.45 0.11 0.41 -2.00 0.00 0.00 174.74 173.20 1pk0 n GLY 578 N -0.35 -2.62 3.76 -1.38 0.00 -1.26 -4.77 105.19 98.57 1pk0 n GLY 578 Ca -0.06 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 1pk0 n GLY 578 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pk0 s THR 579 N -2.30 3.12 0.58 2.61 -4.23 -1.26 -4.83 115.64 109.32 1pk0 s THR 579 Ca 0.53 0.45 0.28 0.00 -1.18 0.00 0.00 61.69 61.77 1pk0 s THR 579 Cb -0.20 -2.93 0.39 0.00 1.34 0.00 0.00 72.50 71.10 1pk0 s THR 579 CO 0.71 -0.39 1.96 -0.08 -0.54 0.00 0.00 174.62 176.27 1pk0 h GLU 580 N -0.57 0.00 0.00 3.99 4.57 -0.89 0.53 114.58 122.21 1pk0 h GLU 580 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1pk0 h GLU 580 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1pk0 h GLU 580 CO 0.52 0.00 0.00 1.04 -1.18 0.00 0.00 179.01 179.39 1pk0 n GLN 581 N -3.87 0.14 -0.00 1.92 1.13 -1.23 -0.50 117.38 114.98 1pk0 n GLN 581 Ca 0.08 0.19 0.01 0.00 -1.94 0.00 0.00 57.00 55.33 1pk0 n GLN 581 Cb 0.60 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.46 1pk0 n GLN 581 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1pk0 n ASP 582 N -1.27 1.33 -4.06 1.08 8.00 0.18 -3.41 116.55 118.40 1pk0 n ASP 582 Ca 0.05 -1.28 -0.43 0.00 0.71 0.00 0.00 54.79 53.84 1pk0 n ASP 582 Cb 0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1pk0 n ASP 582 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pk0 n ASN 583 N -0.05 5.03 0.23 -2.24 5.15 0.35 -4.76 115.26 118.96 1pk0 n ASN 583 Ca 0.01 -3.04 0.12 0.00 -0.60 0.00 0.00 54.58 51.07 1pk0 n ASN 583 Cb 0.08 -1.53 0.25 0.00 -0.53 0.00 0.00 39.78 38.05 1pk0 n ASN 583 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1pk0 h GLU 584 N 6.24 0.00 0.11 1.20 5.08 -1.86 -3.26 114.58 122.10 1pk0 h GLU 584 Ca 0.39 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.43 1pk0 h GLU 584 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1pk0 h GLU 584 CO 1.53 0.02 -1.69 0.93 -1.00 0.00 0.00 179.01 178.81 1pk0 h GLU 585 N 0.00 0.23 -2.10 2.33 5.08 -1.97 -3.40 114.58 114.75 1pk0 h GLU 585 Ca -0.00 -0.40 -0.57 0.00 -1.00 0.00 0.00 59.36 57.39 1pk0 h GLU 585 Cb 0.94 0.15 -0.40 0.00 0.50 0.00 0.00 28.75 29.94 1pk0 h GLU 585 CO 0.00 1.07 -0.96 1.19 -1.00 0.00 0.00 179.01 179.31 1pk0 n PHE 586 N -3.42 0.64 -2.34 4.33 3.01 -1.26 -0.75 117.46 117.68 1pk0 n PHE 586 Ca -0.21 -3.70 -0.41 0.00 1.01 0.00 0.00 57.45 54.14 1pk0 n PHE 586 Cb 1.05 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 40.13 1pk0 n PHE 586 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1pk0 s PRO 587 N -1.40 4.48 -0.19 -1.08 0.04 -1.23 -5.00 135.00 130.61 1pk0 s PRO 587 Ca 0.36 1.93 -0.09 0.00 0.04 0.00 0.00 61.00 63.23 1pk0 s PRO 587 Cb 0.15 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 1pk0 s PRO 587 CO -0.10 -0.10 0.12 -1.21 0.04 0.00 0.00 177.00 175.76 1pk0 s GLU 588 N -0.44 4.09 -0.58 4.56 0.41 -1.26 -4.89 118.70 120.59 1pk0 s GLU 588 Ca 0.52 -0.22 -0.08 0.00 -0.41 0.00 0.00 54.97 54.78 1pk0 s GLU 588 Cb -0.34 -3.38 0.15 0.00 -1.78 0.00 0.00 34.13 28.79 1pk0 s GLU 588 CO 0.38 0.34 0.45 0.21 -0.49 0.00 0.00 175.26 176.16 1pk0 s LYS 589 N 0.23 2.71 0.41 1.61 2.36 -1.26 -5.07 119.74 120.73 1pk0 s LYS 589 Ca 0.08 -2.12 -0.13 0.00 -2.55 0.00 0.00 55.97 51.25 1pk0 s LYS 589 Cb -0.11 -3.96 -0.07 0.00 -1.05 0.00 0.00 37.83 32.63 1pk0 s LYS 589 CO -0.01 -1.21 0.81 -0.51 1.55 0.00 0.00 175.35 175.98 1pk0 s ASP 590 N 1.99 6.59 -0.10 1.43 1.01 -1.26 -5.02 116.67 121.31 1pk0 s ASP 590 Ca 0.11 1.25 -0.14 0.00 0.71 0.00 0.00 52.55 54.48 1pk0 s ASP 590 Cb -0.21 -2.37 -0.12 0.00 1.01 0.00 0.00 42.92 41.22 1pk0 s ASP 590 CO -0.03 -0.40 0.44 0.78 0.21 0.00 0.00 175.17 176.17 1pk0 h ASN 591 N 1.36 -0.05 -3.79 0.27 2.35 -1.96 -3.39 115.58 110.37 1pk0 h ASN 591 Ca -0.47 -0.41 -0.63 0.00 -0.55 0.00 0.00 56.30 54.23 1pk0 h ASN 591 Cb 1.18 0.01 -0.15 0.00 0.05 0.00 0.00 38.32 39.41 1pk0 h ASN 591 CO 0.64 0.63 -0.34 -1.61 -1.65 0.00 0.00 177.43 175.10 1pk0 s GLU 592 N -2.17 3.99 -0.06 0.81 2.02 -1.26 -3.17 118.70 118.86 1pk0 s GLU 592 Ca -0.09 -0.09 -0.02 0.00 0.02 0.00 0.00 54.97 54.78 1pk0 s GLU 592 Cb -0.01 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 1pk0 s GLU 592 CO 0.33 -0.24 0.06 0.42 0.02 0.00 0.00 175.26 175.85 1pk0 s ILE 593 N 1.94 4.70 -0.26 -1.63 -1.09 -1.22 -3.84 121.20 119.80 1pk0 s ILE 593 Ca 0.12 -0.21 -0.07 0.00 -2.23 0.00 0.00 60.65 58.25 1pk0 s ILE 593 Cb -0.16 -3.05 -0.02 0.00 -1.58 0.00 0.00 42.46 37.65 1pk0 s ILE 593 CO 0.10 0.52 0.07 0.12 -1.23 0.00 0.00 174.94 174.52 1pk0 s PHE 594 N -1.02 3.10 -0.04 3.97 5.36 -0.38 -1.66 117.98 127.30 1pk0 s PHE 594 Ca 0.17 -0.61 0.05 0.00 -0.96 0.00 0.00 56.93 55.58 1pk0 s PHE 594 Cb -0.12 -2.25 -0.02 0.00 -0.34 0.00 0.00 43.02 40.29 1pk0 s PHE 594 CO 0.07 -0.44 -0.17 0.42 -1.46 0.00 0.00 175.22 173.64 1pk0 s ILE 595 N 1.58 2.82 -0.24 3.12 1.01 0.94 0.07 121.20 130.50 1pk0 s ILE 595 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.88 1pk0 s ILE 595 Cb -0.16 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.29 1pk0 s ILE 595 CO 0.03 0.57 -0.08 -0.63 0.00 0.00 0.00 174.94 174.84 1pk0 s ILE 596 N -0.72 1.74 0.55 2.92 1.01 0.37 -0.67 121.20 126.40 1pk0 s ILE 596 Ca 0.11 -1.34 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 1pk0 s ILE 596 Cb -0.10 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1pk0 s ILE 596 CO 0.00 -0.06 0.96 0.54 0.00 0.00 0.00 174.94 176.39 1pk0 s ASN 597 N 1.30 6.38 0.00 3.58 2.20 -1.11 -1.38 114.94 125.92 1pk0 s ASN 597 Ca -0.07 1.37 0.00 0.00 -0.94 0.00 0.00 52.86 53.23 1pk0 s ASN 597 Cb -0.19 -2.44 0.00 0.00 -2.00 0.00 0.00 41.25 36.62 1pk0 s ASN 597 CO -0.06 -0.70 0.70 -0.81 -2.94 0.00 0.00 177.10 173.29 1pk0 n PRO 598 N -2.19 0.00 0.11 3.55 -0.04 -1.26 0.15 135.00 135.32 1pk0 n PRO 598 Ca 0.05 0.23 -0.19 0.00 -0.04 0.00 0.00 63.50 63.56 1pk0 n PRO 598 Cb 0.54 -1.70 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1pk0 n PRO 598 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pk0 h GLU 599 N 0.00 0.34 0.00 0.54 3.07 -1.90 -3.29 114.58 113.34 1pk0 h GLU 599 Ca 0.00 -0.59 0.00 0.00 -0.50 0.00 0.00 59.36 58.27 1pk0 h GLU 599 Cb 0.40 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1pk0 h GLU 599 CO 0.00 1.27 0.00 0.41 -1.40 0.00 0.00 179.01 179.29 1pk0 n GLY 600 N 1.61 1.32 3.91 -3.84 0.00 0.40 -4.85 105.19 103.74 1pk0 n GLY 600 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1pk0 n GLY 600 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pk0 s GLU 601 N -0.38 3.14 -0.18 1.61 2.02 -1.25 -4.85 118.70 118.81 1pk0 s GLU 601 Ca 0.00 0.06 -0.02 0.00 0.02 0.00 0.00 54.97 55.03 1pk0 s GLU 601 Cb 0.00 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 1pk0 s GLU 601 CO 0.00 -0.53 -0.08 -0.06 0.02 0.00 0.00 175.26 174.62 1pk0 s PHE 602 N -2.90 2.91 0.02 1.61 2.99 -1.26 -2.75 117.98 118.60 1pk0 s PHE 602 Ca 0.52 -0.76 0.05 0.00 0.00 0.00 0.00 56.93 56.74 1pk0 s PHE 602 Cb -0.10 -1.99 -0.02 0.00 0.00 0.00 0.00 43.02 40.91 1pk0 s PHE 602 CO 0.45 -0.37 -0.16 0.42 -0.00 0.00 0.00 175.22 175.56 1pk0 s ILE 603 N 0.92 1.27 -0.29 0.64 -1.09 0.15 -0.97 121.20 121.84 1pk0 s ILE 603 Ca -0.01 -0.93 -0.01 0.00 -2.23 0.00 0.00 60.65 57.47 1pk0 s ILE 603 Cb -0.15 -1.11 0.09 0.00 -1.58 0.00 0.00 42.46 39.71 1pk0 s ILE 603 CO 0.00 0.17 0.07 -0.22 -1.23 0.00 0.00 174.94 173.73 1pk0 s LEU 604 N -0.88 2.19 0.41 2.97 0.20 -0.68 -0.04 118.68 122.84 1pk0 s LEU 604 Ca 0.04 -1.48 -0.25 0.00 0.69 0.00 0.00 54.13 53.13 1pk0 s LEU 604 Cb -0.07 -0.88 -0.10 0.00 -0.43 0.00 0.00 46.19 44.71 1pk0 s LEU 604 CO 0.01 -0.38 1.20 0.35 -0.29 0.00 0.00 176.35 177.24 1pk0 n THR 605 N 4.84 2.50 0.03 3.68 -2.24 -0.67 -2.84 114.28 119.58 1pk0 n THR 605 Ca -0.04 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.13 1pk0 n THR 605 Cb 0.43 -1.45 -0.14 0.00 -2.10 0.00 0.00 70.33 67.08 1pk0 n THR 605 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1pk0 h LYS 606 N 1.97 0.08 -2.60 -0.78 1.79 -1.82 -3.24 116.57 111.97 1pk0 h LYS 606 Ca -0.47 -0.14 -0.07 0.00 -2.18 0.00 0.00 60.65 57.79 1pk0 h LYS 606 Cb 1.31 0.05 -0.18 0.00 -1.58 0.00 0.00 32.23 31.83 1pk0 h LYS 606 CO 0.59 0.84 0.02 0.54 -1.08 0.00 0.00 179.45 180.36 1pk0 s ASN 607 N -6.55 -0.45 0.22 0.86 4.22 -1.22 -4.35 114.94 107.68 1pk0 s ASN 607 Ca -0.05 0.32 -0.14 0.00 -2.14 0.00 0.00 52.86 50.85 1pk0 s ASN 607 Cb 0.08 0.47 0.28 0.00 1.28 0.00 0.00 41.25 43.36 1pk0 s ASN 607 CO 0.83 -0.63 1.43 1.87 -2.04 0.00 0.00 177.10 178.56 1pk0 n TRP 608 N 0.73 0.11 -0.34 1.54 -0.00 -1.19 0.17 117.44 118.47 1pk0 n TRP 608 Ca -0.19 1.13 0.08 0.00 -0.00 0.00 0.00 57.50 58.52 1pk0 n TRP 608 Cb 0.58 -0.90 0.25 0.00 -0.00 0.00 0.00 31.31 31.25 1pk0 n TRP 608 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1pk0 h GLU 609 N 0.00 0.84 -0.14 5.87 3.07 -1.96 -1.50 114.58 120.76 1pk0 h GLU 609 Ca 0.35 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 1pk0 h GLU 609 Cb 0.58 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1pk0 h GLU 609 CO -0.92 0.55 -0.02 1.98 -1.40 0.00 0.00 179.01 179.20 1pk0 h MET 610 N 0.86 0.26 -0.75 2.33 4.05 0.14 -2.69 114.93 119.14 1pk0 h MET 610 Ca 0.50 -0.10 0.19 0.00 -0.28 0.00 0.00 59.70 60.02 1pk0 h MET 610 Cb 0.60 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 1pk0 h MET 610 CO -0.31 0.54 0.52 1.15 0.23 0.00 0.00 176.91 179.04 1pk0 h THR 611 N -0.03 0.69 -0.37 -0.77 2.02 -0.32 0.95 112.91 115.07 1pk0 h THR 611 Ca 0.04 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 1pk0 h THR 611 Cb 0.43 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1pk0 h THR 611 CO 0.01 0.03 -0.05 1.23 0.37 0.00 0.00 175.52 177.11 1pk0 h GLY 612 N 0.17 0.75 0.83 2.16 0.00 -0.97 -2.46 103.07 103.55 1pk0 h GLY 612 Ca 0.36 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1pk0 h GLY 612 CO -0.06 0.54 -0.00 3.21 0.00 0.00 0.00 176.54 180.23 1pk0 h ARG 613 N 0.50 -0.00 -0.23 4.80 2.47 -0.69 -1.19 114.38 120.05 1pk0 h ARG 613 Ca 0.10 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.88 1pk0 h ARG 613 Cb 0.55 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.80 1pk0 h ARG 613 CO 0.03 0.16 -0.24 0.35 0.56 0.00 0.00 179.97 180.83 1pk0 h PHE 614 N -0.17 -0.64 -0.90 3.04 3.57 -1.17 0.26 116.94 120.93 1pk0 h PHE 614 Ca -0.00 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1pk0 h PHE 614 Cb 0.17 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 1pk0 h PHE 614 CO -0.02 -0.32 0.59 0.82 -2.23 0.00 0.00 178.31 177.15 1pk0 h ILE 615 N -0.25 1.10 0.54 1.41 2.04 -1.30 -0.52 117.51 120.54 1pk0 h ILE 615 Ca 0.13 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1pk0 h ILE 615 Cb 0.46 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1pk0 h ILE 615 CO -0.38 0.19 -0.26 -0.08 0.00 0.00 0.00 178.15 177.63 1pk0 h GLU 616 N 1.07 -0.70 -0.81 2.37 4.81 0.12 0.65 114.58 122.09 1pk0 h GLU 616 Ca 0.37 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.61 1pk0 h GLU 616 Cb 0.12 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1pk0 h GLU 616 CO -0.13 -0.41 0.35 -0.22 -0.73 0.00 0.00 179.01 177.88 1pk0 h LYS 617 N -1.10 1.19 -0.02 1.92 3.64 -0.45 -2.54 116.57 119.22 1pk0 h LYS 617 Ca -0.07 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1pk0 h LYS 617 Cb 0.61 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1pk0 h LYS 617 CO 0.12 0.94 -0.08 0.09 -2.27 0.00 0.00 179.45 178.26 1pk0 n ASN 618 N -4.30 2.13 0.00 4.20 5.03 -0.21 -4.59 115.26 117.51 1pk0 n ASN 618 Ca 0.08 -1.56 0.00 0.00 0.87 0.00 0.00 54.58 53.96 1pk0 n ASN 618 Cb 0.17 0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 1pk0 n ASN 618 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1pk0 n ILE 619 N 0.64 0.00 0.21 2.41 5.41 -0.38 -4.62 119.36 123.02 1pk0 n ILE 619 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.85 1pk0 n ILE 619 Cb 0.38 -0.29 0.11 0.00 -0.71 0.00 0.00 39.64 39.13 1pk0 n ILE 619 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1pk0 n THR 620 N -1.78 0.54 -0.20 1.39 5.66 0.08 -0.73 114.28 119.23 1pk0 n THR 620 Ca 0.00 0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1pk0 n THR 620 Cb 0.00 -1.07 0.00 0.00 -1.55 0.00 0.00 70.33 67.71 1pk0 n THR 620 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pk0 n GLY 621 N -0.87 1.85 2.59 1.09 0.00 -0.96 -4.81 105.19 104.10 1pk0 n GLY 621 Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1pk0 n GLY 621 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pk0 n LYS 622 N -0.41 1.93 -3.73 1.61 3.00 0.09 -4.97 118.16 115.68 1pk0 n LYS 622 Ca 0.00 -3.70 -0.25 0.00 -0.00 0.00 0.00 58.31 54.36 1pk0 n LYS 622 Cb 0.30 -1.60 0.02 0.00 0.00 0.00 0.00 35.03 33.75 1pk0 n LYS 622 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1pk0 n ASP 623 N -0.20 -2.54 -4.00 3.14 8.00 -1.25 -4.87 116.55 114.84 1pk0 n ASP 623 Ca 0.20 -0.92 -0.15 0.00 0.71 0.00 0.00 54.79 54.63 1pk0 n ASP 623 Cb 0.76 -3.66 -0.13 0.00 -0.02 0.00 0.00 41.12 38.06 1pk0 n ASP 623 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pk0 s TYR 624 N -3.67 0.55 0.01 1.24 1.51 -1.23 -2.58 117.35 113.18 1pk0 s TYR 624 Ca 0.17 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 1pk0 s TYR 624 Cb -0.06 -0.34 -0.05 0.00 -0.11 0.00 0.00 41.96 41.40 1pk0 s TYR 624 CO 0.84 -0.03 1.22 -1.17 -1.11 0.00 0.00 175.55 175.30 1pk0 s LEU 625 N -0.64 4.33 -0.24 -1.29 2.96 -0.43 -4.62 118.68 118.74 1pk0 s LEU 625 Ca -0.02 1.95 -0.21 0.00 -0.22 0.00 0.00 54.13 55.63 1pk0 s LEU 625 Cb -0.05 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.14 1pk0 s LEU 625 CO 0.00 -0.54 0.63 -0.47 -1.32 0.00 0.00 176.35 174.65 1pk0 s TYR 626 N 1.67 -0.74 0.00 5.38 5.04 -1.26 -3.74 117.35 123.70 1pk0 s TYR 626 Ca 0.58 1.74 0.00 0.00 -2.44 0.00 0.00 57.07 56.96 1pk0 s TYR 626 Cb -0.28 0.29 -0.00 0.00 0.35 0.00 0.00 41.96 42.32 1pk0 s TYR 626 CO 0.26 -0.36 -0.01 1.52 -1.34 0.00 0.00 175.55 175.62 1pk0 s TYR 627 N 0.55 0.11 -0.01 4.97 -0.85 -1.26 -5.04 117.35 115.83 1pk0 s TYR 627 Ca -0.02 -0.07 -0.01 0.00 -0.52 0.00 0.00 57.07 56.45 1pk0 s TYR 627 Cb -0.05 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.18 1pk0 s TYR 627 CO -0.02 -0.02 0.10 -0.59 -1.52 0.00 0.00 175.55 173.49 1pk0 s PHE 628 N -0.18 3.34 -0.36 -3.49 -0.12 -1.26 -4.92 117.98 110.98 1pk0 s PHE 628 Ca -0.01 0.24 -0.34 0.00 -0.05 0.00 0.00 56.93 56.76 1pk0 s PHE 628 Cb -0.01 -1.76 -0.14 0.00 -0.63 0.00 0.00 43.02 40.47 1pk0 s PHE 628 CO -0.00 0.57 1.19 -1.71 -0.05 0.00 0.00 175.22 175.22 1pk0 n ASN 629 N 1.15 0.85 0.04 1.98 5.15 -1.22 -4.78 115.26 118.45 1pk0 n ASN 629 Ca -0.13 0.84 0.03 0.00 -0.60 0.00 0.00 54.58 54.72 1pk0 n ASN 629 Cb 0.53 -0.64 0.18 0.00 -0.53 0.00 0.00 39.78 39.32 1pk0 n ASN 629 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1pk0 n ARG 630 N 3.09 0.04 0.12 1.20 1.74 -1.26 -0.96 116.66 120.62 1pk0 n ARG 630 Ca 0.24 0.52 0.07 0.00 -0.77 0.00 0.00 57.85 57.91 1pk0 n ARG 630 Cb -0.04 -1.63 0.02 0.00 -1.02 0.00 0.00 32.46 29.79 1pk0 n ARG 630 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1pk0 h SER 631 N 0.00 0.00 -2.97 0.55 0.02 -1.86 -3.46 113.55 105.84 1pk0 h SER 631 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1pk0 h SER 631 Cb 0.02 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.71 1pk0 h SER 631 CO 0.00 0.24 -0.09 -1.22 -1.14 0.00 0.00 176.83 174.62 1pk0 n TYR 632 N -2.92 0.32 -1.33 3.45 0.53 -0.14 -0.81 117.16 116.26 1pk0 n TYR 632 Ca -0.01 0.52 -0.11 0.00 -1.02 0.00 0.00 57.90 57.27 1pk0 n TYR 632 Cb 0.65 -2.10 -0.05 0.00 -1.03 0.00 0.00 39.34 36.82 1pk0 n TYR 632 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1pk0 n ASN 633 N 0.45 -4.89 -3.87 7.72 5.03 0.10 -4.92 115.26 114.88 1pk0 n ASN 633 Ca 0.11 0.28 -0.14 0.00 0.87 0.00 0.00 54.58 55.70 1pk0 n ASN 633 Cb 0.42 -3.40 -0.09 0.00 -1.02 0.00 0.00 39.78 35.69 1pk0 n ASN 633 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1pk0 s LYS 634 N -2.84 1.43 -0.56 3.52 1.02 0.01 -5.06 119.74 117.26 1pk0 s LYS 634 Ca 0.00 -1.75 -0.20 0.00 0.02 0.00 0.00 55.97 54.04 1pk0 s LYS 634 Cb 0.00 0.30 0.07 0.00 -0.52 0.00 0.00 37.83 37.68 1pk0 s LYS 634 CO 0.00 -0.50 0.75 0.42 -0.92 0.00 0.00 175.35 175.10 1pk0 s ILE 635 N -3.87 4.69 0.10 2.17 1.01 -1.26 -4.37 121.20 119.67 1pk0 s ILE 635 Ca 0.39 -0.46 -0.36 0.00 0.00 0.00 0.00 60.65 60.21 1pk0 s ILE 635 Cb 0.05 -4.45 -0.16 0.00 0.01 0.00 0.00 42.46 37.91 1pk0 s ILE 635 CO 0.17 -1.04 1.40 0.00 0.00 0.00 0.00 174.94 175.47 1pk0 n ALA 636 N 6.68 -0.43 -0.05 9.38 0.00 0.49 -4.84 120.51 131.74 1pk0 n ALA 636 Ca -0.05 0.50 -0.08 0.00 0.00 0.00 0.00 53.44 53.80 1pk0 n ALA 636 Cb 0.45 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 1pk0 n ALA 636 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pk0 h PRO 637 N 4.87 0.13 0.96 0.00 0.11 -1.77 0.80 132.00 137.11 1pk0 h PRO 637 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1pk0 h PRO 637 Cb 1.32 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.41 1pk0 h PRO 637 CO 0.80 0.09 -0.46 0.78 -0.21 0.00 0.00 178.00 179.00 1pk0 h GLY 638 N 0.14 -1.35 -1.17 -0.55 0.00 -1.23 -3.34 103.07 95.57 1pk0 h GLY 638 Ca 0.10 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1pk0 h GLY 638 CO -0.14 -0.49 0.00 1.16 0.00 0.00 0.00 176.54 177.07 1pk0 n ASN 639 N -5.51 2.94 -1.71 0.19 2.04 -1.02 -4.96 115.26 107.24 1pk0 n ASN 639 Ca -0.16 -2.13 -0.19 0.00 -0.44 0.00 0.00 54.58 51.65 1pk0 n ASN 639 Cb 0.51 -0.25 -0.07 0.00 -2.53 0.00 0.00 39.78 37.44 1pk0 n ASN 639 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1pk0 n LYS 640 N 0.27 -1.49 -1.68 -3.83 4.76 0.27 -4.93 118.16 111.53 1pk0 n LYS 640 Ca 0.12 1.09 -0.34 0.00 -2.87 0.00 0.00 58.31 56.30 1pk0 n LYS 640 Cb 0.47 -5.50 0.07 0.00 -1.84 0.00 0.00 35.03 28.22 1pk0 n LYS 640 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pk0 s ALA 641 N -2.68 2.32 -0.50 7.82 0.00 -1.23 -4.53 121.76 122.95 1pk0 s ALA 641 Ca 0.00 0.84 0.05 0.00 0.00 0.00 0.00 51.96 52.85 1pk0 s ALA 641 Cb 0.00 -3.43 0.20 0.00 0.00 0.00 0.00 23.12 19.89 1pk0 s ALA 641 CO 0.00 -1.53 0.47 0.98 0.00 0.00 0.00 175.76 175.68 1pk0 n TYR 642 N -2.32 0.73 -3.14 0.00 9.36 -1.26 -0.38 117.16 120.14 1pk0 n TYR 642 Ca 0.13 -3.70 -0.40 0.00 3.32 0.00 0.00 57.90 57.25 1pk0 n TYR 642 Cb 0.50 -0.19 -0.06 0.00 -0.63 0.00 0.00 39.34 38.96 1pk0 n TYR 642 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1pk0 s ILE 643 N -0.92 5.04 0.21 2.97 1.09 -1.26 -4.88 121.20 123.44 1pk0 s ILE 643 Ca 0.33 1.13 -0.08 0.00 -1.10 0.00 0.00 60.65 60.93 1pk0 s ILE 643 Cb 0.07 -3.92 -0.07 0.00 -1.06 0.00 0.00 42.46 37.48 1pk0 s ILE 643 CO -0.15 0.12 0.50 -1.61 -0.10 0.00 0.00 174.94 173.70 1pk0 s GLU 644 N 1.88 3.74 0.01 2.79 2.02 -1.26 0.02 118.70 127.90 1pk0 s GLU 644 Ca 0.28 0.15 -0.17 0.00 0.02 0.00 0.00 54.97 55.25 1pk0 s GLU 644 Cb -0.16 -2.70 0.03 0.00 0.10 0.00 0.00 34.13 31.40 1pk0 s GLU 644 CO 0.10 0.35 0.36 -0.46 0.02 0.00 0.00 175.26 175.63 1pk0 s TRP 645 N -1.79 -0.22 -0.25 1.61 -0.11 -1.26 -4.86 118.94 112.07 1pk0 s TRP 645 Ca 0.45 0.24 -0.29 0.00 1.22 0.00 0.00 56.10 57.72 1pk0 s TRP 645 Cb -0.11 0.15 0.00 0.00 -1.50 0.00 0.00 33.47 32.01 1pk0 s TRP 645 CO 0.23 -0.48 1.20 0.99 -4.62 0.00 0.00 176.95 174.26 1pk0 s THR 646 N -1.94 4.35 -0.59 5.86 2.01 -1.26 -4.87 115.64 119.20 1pk0 s THR 646 Ca -0.09 1.59 -0.05 0.00 0.31 0.00 0.00 61.69 63.46 1pk0 s THR 646 Cb -0.03 -4.18 0.15 0.00 0.01 0.00 0.00 72.50 68.46 1pk0 s THR 646 CO 0.01 -0.31 0.43 -0.62 -0.69 0.00 0.00 174.62 173.44 1pk0 s ASP 647 N 2.02 5.46 0.36 3.53 -1.08 -1.26 -4.96 116.67 120.74 1pk0 s ASP 647 Ca 0.51 -2.59 0.18 0.00 -0.52 0.00 0.00 52.55 50.14 1pk0 s ASP 647 Cb -0.17 -1.91 1.25 0.00 -1.46 0.00 0.00 42.92 40.63 1pk0 s ASP 647 CO 0.16 -0.46 1.60 -0.65 0.52 0.00 0.00 175.17 176.34 1pk0 h PRO 648 N 7.45 0.09 -0.74 4.34 0.11 -1.98 0.85 132.00 142.12 1pk0 h PRO 648 Ca -0.04 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.20 1pk0 h PRO 648 Cb 0.99 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.99 1pk0 h PRO 648 CO 0.73 0.06 0.28 0.82 -0.21 0.00 0.00 178.00 179.68 1pk0 h ILE 649 N 0.09 0.66 0.00 4.15 2.04 -1.93 0.74 117.51 123.26 1pk0 h ILE 649 Ca 0.81 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 66.52 1pk0 h ILE 649 Cb 2.05 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1pk0 h ILE 649 CO -0.73 0.08 0.00 0.74 0.00 0.00 0.00 178.15 178.24 1pk0 h THR 650 N 0.42 0.00 0.00 -0.27 2.02 0.26 -3.33 112.91 112.01 1pk0 h THR 650 Ca 0.40 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1pk0 h THR 650 Cb 0.61 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1pk0 h THR 650 CO -0.40 0.00 0.00 1.17 0.37 0.00 0.00 175.52 176.66 1pk0 n LYS 651 N -2.66 0.00 -1.52 6.66 3.00 0.26 -2.97 118.16 120.93 1pk0 n LYS 651 Ca 0.04 0.13 -0.42 0.00 -0.00 0.00 0.00 58.31 58.06 1pk0 n LYS 651 Cb 0.41 -0.93 -0.02 0.00 0.00 0.00 0.00 35.03 34.49 1pk0 n LYS 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pk0 n ALA 652 N -0.98 4.87 -0.92 3.14 0.00 -0.99 -4.59 120.51 121.04 1pk0 n ALA 652 Ca 0.00 -3.66 0.07 0.00 0.00 0.00 0.00 53.44 49.85 1pk0 n ALA 652 Cb 0.00 -3.56 0.40 0.00 0.00 0.00 0.00 19.45 16.29 1pk0 n ALA 652 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pk0 n LYS 653 N 6.30 4.80 -2.06 0.00 3.00 -1.16 -4.62 118.16 124.42 1pk0 n LYS 653 Ca 0.52 -3.16 -0.40 0.00 -0.00 0.00 0.00 58.31 55.27 1pk0 n LYS 653 Cb 0.39 -2.26 -0.00 0.00 0.00 0.00 0.00 35.03 33.16 1pk0 n LYS 653 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1pk0 n ILE 654 N 0.54 5.33 -4.16 3.15 -5.35 -1.26 -4.89 119.36 112.73 1pk0 n ILE 654 Ca 0.28 -4.50 -0.14 0.00 -0.27 0.00 0.00 62.75 58.12 1pk0 n ILE 654 Cb 1.20 -2.01 -0.05 0.00 -1.74 0.00 0.00 39.64 37.04 1pk0 n ILE 654 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pk0 n ASN 655 N 1.51 -0.68 -3.68 7.28 5.03 -1.26 -4.45 115.26 119.02 1pk0 n ASN 655 Ca 0.61 -2.65 -0.12 0.00 0.87 0.00 0.00 54.58 53.29 1pk0 n ASN 655 Cb 0.25 1.47 -0.09 0.00 -1.02 0.00 0.00 39.78 40.39 1pk0 n ASN 655 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1pk0 s THR 656 N -2.97 -0.01 0.00 3.41 -4.23 -1.26 -4.95 115.64 105.63 1pk0 s THR 656 Ca 0.29 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1pk0 s THR 656 Cb 0.01 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 73.08 1pk0 s THR 656 CO 0.21 0.01 0.00 0.00 -0.54 0.00 0.00 174.62 174.29 1pk0 n ILE 657 N 3.41 0.00 -1.52 2.99 0.13 -1.26 -4.85 119.36 118.25 1pk0 n ILE 657 Ca -0.17 0.00 -0.24 0.00 -1.10 0.00 0.00 62.75 61.24 1pk0 n ILE 657 Cb 0.56 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 39.20 1pk0 n ILE 657 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 1pk0 n PRO 658 N 0.00 0.21 0.00 9.51 -0.02 -1.26 -4.86 135.00 138.58 1pk0 n PRO 658 Ca 0.00 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1pk0 n PRO 658 Cb 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1pk0 n PRO 658 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1pk0 n THR 659 N 6.83 0.00 -2.40 3.45 -1.04 -1.26 -3.61 114.28 116.25 1pk0 n THR 659 Ca 0.60 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.46 1pk0 n THR 659 Cb 0.22 -1.30 -0.01 0.00 -1.82 0.00 0.00 70.33 67.42 1pk0 n THR 659 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1pk0 n SER 660 N -0.98 -4.69 0.00 8.00 3.41 -1.26 -4.24 113.62 113.86 1pk0 n SER 660 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1pk0 n SER 660 Cb 0.00 -3.95 0.00 0.00 -0.26 0.00 0.00 64.21 60.00 1pk0 n SER 660 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pk0 n ALA 661 N -2.06 0.26 0.46 7.33 0.00 -1.24 -4.41 120.51 120.85 1pk0 n ALA 661 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.37 1pk0 n ALA 661 Cb 0.64 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.55 1pk0 n ALA 661 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pk0 n GLU 662 N -0.19 0.19 0.00 0.00 1.02 -1.26 -5.19 120.64 115.20 1pk0 n GLU 662 Ca 0.00 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1pk0 n GLU 662 Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1pk0 n GLU 662 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1pk0 n PHE 663 N -2.17 0.00 0.00 -0.32 -1.74 -1.26 -5.16 117.46 106.81 1pk0 n PHE 663 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.92 1pk0 n PHE 663 Cb 0.26 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.26 1pk0 n PHE 663 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1pk0 n SER 693 N -0.20 0.00 -2.82 5.98 3.41 -1.26 -4.77 113.62 113.96 1pk0 n SER 693 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1pk0 n SER 693 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pk0 n SER 693 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1pk0 n VAL 694 N 0.00-10.28 -2.04 -3.33 0.31 -1.26 -4.85 118.33 96.88 1pk0 n VAL 694 Ca 0.00 1.53 -0.42 0.00 -0.01 0.00 0.00 64.34 65.43 1pk0 n VAL 694 Cb 0.00 -6.30 -0.03 0.00 -0.91 0.00 0.00 33.84 26.60 1pk0 n VAL 694 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1pk0 s LYS 695 N -1.65 4.14 0.00 5.55 2.20 -1.26 -4.69 119.74 124.03 1pk0 s LYS 695 Ca 0.03 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 1pk0 s LYS 695 Cb -0.01 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1pk0 s LYS 695 CO 0.67 -0.89 0.00 1.17 -0.36 0.00 0.00 175.35 175.94 1pk0 n LYS 696 N 7.16 0.00 -0.05 4.03 4.81 -1.26 -4.90 118.16 127.95 1pk0 n LYS 696 Ca 0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.51 1pk0 n LYS 696 Cb 0.43 -0.29 -0.15 0.00 0.02 0.00 0.00 35.03 35.05 1pk0 n LYS 696 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1pk0 n ILE 697 N -0.65 1.55 -1.49 3.15 2.08 -1.26 -4.96 119.36 117.78 1pk0 n ILE 697 Ca 0.00 -0.79 -0.08 0.00 0.56 0.00 0.00 62.75 62.44 1pk0 n ILE 697 Cb 0.00 -0.93 0.05 0.00 -0.75 0.00 0.00 39.64 38.02 1pk0 n ILE 697 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pk0 n ALA 698 N -2.70 -0.33 0.00 -1.39 0.00 -1.26 -5.05 120.51 109.79 1pk0 n ALA 698 Ca -0.25 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1pk0 n ALA 698 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.53 1pk0 n ALA 698 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pk0 n GLY 699 N 2.63 2.46 3.47 0.00 0.00 -1.26 -4.89 105.19 107.59 1pk0 n GLY 699 Ca 0.05 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1pk0 n GLY 699 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pk0 s TYR 700 N -2.37 3.05 -0.00 1.61 1.51 -1.26 -4.66 117.35 115.23 1pk0 s TYR 700 Ca 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 57.07 54.71 1pk0 s TYR 700 Cb 0.00 -4.35 -0.00 0.00 -0.11 0.00 0.00 41.96 37.49 1pk0 s TYR 700 CO 0.00 -1.56 0.00 1.28 -1.11 0.00 0.00 175.55 174.16 1pk0 n LEU 701 N 6.88 0.08 -1.84 -1.29 4.32 -1.26 -4.82 117.00 119.07 1pk0 n LEU 701 Ca 0.26 -0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 56.18 1pk0 n LEU 701 Cb 0.49 0.00 0.24 0.00 -1.62 0.00 0.00 43.42 42.54 1pk0 n LEU 701 CO 0.54 0.02 0.96 -1.20 -1.22 0.00 0.00 177.39 176.48 1pk0 n SER 702 N -2.02 4.29 -2.31 -1.43 7.64 -1.26 -4.58 113.62 113.95 1pk0 n SER 702 Ca -0.00 -3.05 -0.26 0.00 1.01 0.00 0.00 58.87 56.57 1pk0 n SER 702 Cb 0.50 -0.72 0.01 0.00 -1.01 0.00 0.00 64.21 62.99 1pk0 n SER 702 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1pk0 n ASP 703 N -0.17 4.75 -0.32 6.43 5.75 -1.26 -4.54 116.55 127.19 1pk0 n ASP 703 Ca 0.36 -3.72 0.01 0.00 -0.01 0.00 0.00 54.79 51.44 1pk0 n ASP 703 Cb 1.26 -0.42 0.08 0.00 -1.03 0.00 0.00 41.12 41.01 1pk0 n ASP 703 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1pk0 h TYR 704 N 2.44 -0.71 0.00 2.11 3.20 -1.89 -2.78 116.97 119.34 1pk0 h TYR 704 Ca 0.32 0.09 -0.68 0.00 3.14 0.00 0.00 58.73 61.60 1pk0 h TYR 704 Cb 1.15 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 39.86 1pk0 h TYR 704 CO 0.83 -0.39 2.94 0.66 -1.64 0.00 0.00 178.16 180.56 1pk0 n TYR 705 N -5.52 2.88 -2.22 -3.82 4.02 -1.26 -4.92 117.16 106.32 1pk0 n TYR 705 Ca 0.11 -2.62 -0.42 0.00 -0.01 0.00 0.00 57.90 54.96 1pk0 n TYR 705 Cb 0.42 -2.28 -0.02 0.00 -0.02 0.00 0.00 39.34 37.44 1pk0 n TYR 705 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1pk0 s ASN 706 N 3.63 6.06 0.19 7.72 3.84 -1.05 -4.88 114.94 130.45 1pk0 s ASN 706 Ca 0.51 0.84 -0.21 0.00 0.21 0.00 0.00 52.86 54.21 1pk0 s ASN 706 Cb 0.14 -2.54 0.13 0.00 -0.55 0.00 0.00 41.25 38.43 1pk0 s ASN 706 CO -0.03 -1.65 1.58 -1.28 -2.79 0.00 0.00 177.10 172.93 1pk0 h SER 707 N 11.84 -1.27 -0.51 -4.21 0.87 -1.91 -3.17 113.55 115.19 1pk0 h SER 707 Ca -0.29 0.24 -0.11 0.00 -1.23 0.00 0.00 61.79 60.40 1pk0 h SER 707 Cb 1.13 0.63 -0.02 0.00 -0.44 0.00 0.00 62.40 63.70 1pk0 h SER 707 CO 1.10 -0.31 0.29 0.00 -0.53 0.00 0.00 176.83 177.38 1pk0 s ALA 708 N -5.96 1.03 0.00 6.23 0.00 -1.26 -3.85 121.76 117.95 1pk0 s ALA 708 Ca -0.14 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1pk0 s ALA 708 Cb 0.16 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.72 1pk0 s ALA 708 CO 0.69 -5.53 0.00 -1.71 0.00 0.00 0.00 175.76 169.21 1pk0 n ASN 709 N 17.09 0.00 0.01 0.00 2.85 -1.20 -4.85 115.26 129.15 1pk0 n ASN 709 Ca 0.44 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.97 1pk0 n ASN 709 Cb 0.45 0.00 0.26 0.00 1.24 0.00 0.00 39.78 41.72 1pk0 n ASN 709 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pk0 n HIS 710 N 0.00 0.04 0.08 1.20 1.44 -1.25 -1.73 115.22 115.01 1pk0 n HIS 710 Ca 0.00 0.02 -0.13 0.00 -2.01 0.00 0.00 57.72 55.60 1pk0 n HIS 710 Cb 0.00 -0.53 -0.06 0.00 0.12 0.00 0.00 29.99 29.52 1pk0 n HIS 710 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 1pk0 h ILE 711 N 0.00 1.47 -4.03 0.61 3.07 -1.91 -3.45 117.51 113.27 1pk0 h ILE 711 Ca 0.00 -2.71 -0.45 0.00 1.55 0.00 0.00 64.86 63.25 1pk0 h ILE 711 Cb 0.20 2.60 0.15 0.00 -0.27 0.00 0.00 36.82 39.51 1pk0 h ILE 711 CO 0.00 0.80 0.28 -0.36 -1.05 0.00 0.00 178.15 177.82 1pk0 s PHE 712 N -3.05 1.91 0.12 0.16 0.08 -0.70 -5.06 117.98 111.44 1pk0 s PHE 712 Ca -0.04 0.69 0.03 0.00 0.12 0.00 0.00 56.93 57.73 1pk0 s PHE 712 Cb 0.09 -3.52 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 1pk0 s PHE 712 CO 0.86 -2.77 0.18 -1.54 -0.10 0.00 0.00 175.22 171.86 1pk0 s SER 713 N -4.11 5.94 0.44 1.36 1.04 -1.26 -4.92 113.70 112.18 1pk0 s SER 713 Ca 0.67 0.07 0.32 0.00 0.48 0.00 0.00 55.95 57.48 1pk0 s SER 713 Cb -0.12 -1.70 1.49 0.00 0.10 0.00 0.00 66.02 65.79 1pk0 s SER 713 CO 0.54 0.10 1.58 0.06 0.98 0.00 0.00 173.24 176.51 1pk0 h GLN 714 N 2.63 0.01 0.09 4.02 -0.00 -1.97 0.36 115.11 120.27 1pk0 h GLN 714 Ca -0.47 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1pk0 h GLN 714 Cb 1.18 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.66 1pk0 h GLN 714 CO 0.68 0.01 -0.04 0.93 -0.00 0.00 0.00 178.83 180.40 1pk0 h GLU 715 N 0.01 -0.12 -0.22 0.06 5.08 -2.00 -2.68 114.58 114.71 1pk0 h GLU 715 Ca 0.88 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 59.30 1pk0 h GLU 715 Cb 2.79 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 32.00 1pk0 h GLU 715 CO -0.48 0.33 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.30 1pk0 h LYS 716 N -0.63 -0.35 -0.08 2.33 3.64 -0.70 0.24 116.57 121.02 1pk0 h LYS 716 Ca -0.01 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1pk0 h LYS 716 Cb 0.51 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1pk0 h LYS 716 CO 0.02 -0.23 -0.35 0.87 -2.27 0.00 0.00 179.45 177.49 1pk0 h LYS 717 N -0.37 -0.36 -0.88 1.90 1.57 -1.35 2.28 116.57 119.36 1pk0 h LYS 717 Ca 0.12 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.09 1pk0 h LYS 717 Cb 0.56 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.88 1pk0 h LYS 717 CO -0.42 -0.24 0.57 0.07 -0.57 0.00 0.00 179.45 178.86 1pk0 h ARG 718 N -0.38 0.54 0.25 3.15 0.11 -1.23 1.82 114.38 118.63 1pk0 h ARG 718 Ca 0.02 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 1pk0 h ARG 718 Cb 0.44 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.40 1pk0 h ARG 718 CO -0.27 0.35 -0.12 0.87 0.10 0.00 0.00 179.97 180.90 1pk0 h LYS 719 N 0.55 -0.32 -0.70 0.08 1.57 0.63 -3.00 116.57 115.39 1pk0 h LYS 719 Ca 0.45 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1pk0 h LYS 719 Cb 0.91 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 1pk0 h LYS 719 CO -0.19 0.04 0.43 -0.84 -0.57 0.00 0.00 179.45 178.31 1pk0 h ILE 720 N -0.88 1.20 -0.29 1.86 3.07 0.48 -3.12 117.51 119.82 1pk0 h ILE 720 Ca -0.03 -0.42 0.04 0.00 1.55 0.00 0.00 64.86 65.99 1pk0 h ILE 720 Cb 0.51 0.22 -0.06 0.00 -0.27 0.00 0.00 36.82 37.21 1pk0 h ILE 720 CO 0.06 0.20 -0.46 0.28 -1.05 0.00 0.00 178.15 177.17 1pk0 h SER 721 N 0.95 -1.52 -0.90 2.16 0.02 0.27 0.93 113.55 115.45 1pk0 h SER 721 Ca 0.25 0.20 0.25 0.00 -0.84 0.00 0.00 61.79 61.64 1pk0 h SER 721 Cb -0.05 0.62 -0.15 0.00 0.14 0.00 0.00 62.40 62.96 1pk0 h SER 721 CO -0.05 -0.35 0.19 0.40 -1.14 0.00 0.00 176.83 175.88 1pk0 h ILE 722 N -0.37 0.24 -0.04 3.27 2.04 -1.47 0.33 117.51 121.52 1pk0 h ILE 722 Ca 0.05 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1pk0 h ILE 722 Cb 0.51 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1pk0 h ILE 722 CO -0.46 0.03 -0.07 0.15 0.00 0.00 0.00 178.15 177.79 1pk0 h PHE 723 N 0.15 -0.18 -0.90 1.37 3.57 -0.87 0.12 116.94 120.20 1pk0 h PHE 723 Ca 0.57 0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.09 1pk0 h PHE 723 Cb 1.17 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.94 1pk0 h PHE 723 CO -0.31 -0.11 0.59 0.00 -2.23 0.00 0.00 178.31 176.25 1pk0 h ARG 724 N -0.11 1.16 0.46 1.11 2.47 0.12 0.89 114.38 120.48 1pk0 h ARG 724 Ca 0.04 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1pk0 h ARG 724 Cb 0.17 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1pk0 h ARG 724 CO -0.11 0.77 -0.22 0.78 0.56 0.00 0.00 179.97 181.75 1pk0 h GLY 725 N 1.19 -0.64 1.54 0.04 0.00 -0.41 -1.53 103.07 103.26 1pk0 h GLY 725 Ca 0.34 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.96 1pk0 h GLY 725 CO -0.09 -0.23 0.20 -2.22 0.00 0.00 0.00 176.54 174.20 1pk0 h ILE 726 N -0.70 0.94 -0.81 2.60 2.04 -0.28 0.89 117.51 122.19 1pk0 h ILE 726 Ca -0.06 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.84 1pk0 h ILE 726 Cb 0.51 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 1pk0 h ILE 726 CO 0.10 0.03 0.46 -0.61 0.00 0.00 0.00 178.15 178.13 1pk0 h GLN 727 N 0.17 0.74 0.00 2.37 -0.00 0.16 0.52 115.11 119.07 1pk0 h GLN 727 Ca 0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1pk0 h GLN 727 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.61 1pk0 h GLN 727 CO -0.02 0.49 -0.26 0.00 0.00 0.00 0.00 178.83 179.04 1pk0 h ALA 728 N 1.46 0.86 0.51 3.38 0.00 0.12 -3.02 119.26 122.57 1pk0 h ALA 728 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1pk0 h ALA 728 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pk0 h ALA 728 CO -0.26 0.00 -0.47 -0.92 0.00 0.00 0.00 179.25 177.60 1pk0 h TYR 729 N 0.00 -1.29 -2.43 0.00 5.03 0.56 -3.12 116.97 115.73 1pk0 h TYR 729 Ca 0.00 0.01 -0.70 0.00 2.58 0.00 0.00 58.73 60.62 1pk0 h TYR 729 Cb 0.95 0.50 -0.35 0.00 1.55 0.00 0.00 36.73 39.37 1pk0 h TYR 729 CO 0.00 -0.64 0.10 -1.71 -1.32 0.00 0.00 178.16 174.59 1pk0 n ASN 730 N -5.55 5.38 0.00 -2.11 4.05 -0.66 -4.52 115.26 111.85 1pk0 n ASN 730 Ca -0.12 -3.54 0.00 0.00 0.45 0.00 0.00 54.58 51.37 1pk0 n ASN 730 Cb 0.45 -0.91 0.00 0.00 1.23 0.00 0.00 39.78 40.54 1pk0 n ASN 730 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1pk0 n GLU 731 N 0.57 0.00 0.00 1.20 0.28 -1.14 -4.72 120.64 116.82 1pk0 n GLU 731 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1pk0 n GLU 731 Cb 0.35 -0.19 0.00 0.00 1.43 0.00 0.00 31.44 33.03 1pk0 n GLU 731 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1pk0 n ILE 732 N -0.99 0.36 -0.14 3.84 -5.35 -1.26 -4.77 119.36 111.05 1pk0 n ILE 732 Ca 0.00 -0.43 -0.10 0.00 -0.27 0.00 0.00 62.75 61.95 1pk0 n ILE 732 Cb 0.00 0.95 -0.01 0.00 -1.74 0.00 0.00 39.64 38.84 1pk0 n ILE 732 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1pk0 h GLU 733 N 0.00 0.67 0.00 6.28 4.81 -1.84 -2.87 114.58 121.63 1pk0 h GLU 733 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1pk0 h GLU 733 Cb 0.63 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1pk0 h GLU 733 CO 0.00 0.74 0.00 -1.71 -0.73 0.00 0.00 179.01 177.31 1pk0 n ASN 734 N -4.50 0.00 -1.27 1.04 2.85 -1.26 -3.27 115.26 108.86 1pk0 n ASN 734 Ca -0.01 -0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1pk0 n ASN 734 Cb 0.25 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.27 1pk0 n ASN 734 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1pk0 n VAL 735 N -0.51 1.34 0.29 3.44 3.14 -1.09 -4.33 118.33 120.61 1pk0 n VAL 735 Ca 0.00 -0.22 0.03 0.00 -2.96 0.00 0.00 64.34 61.20 1pk0 n VAL 735 Cb 0.00 -1.19 0.16 0.00 -1.06 0.00 0.00 33.84 31.75 1pk0 n VAL 735 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1pk0 n LEU 736 N 1.03 0.00 -2.66 6.55 4.77 -1.20 -2.13 117.00 123.36 1pk0 n LEU 736 Ca 0.00 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.32 1pk0 n LEU 736 Cb 0.45 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1pk0 n LEU 736 CO 0.00 -0.28 0.02 0.29 -1.33 0.00 0.00 177.39 176.09 1pk0 n LYS 737 N -1.37 1.93 0.00 3.23 4.76 -1.26 -4.83 118.16 120.61 1pk0 n LYS 737 Ca 0.03 -3.54 0.00 0.00 -2.87 0.00 0.00 58.31 51.92 1pk0 n LYS 737 Cb 0.06 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 1pk0 n LYS 737 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1pk0 n SER 738 N -0.58 -1.06 -0.01 4.39 2.88 -0.91 -4.89 113.62 113.45 1pk0 n SER 738 Ca 0.12 -0.32 -0.04 0.00 -1.33 0.00 0.00 58.87 57.30 1pk0 n SER 738 Cb 0.84 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.27 1pk0 n SER 738 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1pk0 h LYS 739 N 0.00 -0.13 -1.76 -1.46 3.11 -1.95 -3.41 116.57 110.97 1pk0 h LYS 739 Ca 0.00 0.01 -0.33 0.00 -2.81 0.00 0.00 60.65 57.52 1pk0 h LYS 739 Cb 0.00 0.03 -0.28 0.00 -1.00 0.00 0.00 32.23 30.98 1pk0 h LYS 739 CO 0.00 -0.09 -0.67 -1.14 -2.81 0.00 0.00 179.45 174.74 1pk0 s GLN 740 N -3.66 0.77 -0.08 1.90 2.00 -1.26 -5.14 119.66 114.18 1pk0 s GLN 740 Ca -0.04 -1.01 -0.25 0.00 -2.00 0.00 0.00 55.36 52.06 1pk0 s GLN 740 Cb 0.02 -0.63 -0.03 0.00 0.80 0.00 0.00 33.01 33.17 1pk0 s GLN 740 CO 0.15 -1.24 0.79 0.42 -0.50 0.00 0.00 175.29 174.91 1pk0 s ILE 741 N 1.19 4.96 0.38 -2.34 1.01 -1.26 -5.04 121.20 120.10 1pk0 s ILE 741 Ca 0.21 1.62 -0.26 0.00 0.00 0.00 0.00 60.65 62.22 1pk0 s ILE 741 Cb -0.09 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 1pk0 s ILE 741 CO -0.06 0.17 1.15 0.00 0.00 0.00 0.00 174.94 176.20 1pk0 s ALA 742 N 1.25 3.21 -0.86 9.38 0.00 -1.26 -4.87 121.76 128.60 1pk0 s ALA 742 Ca 0.41 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1pk0 s ALA 742 Cb -0.18 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1pk0 s ALA 742 CO 0.18 -0.43 0.76 -2.30 0.00 0.00 0.00 175.76 173.97 1pk0 n PRO 743 N 0.29 0.00 -0.03 0.00 -0.02 -1.26 -1.29 135.00 132.69 1pk0 n PRO 743 Ca 0.03 0.29 -0.15 0.00 -2.02 0.00 0.00 63.50 61.65 1pk0 n PRO 743 Cb 0.46 -1.61 -0.11 0.00 -0.02 0.00 0.00 33.50 32.22 1pk0 n PRO 743 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pk0 h GLU 744 N 0.00 0.17 0.25 -0.52 4.39 -1.99 -2.77 114.58 114.10 1pk0 h GLU 744 Ca 0.00 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1pk0 h GLU 744 Cb 0.22 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1pk0 h GLU 744 CO 0.00 0.91 -0.12 1.88 -1.16 0.00 0.00 179.01 180.52 1pk0 h TYR 745 N -0.50 -0.31 -0.64 4.33 -1.99 -1.57 -2.91 116.97 113.39 1pk0 h TYR 745 Ca -0.03 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.78 1pk0 h TYR 745 Cb 0.99 0.10 -0.11 0.00 2.00 0.00 0.00 36.73 39.72 1pk0 h TYR 745 CO 0.18 0.06 -0.50 -0.22 -0.00 0.00 0.00 178.16 177.68 1pk0 h LYS 746 N -0.79 -0.21 -0.95 4.88 1.63 -1.69 0.39 116.57 119.82 1pk0 h LYS 746 Ca -0.03 0.01 0.19 0.00 -0.85 0.00 0.00 60.65 59.97 1pk0 h LYS 746 Cb 0.51 0.05 -0.18 0.00 -0.60 0.00 0.00 32.23 32.01 1pk0 h LYS 746 CO 0.06 -0.14 -0.25 -0.97 -3.45 0.00 0.00 179.45 174.70 1pk0 h ASN 747 N -0.22 -0.92 0.23 4.20 -0.00 -1.54 1.10 115.58 118.44 1pk0 h ASN 747 Ca 0.16 0.29 -0.01 0.00 -0.00 0.00 0.00 56.30 56.73 1pk0 h ASN 747 Cb 0.55 0.60 0.00 0.00 -0.00 0.00 0.00 38.32 39.47 1pk0 h ASN 747 CO -0.73 -0.31 -0.11 0.22 -0.00 0.00 0.00 177.43 176.49 1pk0 h TYR 748 N -0.00 -0.30 -0.78 0.67 3.20 -0.08 0.29 116.97 119.97 1pk0 h TYR 748 Ca 0.45 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.49 1pk0 h TYR 748 Cb 0.69 0.10 -0.12 0.00 1.54 0.00 0.00 36.73 38.94 1pk0 h TYR 748 CO -0.74 -0.18 0.20 0.74 -1.64 0.00 0.00 178.16 176.53 1pk0 h PHE 749 N -0.32 0.31 0.02 -3.82 -1.00 -0.37 1.04 116.94 112.82 1pk0 h PHE 749 Ca -0.03 0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.80 1pk0 h PHE 749 Cb 0.24 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 1pk0 h PHE 749 CO 0.17 -0.10 -0.21 1.96 -1.61 0.00 0.00 178.31 178.52 1pk0 h GLN 750 N 0.27 -0.27 -0.75 1.51 1.08 0.14 0.81 115.11 117.91 1pk0 h GLN 750 Ca 0.45 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.80 1pk0 h GLN 750 Cb 0.80 0.06 -0.14 0.00 -0.05 0.00 0.00 27.48 28.15 1pk0 h GLN 750 CO -0.54 -0.18 -0.29 -0.92 -0.95 0.00 0.00 178.83 175.95 1pk0 h TYR 751 N -0.28 -0.75 -0.76 2.96 3.20 0.19 0.92 116.97 122.46 1pk0 h TYR 751 Ca 0.00 0.08 0.15 0.00 3.14 0.00 0.00 58.73 62.10 1pk0 h TYR 751 Cb 0.29 0.44 -0.10 0.00 1.54 0.00 0.00 36.73 38.90 1pk0 h TYR 751 CO -0.39 -0.37 0.28 1.25 -1.64 0.00 0.00 178.16 177.29 1pk0 h LEU 752 N -0.07 0.23 -0.80 2.82 6.46 0.20 0.54 115.31 124.70 1pk0 h LEU 752 Ca 0.31 0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 58.13 1pk0 h LEU 752 Cb 0.57 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 1pk0 h LEU 752 CO -0.79 0.07 0.17 0.50 -0.62 0.00 0.00 178.44 177.77 1pk0 h LYS 753 N 0.41 1.07 0.00 1.25 3.64 0.76 0.67 116.57 124.36 1pk0 h LYS 753 Ca 0.42 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1pk0 h LYS 753 Cb 0.66 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1pk0 h LYS 753 CO -0.43 0.94 -0.05 0.93 -2.27 0.00 0.00 179.45 178.57 1pk0 h GLU 754 N 1.02 0.00 0.00 1.90 5.08 0.41 -2.00 114.58 120.98 1pk0 h GLU 754 Ca 0.22 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1pk0 h GLU 754 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1pk0 h GLU 754 CO -0.00 0.05 -0.24 0.00 -1.00 0.00 0.00 179.01 177.82 1pk0 h ARG 755 N 0.00 0.00 -0.29 2.33 3.08 0.12 -3.30 114.38 116.32 1pk0 h ARG 755 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1pk0 h ARG 755 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1pk0 h ARG 755 CO 0.01 0.45 0.43 0.82 -1.07 0.00 0.00 179.97 180.60 1pk0 h ILE 756 N -1.00 0.25 0.10 2.04 2.04 -0.73 0.53 117.51 120.75 1pk0 h ILE 756 Ca -0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1pk0 h ILE 756 Cb 0.57 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1pk0 h ILE 756 CO -0.03 0.00 -0.05 0.74 0.00 0.00 0.00 178.15 178.81 1pk0 h THR 757 N 0.00 1.12 -0.07 -0.27 2.02 -1.48 -3.28 112.91 110.95 1pk0 h THR 757 Ca 0.14 -1.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.10 1pk0 h THR 757 Cb 0.99 1.74 0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1pk0 h THR 757 CO -0.00 0.24 -0.87 0.78 0.37 0.00 0.00 175.52 176.04 1pk0 h ASN 758 N -0.61 0.75 0.00 4.18 2.35 -1.19 -3.06 115.58 117.99 1pk0 h ASN 758 Ca -0.01 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 1pk0 h ASN 758 Cb 0.49 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1pk0 h ASN 758 CO 0.02 1.32 0.00 1.67 -1.65 0.00 0.00 177.43 178.80 1pk0 n GLN 759 N -3.85 0.47 0.17 0.81 7.27 0.17 -2.80 117.38 119.62 1pk0 n GLN 759 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 1pk0 n GLN 759 Cb 0.79 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 32.18 1pk0 n GLN 759 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1pk0 n VAL 760 N 1.73 0.00 -0.40 1.69 0.31 -1.22 -4.83 118.33 115.61 1pk0 n VAL 760 Ca 0.00 0.00 0.33 0.00 -0.01 0.00 0.00 64.34 64.66 1pk0 n VAL 760 Cb 0.24 -0.13 0.63 0.00 -0.91 0.00 0.00 33.84 33.66 1pk0 n VAL 760 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1pk0 h GLN 761 N 0.00 0.17 0.53 5.55 5.75 -1.45 0.30 115.11 125.95 1pk0 h GLN 761 Ca 0.00 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1pk0 h GLN 761 Cb 0.00 -0.04 0.01 0.00 1.07 0.00 0.00 27.48 28.52 1pk0 h GLN 761 CO 0.00 0.11 -0.25 1.25 -2.65 0.00 0.00 178.83 177.29 1pk0 h LEU 762 N 0.17 -0.60 -1.71 -2.39 5.85 -1.87 0.36 115.31 115.12 1pk0 h LEU 762 Ca 0.72 -0.04 0.22 0.00 0.84 0.00 0.00 57.88 59.61 1pk0 h LEU 762 Cb 2.26 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 43.39 1pk0 h LEU 762 CO -0.30 -0.32 0.59 -0.07 -0.34 0.00 0.00 178.44 178.00 1pk0 h LEU 763 N -0.87 0.24 0.08 2.25 3.38 -0.78 -0.81 115.31 118.80 1pk0 h LEU 763 Ca -0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pk0 h LEU 763 Cb 0.60 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1pk0 h LEU 763 CO 0.12 0.10 -0.04 -0.07 0.09 0.00 0.00 178.44 178.63 1pk0 h LEU 764 N 0.24 -0.10 -1.77 1.67 3.38 -0.67 -3.32 115.31 114.75 1pk0 h LEU 764 Ca 0.43 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.64 1pk0 h LEU 764 Cb 1.32 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1pk0 h LEU 764 CO -0.11 -0.00 0.75 0.71 0.09 0.00 0.00 178.44 179.89 1pk0 h THR 765 N -0.25 0.29 -0.81 0.22 1.35 0.11 1.01 112.91 114.84 1pk0 h THR 765 Ca -0.01 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.05 1pk0 h THR 765 Cb 0.09 0.42 -0.05 0.00 -1.73 0.00 0.00 68.15 66.88 1pk0 h THR 765 CO 0.02 0.00 0.55 -0.74 -0.25 0.00 0.00 175.52 175.10 1pk0 h HIS 766 N 0.00 0.27 -0.55 4.73 6.17 -1.25 -3.36 115.15 121.16 1pk0 h HIS 766 Ca 0.38 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.48 1pk0 h HIS 766 Cb 1.88 -0.08 -0.17 0.00 2.52 0.00 0.00 27.41 31.56 1pk0 h HIS 766 CO 0.00 0.08 -0.27 -1.14 0.71 0.00 0.00 177.93 177.31 1pk0 s GLN 767 N -5.22 0.50 0.49 5.26 2.00 0.34 -5.14 119.66 117.89 1pk0 s GLN 767 Ca -0.07 -0.29 -0.23 0.00 -2.00 0.00 0.00 55.36 52.78 1pk0 s GLN 767 Cb 0.21 0.03 -0.06 0.00 0.80 0.00 0.00 33.01 33.99 1pk0 s GLN 767 CO 0.77 -0.68 1.27 0.21 -0.50 0.00 0.00 175.29 176.36 1pk0 s LYS 768 N 1.60 3.49 -0.17 1.67 2.47 -0.42 -4.78 119.74 123.60 1pk0 s LYS 768 Ca 0.19 2.03 0.11 0.00 -1.56 0.00 0.00 55.97 56.74 1pk0 s LYS 768 Cb 0.02 -2.38 -0.23 0.00 -1.46 0.00 0.00 37.83 33.79 1pk0 s LYS 768 CO -0.10 -0.85 0.18 0.34 0.16 0.00 0.00 175.35 175.08 1pk0 n PHE 773 N -0.67 0.36 -0.13 4.03 7.35 -1.16 -5.07 117.46 122.17 1pk0 n PHE 773 Ca 0.08 0.11 -0.03 0.00 -0.76 0.00 0.00 57.45 56.85 1pk0 n PHE 773 Cb 0.46 -1.06 -0.01 0.00 0.35 0.00 0.00 39.48 39.22 1pk0 n PHE 773 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1pk0 n LYS 774 N -2.99 0.33 0.00 -4.13 3.00 -1.26 -3.85 118.16 109.26 1pk0 n LYS 774 Ca -0.32 -0.49 0.00 0.00 -0.00 0.00 0.00 58.31 57.50 1pk0 n LYS 774 Cb 1.09 -1.91 0.00 0.00 0.00 0.00 0.00 35.03 34.21 1pk0 n LYS 774 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1pk0 n LEU 775 N 4.24 0.00 -3.53 3.14 7.99 -1.26 -5.02 117.00 122.56 1pk0 n LEU 775 Ca 0.07 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.81 1pk0 n LEU 775 Cb 0.05 -0.17 -0.15 0.00 -0.11 0.00 0.00 43.42 43.04 1pk0 n LEU 775 CO 0.44 -0.26 -0.30 -0.76 -1.51 0.00 0.00 177.39 175.00 1pk0 s LEU 776 N -3.87 0.33 0.00 2.23 1.43 -1.25 -4.91 118.68 112.64 1pk0 s LEU 776 Ca 0.00 -0.95 0.08 0.00 -1.03 0.00 0.00 54.13 52.23 1pk0 s LEU 776 Cb 0.00 -0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.09 1pk0 s LEU 776 CO 0.00 -0.40 0.61 0.00 0.23 0.00 0.00 176.35 176.79 1pk0 n TYR 777 N 5.27 0.00 0.28 0.29 9.36 -1.26 -4.29 117.16 126.81 1pk0 n TYR 777 Ca -0.06 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.28 1pk0 n TYR 777 Cb 0.45 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 39.29 1pk0 n TYR 777 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1pk0 h LYS 778 N 1.09 0.00 -0.98 2.98 1.57 -2.00 -3.17 116.57 116.06 1pk0 h LYS 778 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1pk0 h LYS 778 Cb 0.29 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.41 1pk0 h LYS 778 CO 0.00 0.00 0.39 1.04 -0.57 0.00 0.00 179.45 180.31 1pk0 n GLN 779 N -2.66 1.97 -3.71 3.15 6.02 -1.26 -4.80 117.38 116.09 1pk0 n GLN 779 Ca 0.02 -1.97 -0.13 0.00 -0.01 0.00 0.00 57.00 54.91 1pk0 n GLN 779 Cb 0.51 -1.79 -0.14 0.00 1.02 0.00 0.00 30.24 29.84 1pk0 n GLN 779 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pk0 s LEU 780 N -2.12 0.25 -0.32 1.08 1.43 -1.20 -4.88 118.68 112.92 1pk0 s LEU 780 Ca 0.37 0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.93 1pk0 s LEU 780 Cb 0.31 0.61 0.12 0.00 0.03 0.00 0.00 46.19 47.26 1pk0 s LEU 780 CO 0.07 -0.19 0.20 0.21 0.23 0.00 0.00 176.35 176.88 1pk0 s ASN 781 N 1.63 2.85 -1.01 2.29 3.84 -1.26 -4.98 114.94 118.30 1pk0 s ASN 781 Ca -0.05 -1.51 -0.16 0.00 0.21 0.00 0.00 52.86 51.35 1pk0 s ASN 781 Cb -0.11 -0.14 0.17 0.00 -0.55 0.00 0.00 41.25 40.61 1pk0 s ASN 781 CO -0.08 -0.38 1.17 -0.36 -2.79 0.00 0.00 177.10 174.66 1pk0 s PHE 782 N 1.77 3.42 -0.32 0.43 0.40 -1.26 -4.78 117.98 117.65 1pk0 s PHE 782 Ca 0.13 -1.81 0.12 0.00 -0.60 0.00 0.00 56.93 54.76 1pk0 s PHE 782 Cb -0.18 -4.19 0.46 0.00 0.51 0.00 0.00 43.02 39.63 1pk0 s PHE 782 CO -0.22 -1.34 1.13 0.25 0.70 0.00 0.00 175.22 175.73 1pk0 n THR 783 N 4.78 2.00 -3.65 0.64 -2.24 -1.26 -5.05 114.28 109.51 1pk0 n THR 783 Ca 0.26 -3.90 0.02 0.00 -2.27 0.00 0.00 64.05 58.16 1pk0 n THR 783 Cb 0.46 -0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1pk0 n THR 783 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1pk0 s GLU 784 N -3.58 0.37 0.12 -0.78 4.04 -1.26 -5.13 118.70 112.47 1pk0 s GLU 784 Ca 0.42 -0.21 -0.35 0.00 0.04 0.00 0.00 54.97 54.87 1pk0 s GLU 784 Cb 0.39 0.12 -0.16 0.00 0.02 0.00 0.00 34.13 34.50 1pk0 s GLU 784 CO -0.03 -0.17 1.30 0.27 -1.84 0.00 0.00 175.26 174.80 1pk0 n ASN 785 N -0.55 1.64 -0.42 0.83 0.23 -1.26 -4.77 115.26 110.97 1pk0 n ASN 785 Ca -0.08 1.12 0.39 0.00 -0.53 0.00 0.00 54.58 55.49 1pk0 n ASN 785 Cb 0.63 -1.21 0.65 0.00 -2.08 0.00 0.00 39.78 37.76 1pk0 n ASN 785 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1pk0 h GLU 786 N 4.27 0.00 -0.37 -3.83 5.08 -1.99 0.41 114.58 118.16 1pk0 h GLU 786 Ca -0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 1pk0 h GLU 786 Cb 1.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1pk0 h GLU 786 CO 0.76 0.00 0.02 0.00 -1.00 0.00 0.00 179.01 178.79 1pk0 h THR 787 N 0.00 1.20 -0.34 1.13 1.03 -2.00 -1.09 112.91 112.84 1pk0 h THR 787 Ca 0.67 -0.79 -0.17 0.00 -0.01 0.00 0.00 66.41 66.12 1pk0 h THR 787 Cb 3.15 0.91 -0.00 0.00 -1.07 0.00 0.00 68.15 71.13 1pk0 h THR 787 CO -0.01 0.27 -0.45 -0.78 -0.01 0.00 0.00 175.52 174.55 1pk0 h ASP 788 N 0.55 0.96 1.04 0.00 3.58 -0.48 -2.95 116.42 119.12 1pk0 h ASP 788 Ca 0.12 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1pk0 h ASP 788 Cb 0.33 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1pk0 h ASP 788 CO 0.01 1.26 -0.14 -3.20 -2.88 0.00 0.00 179.24 174.29 1pk0 n ASN 789 N -4.03 0.38 0.04 2.28 4.05 -1.14 -3.76 115.26 113.09 1pk0 n ASN 789 Ca -0.03 0.37 -0.11 0.00 0.45 0.00 0.00 54.58 55.26 1pk0 n ASN 789 Cb 0.58 -0.40 -0.05 0.00 1.23 0.00 0.00 39.78 41.14 1pk0 n ASN 789 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 1pk0 h PHE 790 N 0.00 -0.26 -0.38 1.20 -0.00 -1.01 -1.36 116.94 115.13 1pk0 h PHE 790 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 1pk0 h PHE 790 Cb 0.59 0.12 -0.02 0.00 -0.00 0.00 0.00 35.95 36.65 1pk0 h PHE 790 CO 0.00 -0.16 0.25 1.05 -0.00 0.00 0.00 178.31 179.45 1pk0 h GLU 791 N -0.17 0.49 -0.04 1.11 4.11 -1.68 -2.64 114.58 115.77 1pk0 h GLU 791 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1pk0 h GLU 791 Cb 0.23 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1pk0 h GLU 791 CO -0.12 0.33 -0.04 0.28 0.07 0.00 0.00 179.01 179.52 1pk0 h VAL 792 N 0.51 0.00 -0.84 -1.06 2.07 -1.53 -2.01 116.25 113.39 1pk0 h VAL 792 Ca 0.14 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.86 1pk0 h VAL 792 Cb -0.06 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.59 1pk0 h VAL 792 CO -0.03 0.00 0.28 0.15 0.02 0.00 0.00 177.57 177.99 1pk0 h PHE 793 N -0.03 0.44 -0.03 1.57 3.57 -1.23 0.44 116.94 121.68 1pk0 h PHE 793 Ca 0.01 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1pk0 h PHE 793 Cb 0.04 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1pk0 h PHE 793 CO -0.65 -0.11 0.03 0.37 -2.23 0.00 0.00 178.31 175.72 1pk0 h GLN 794 N 0.30 0.00 0.00 1.11 5.75 -1.01 0.52 115.11 121.78 1pk0 h GLN 794 Ca 0.51 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.01 1pk0 h GLN 794 Cb 0.96 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.51 1pk0 h GLN 794 CO -0.56 0.00 -0.25 0.87 -2.65 0.00 0.00 178.83 176.24 1pk0 h LYS 795 N 0.00 0.00 -0.01 1.69 1.79 0.54 -3.16 116.57 117.42 1pk0 h LYS 795 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1pk0 h LYS 795 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1pk0 h LYS 795 CO -0.00 0.00 -0.13 -0.89 -1.08 0.00 0.00 179.45 177.35 1pk0 n ILE 796 N -2.43 0.00 0.19 1.86 2.08 0.18 -4.02 119.36 117.21 1pk0 n ILE 796 Ca 0.04 -0.13 0.11 0.00 0.56 0.00 0.00 62.75 63.33 1pk0 n ILE 796 Cb 0.46 0.20 0.59 0.00 -0.75 0.00 0.00 39.64 40.14 1pk0 n ILE 796 CO 0.00 0.00 0.00 0.16 0.56 0.00 0.00 176.55 177.27 1pk0 h ILE 797 N 1.20 0.00 0.00 1.39 3.07 -1.41 -3.50 117.51 118.26 1pk0 h ILE 797 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1pk0 h ILE 797 Cb 0.42 0.48 0.00 0.00 -0.27 0.00 0.00 36.82 37.45 1pk0 h ILE 797 CO 0.00 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.57