#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kom s SER 450 N 0.00 6.84 -0.37 1.61 0.01 -1.26 -4.79 113.70 115.74 2kom s SER 450 Ca 0.00 -2.46 0.02 0.00 1.31 0.00 0.00 55.95 54.82 2kom s SER 450 Cb 0.00 -2.45 0.15 0.00 0.21 0.00 0.00 66.02 63.94 2kom s SER 450 CO 0.00 -0.99 0.29 -0.31 0.41 0.00 0.00 173.24 172.64 2kom s TYR 451 N 2.68 0.50 -0.13 2.43 2.02 -1.26 -5.11 117.35 118.49 2kom s TYR 451 Ca 0.42 -1.58 -0.08 0.00 -0.37 0.00 0.00 57.07 55.45 2kom s TYR 451 Cb -0.02 -0.76 0.04 0.00 -0.40 0.00 0.00 41.96 40.82 2kom s TYR 451 CO -0.03 -0.87 0.31 1.21 -1.57 0.00 0.00 175.55 174.60 2kom s ASN 452 N 0.90 -0.35 -0.49 2.29 2.47 -1.26 -5.10 114.94 113.41 2kom s ASN 452 Ca 0.22 0.65 -0.01 0.00 0.42 0.00 0.00 52.86 54.14 2kom s ASN 452 Cb -0.14 0.58 0.13 0.00 -1.45 0.00 0.00 41.25 40.37 2kom s ASN 452 CO -0.05 -0.15 0.27 -0.89 -3.72 0.00 0.00 177.10 172.57 2kom s THR 453 N 0.87 3.21 -0.63 -5.21 2.01 -1.26 -5.04 115.64 109.59 2kom s THR 453 Ca -0.06 -2.58 -0.28 0.00 0.31 0.00 0.00 61.69 59.09 2kom s THR 453 Cb -0.07 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.29 2kom s THR 453 CO -0.06 -0.76 1.26 -0.75 -0.69 0.00 0.00 174.62 173.62 2kom s LYS 454 N 0.50 3.37 0.02 4.92 2.36 -1.26 -4.95 119.74 124.70 2kom s LYS 454 Ca 0.13 0.12 0.02 0.00 -2.55 0.00 0.00 55.97 53.68 2kom s LYS 454 Cb -0.22 -4.09 -0.01 0.00 -1.05 0.00 0.00 37.83 32.46 2kom s LYS 454 CO -0.04 -1.89 -0.06 0.21 1.55 0.00 0.00 175.35 175.13 2kom s LYS 455 N 5.32 0.41 -0.41 4.03 2.20 -1.26 -5.11 119.74 124.93 2kom s LYS 455 Ca 0.42 -0.44 -0.22 0.00 -0.36 0.00 0.00 55.97 55.37 2kom s LYS 455 Cb -0.08 -0.27 0.02 0.00 -1.51 0.00 0.00 37.83 35.99 2kom s LYS 455 CO 0.22 0.06 0.75 0.42 -0.36 0.00 0.00 175.35 176.44 2kom s ILE 456 N -0.74 4.73 0.00 5.43 1.09 -1.26 -4.66 121.20 125.79 2kom s ILE 456 Ca -0.05 0.56 0.00 0.00 -1.10 0.00 0.00 60.65 60.06 2kom s ILE 456 Cb -0.06 -4.24 0.00 0.00 -1.06 0.00 0.00 42.46 37.10 2kom s ILE 456 CO -0.00 -0.56 0.00 0.61 -0.10 0.00 0.00 174.94 174.89 2kom n GLY 457 N 4.81 2.22 3.75 6.18 0.00 -1.26 -4.82 105.19 116.07 2kom n GLY 457 Ca 0.02 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2kom n GLY 457 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kom s LYS 458 N -0.60 4.22 -0.07 1.61 2.47 -0.14 -4.86 119.74 122.37 2kom s LYS 458 Ca 0.00 0.40 -0.05 0.00 -1.56 0.00 0.00 55.97 54.76 2kom s LYS 458 Cb 0.00 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 32.95 2kom s LYS 458 CO 0.00 0.31 0.15 1.03 0.16 0.00 0.00 175.35 177.00 2kom s ARG 459 N 0.14 3.40 -0.04 4.03 0.52 -1.26 0.04 118.95 125.78 2kom s ARG 459 Ca 0.24 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 55.24 2kom s ARG 459 Cb -0.15 -3.12 0.01 0.00 0.52 0.00 0.00 34.95 32.21 2kom s ARG 459 CO 0.10 0.73 -0.08 -0.51 0.02 0.00 0.00 175.30 175.57 2kom s LEU 460 N -1.37 1.59 -0.34 2.53 2.01 0.17 -4.94 118.68 118.34 2kom s LEU 460 Ca 0.20 -0.18 -0.16 0.00 0.01 0.00 0.00 54.13 53.99 2kom s LEU 460 Cb -0.12 -0.56 -0.01 0.00 0.01 0.00 0.00 46.19 45.51 2kom s LEU 460 CO 0.09 0.01 0.43 0.54 1.01 0.00 0.00 176.35 178.43 2kom s ASN 461 N 0.55 6.25 0.02 2.29 4.22 -1.26 -1.00 114.94 126.01 2kom s ASN 461 Ca -0.09 -0.09 0.07 0.00 -2.14 0.00 0.00 52.86 50.62 2kom s ASN 461 Cb -0.12 -2.23 -0.02 0.00 1.28 0.00 0.00 41.25 40.16 2kom s ASN 461 CO 0.01 -0.38 -0.22 -0.63 -2.04 0.00 0.00 177.10 173.84 2kom s ILE 462 N 2.17 1.76 -0.12 0.54 1.01 0.17 -4.94 121.20 121.79 2kom s ILE 462 Ca 0.15 -1.12 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2kom s ILE 462 Cb -0.16 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.82 2kom s ILE 462 CO 0.12 0.34 -0.22 -1.10 0.00 0.00 0.00 174.94 174.08 2kom s GLN 463 N -0.92 2.98 -0.11 2.79 -0.21 -1.26 0.10 119.66 123.04 2kom s GLN 463 Ca 0.09 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.63 2kom s GLN 463 Cb -0.09 -2.34 -0.02 0.00 1.00 0.00 0.00 33.01 31.56 2kom s GLN 463 CO 0.01 0.07 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.59 2kom s LEU 464 N 0.62 2.66 -0.13 2.90 2.01 0.33 -4.90 118.68 122.17 2kom s LEU 464 Ca -0.12 -0.32 -0.04 0.00 0.01 0.00 0.00 54.13 53.65 2kom s LEU 464 Cb -0.17 -1.58 -0.04 0.00 0.01 0.00 0.00 46.19 44.42 2kom s LEU 464 CO 0.03 0.21 0.04 -0.75 1.01 0.00 0.00 176.35 176.88 2kom s LYS 465 N 0.10 3.40 -0.59 1.70 2.20 -1.26 0.51 119.74 125.81 2kom s LYS 465 Ca -0.07 -0.36 -0.27 0.00 -0.36 0.00 0.00 55.97 54.92 2kom s LYS 465 Cb -0.15 -2.98 -0.00 0.00 -1.51 0.00 0.00 37.83 33.18 2kom s LYS 465 CO 0.05 0.55 1.65 0.21 -0.36 0.00 0.00 175.35 177.45 2kom s LYS 466 N -0.43 2.96 0.00 4.03 2.20 0.45 -4.54 119.74 124.42 2kom s LYS 466 Ca 0.09 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 2kom s LYS 466 Cb -0.12 -4.27 0.00 0.00 -1.51 0.00 0.00 37.83 31.93 2kom s LYS 466 CO 0.02 -2.34 0.00 0.41 -0.36 0.00 0.00 175.35 173.08 2kom n GLY 467 N 5.51 0.15 3.66 5.54 0.00 -1.26 -4.89 105.19 113.89 2kom n GLY 467 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2kom n GLY 467 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kom s THR 468 N 0.00 5.09 -1.40 2.61 2.01 -1.26 -4.06 115.64 118.64 2kom s THR 468 Ca 0.00 0.99 -0.10 0.00 0.31 0.00 0.00 61.69 62.90 2kom s THR 468 Cb 0.00 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.66 2kom s THR 468 CO 0.00 0.16 0.19 1.21 -0.69 0.00 0.00 174.62 175.49 2kom n GLU 469 N 4.85 -0.74 -1.65 4.92 4.07 -1.26 -2.20 120.64 128.63 2kom n GLU 469 Ca -0.04 0.07 -0.48 0.00 -0.06 0.00 0.00 57.16 56.64 2kom n GLU 469 Cb 0.50 -3.11 -0.05 0.00 -0.06 0.00 0.00 31.44 28.73 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kom n GLY 470 N -2.40 1.00 2.53 8.31 0.00 -1.26 -2.07 105.19 111.31 2kom n GLY 470 Ca -0.26 0.71 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 2kom n GLY 470 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kom n LEU 471 N 3.82 -5.73 -3.25 0.99 4.77 -1.26 -4.76 117.00 111.57 2kom n LEU 471 Ca 0.19 0.14 -0.37 0.00 -0.03 0.00 0.00 56.01 55.93 2kom n LEU 471 Cb 0.26 -2.66 -0.01 0.00 -2.33 0.00 0.00 43.42 38.68 2kom n LEU 471 CO 0.66 -1.17 2.01 0.61 -1.33 0.00 0.00 177.39 178.16 2kom n GLY 472 N -1.03 5.19 3.25 -0.72 0.00 -1.16 -4.81 105.19 105.91 2kom n GLY 472 Ca 0.04 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 2kom n GLY 472 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kom s PHE 473 N -1.98 -0.34 0.25 1.61 -0.71 -1.26 -0.00 117.98 115.54 2kom s PHE 473 Ca 0.53 0.77 0.05 0.00 -1.04 0.00 0.00 56.93 57.24 2kom s PHE 473 Cb 0.25 0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 42.13 2kom s PHE 473 CO -0.15 -0.25 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.90 2kom s SER 474 N -0.25 2.25 0.17 1.98 1.04 -0.83 -4.97 113.70 113.08 2kom s SER 474 Ca -0.04 -1.19 0.10 0.00 0.48 0.00 0.00 55.95 55.30 2kom s SER 474 Cb -0.03 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 2kom s SER 474 CO 0.02 -0.42 -0.23 0.27 0.98 0.00 0.00 173.24 173.86 2kom s ILE 475 N -3.23 2.15 0.00 -1.02 -4.36 -1.26 0.49 121.20 113.97 2kom s ILE 475 Ca 0.28 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 58.76 2kom s ILE 475 Cb 0.04 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.77 2kom s ILE 475 CO 0.09 -0.13 -0.04 0.28 0.24 0.00 0.00 174.94 175.38 2kom s THR 476 N -1.63 0.31 -0.05 8.37 -1.32 0.13 -4.66 115.64 116.78 2kom s THR 476 Ca 0.17 -0.27 -0.02 0.00 -1.21 0.00 0.00 61.69 60.36 2kom s THR 476 Cb -0.08 -0.28 0.03 0.00 -1.51 0.00 0.00 72.50 70.66 2kom s THR 476 CO 0.08 0.02 0.10 -0.44 -2.21 0.00 0.00 174.62 172.17 2kom s SER 477 N -0.28 -0.06 0.08 8.08 0.01 -1.26 -0.88 113.70 119.39 2kom s SER 477 Ca -0.00 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2kom s SER 477 Cb -0.03 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2kom s SER 477 CO -0.00 -0.12 0.00 0.54 0.41 0.00 0.00 173.24 174.07 2kom n ARG 478 N 3.99 0.00 -4.04 12.44 5.12 -1.26 -5.03 116.66 127.88 2kom n ARG 478 Ca -0.24 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.58 2kom n ARG 478 Cb 0.53 -0.27 -0.11 0.00 -1.16 0.00 0.00 32.46 31.44 2kom n ARG 478 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kom s ASP 479 N -5.50 0.56 -0.17 0.55 1.01 -1.26 -4.97 116.67 106.89 2kom s ASP 479 Ca 0.00 -0.65 -0.35 0.00 0.71 0.00 0.00 52.55 52.26 2kom s ASP 479 Cb 0.00 0.10 -0.12 0.00 1.01 0.00 0.00 42.92 43.91 2kom s ASP 479 CO 0.00 -0.34 1.94 0.55 0.21 0.00 0.00 175.17 177.53 2kom n VAL 480 N 1.15 0.47 0.00 -1.27 3.14 -0.84 -4.50 118.33 116.47 2kom n VAL 480 Ca -0.21 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 2kom n VAL 480 Cb 0.56 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.55 2kom n VAL 480 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2kom n THR 481 N 5.61 0.00 -0.06 1.55 -2.24 -1.26 -4.97 114.28 112.90 2kom n THR 481 Ca 0.27 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.83 2kom n THR 481 Cb 0.27 -0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 68.09 2kom n THR 481 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2kom n ILE 482 N -1.27 1.65 -0.81 2.28 5.41 -1.26 -4.98 119.36 120.37 2kom n ILE 482 Ca 0.00 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.28 2kom n ILE 482 Cb 0.00 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.17 2kom n ILE 482 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kom n GLY 483 N 1.84 1.71 0.00 7.39 0.00 -1.26 -5.10 105.19 109.77 2kom n GLY 483 Ca -0.37 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2kom n GLY 483 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kom n GLY 484 N 5.00 -1.58 0.33 -0.02 0.00 -1.26 -4.81 105.19 102.85 2kom n GLY 484 Ca 0.00 -1.49 0.22 0.00 0.00 0.00 0.00 46.02 44.75 2kom n GLY 484 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kom h SER 485 N -0.00 0.52 -2.55 1.61 0.02 -1.96 -3.24 113.55 107.95 2kom h SER 485 Ca 0.00 0.18 -0.48 0.00 -0.84 0.00 0.00 61.79 60.65 2kom h SER 485 Cb 0.00 0.12 -0.38 0.00 0.14 0.00 0.00 62.40 62.29 2kom h SER 485 CO 0.00 -0.09 -0.75 0.00 -1.14 0.00 0.00 176.83 174.84 2kom s ALA 486 N -5.70 0.35 0.23 3.77 0.00 -1.26 -1.99 121.76 117.16 2kom s ALA 486 Ca -0.10 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 2kom s ALA 486 Cb 0.29 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.76 2kom s ALA 486 CO 0.79 -1.78 1.00 -2.14 0.00 0.00 0.00 175.76 173.63 2kom s PRO 487 N 1.94 4.76 -0.23 0.00 0.02 -1.22 -4.92 135.00 135.34 2kom s PRO 487 Ca 0.11 1.59 -0.23 0.00 0.02 0.00 0.00 61.00 62.49 2kom s PRO 487 Cb -0.17 -3.27 -0.01 0.00 0.02 0.00 0.00 34.50 31.07 2kom s PRO 487 CO -0.27 0.36 0.76 0.42 -0.33 0.00 0.00 177.00 177.94 2kom s ILE 488 N -0.93 4.89 0.12 2.83 -1.09 -1.26 -4.32 121.20 121.44 2kom s ILE 488 Ca 0.43 1.43 0.10 0.00 -2.23 0.00 0.00 60.65 60.39 2kom s ILE 488 Cb -0.28 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 2kom s ILE 488 CO 0.34 -0.02 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.46 2kom s TYR 489 N 2.62 2.18 -0.13 3.97 2.02 -0.06 0.07 117.35 128.03 2kom s TYR 489 Ca 0.32 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.34 2kom s TYR 489 Cb -0.15 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.19 2kom s TYR 489 CO 0.08 0.31 1.42 0.08 -1.57 0.00 0.00 175.55 175.87 2kom s VAL 490 N -1.10 4.01 -0.13 0.71 1.01 0.01 0.17 120.40 125.07 2kom s VAL 490 Ca 0.12 1.21 -0.10 0.00 0.00 0.00 0.00 61.98 63.22 2kom s VAL 490 Cb -0.10 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 2kom s VAL 490 CO 0.06 -0.12 0.07 0.50 0.00 0.00 0.00 175.10 175.61 2kom h LYS 491 N 8.77 0.00 -4.47 2.72 3.64 -0.23 -2.52 116.57 124.48 2kom h LYS 491 Ca -0.31 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.82 2kom h LYS 491 Cb 1.13 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.75 2kom h LYS 491 CO 0.97 0.25 -0.72 1.21 -2.27 0.00 0.00 179.45 178.89 2kom s ASN 492 N -5.86 0.78 -0.27 4.20 2.47 -1.20 -4.79 114.94 110.27 2kom s ASN 492 Ca -0.11 -0.63 0.02 0.00 0.42 0.00 0.00 52.86 52.56 2kom s ASN 492 Cb 0.01 0.06 0.07 0.00 -1.45 0.00 0.00 41.25 39.94 2kom s ASN 492 CO 0.24 -0.28 -0.04 -0.63 -3.72 0.00 0.00 177.10 172.68 2kom s ILE 493 N -1.84 1.85 -0.17 -5.21 -1.09 -1.26 -1.97 121.20 111.51 2kom s ILE 493 Ca -0.07 -1.62 -0.29 0.00 -2.23 0.00 0.00 60.65 56.44 2kom s ILE 493 Cb -0.07 -2.14 -0.05 0.00 -1.58 0.00 0.00 42.46 38.62 2kom s ILE 493 CO -0.01 -0.24 1.94 -0.76 -1.23 0.00 0.00 174.94 174.64 2kom s LEU 494 N 1.21 3.83 0.00 2.97 2.01 0.99 -4.84 118.68 124.85 2kom s LEU 494 Ca -0.02 1.95 0.00 0.00 0.01 0.00 0.00 54.13 56.07 2kom s LEU 494 Cb -0.19 -3.52 0.00 0.00 0.01 0.00 0.00 46.19 42.49 2kom s LEU 494 CO -0.08 -1.50 0.79 -0.81 1.01 0.00 0.00 176.35 175.76 2kom n PRO 495 N 8.10 0.81 0.00 1.29 -0.04 -1.26 -2.02 135.00 141.88 2kom n PRO 495 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2kom n PRO 495 Cb 0.44 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 2kom n PRO 495 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2kom n ARG 496 N 0.57 0.00 0.00 0.54 1.85 -1.26 -4.92 116.66 113.44 2kom n ARG 496 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 2kom n ARG 496 Cb 0.40 -0.14 0.00 0.00 -1.05 0.00 0.00 32.46 31.67 2kom n ARG 496 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kom n GLY 497 N 0.00 4.13 0.36 2.89 0.00 -0.85 -4.12 105.19 107.60 2kom n GLY 497 Ca 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 2kom n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kom h ALA 498 N 0.39 1.23 -0.84 4.61 0.00 -0.93 -1.97 119.26 121.75 2kom h ALA 498 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2kom h ALA 498 Cb 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.35 2kom h ALA 498 CO 0.00 0.60 0.55 0.00 0.00 0.00 0.00 179.25 180.40 2kom h ALA 499 N 1.36 1.57 0.14 0.00 0.00 -1.81 -0.58 119.26 119.95 2kom h ALA 499 Ca 0.36 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.96 2kom h ALA 499 Cb -0.13 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.42 2kom h ALA 499 CO -0.08 0.31 -1.28 0.97 0.00 0.00 0.00 179.25 179.16 2kom h ILE 500 N 0.94 1.46 -0.32 0.00 2.10 -1.59 0.39 117.51 120.51 2kom h ILE 500 Ca 0.36 -3.02 0.02 0.00 1.08 0.00 0.00 64.86 63.30 2kom h ILE 500 Cb 0.20 2.96 -0.02 0.00 -1.09 0.00 0.00 36.82 38.86 2kom h ILE 500 CO -0.13 0.88 0.17 1.56 -1.08 0.00 0.00 178.15 179.55 2kom h GLN 501 N 0.08 0.34 0.00 2.19 1.08 -0.62 -2.92 115.11 115.26 2kom h GLN 501 Ca -0.15 -0.02 -0.29 0.00 -1.45 0.00 0.00 58.65 56.74 2kom h GLN 501 Cb 2.00 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 29.30 2kom h GLN 501 CO 0.21 0.22 -1.69 -0.44 -0.95 0.00 0.00 178.83 176.19 2kom h ASP 502 N 0.35 0.01 0.00 1.46 3.32 -1.25 -3.48 116.42 116.83 2kom h ASP 502 Ca 0.13 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2kom h ASP 502 Cb 0.03 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2kom h ASP 502 CO -0.08 1.02 0.00 0.61 -1.72 0.00 0.00 179.24 179.07 2kom n GLY 503 N 1.56 2.29 0.22 2.75 0.00 0.14 -4.79 105.19 107.36 2kom n GLY 503 Ca -0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.01 2kom n GLY 503 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kom h ARG 504 N 0.52 0.00 -5.38 1.61 3.08 -1.91 -3.43 114.38 108.87 2kom h ARG 504 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 2kom h ARG 504 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.92 2kom h ARG 504 CO 0.00 0.00 -0.52 -1.17 -1.07 0.00 0.00 179.97 177.21 2kom s LEU 505 N -5.37 4.06 0.03 3.04 2.96 -1.26 -5.09 118.68 117.05 2kom s LEU 505 Ca 0.01 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2kom s LEU 505 Cb 0.09 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 2kom s LEU 505 CO 0.43 0.23 -0.07 -1.59 -1.32 0.00 0.00 176.35 174.02 2kom s LYS 506 N 0.05 0.51 0.03 1.98 0.00 -1.26 -4.87 119.74 116.17 2kom s LYS 506 Ca 0.08 -0.56 -0.30 0.00 0.00 0.00 0.00 55.97 55.18 2kom s LYS 506 Cb -0.12 -0.35 -0.08 0.00 0.00 0.00 0.00 37.83 37.28 2kom s LYS 506 CO 0.00 0.08 1.67 0.00 0.00 0.00 0.00 175.35 177.10 2kom s ALA 507 N -0.93 3.66 0.00 0.59 0.00 -1.26 -2.82 121.76 120.99 2kom s ALA 507 Ca -0.05 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2kom s ALA 507 Cb -0.07 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2kom s ALA 507 CO 0.00 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 174.96 2kom n GLY 508 N 4.07 1.44 3.86 0.00 0.00 -0.95 -5.01 105.19 108.60 2kom n GLY 508 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2kom n GLY 508 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kom s ASP 509 N -0.83 6.45 -0.08 1.61 1.01 -1.13 -4.81 116.67 118.89 2kom s ASP 509 Ca 0.00 1.44 -0.13 0.00 0.71 0.00 0.00 52.55 54.57 2kom s ASP 509 Cb 0.00 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 2kom s ASP 509 CO 0.00 -0.67 0.32 -0.60 0.21 0.00 0.00 175.17 174.43 2kom s ARG 510 N -4.48 3.94 0.06 8.23 3.52 -0.54 -0.81 118.95 128.86 2kom s ARG 510 Ca 0.56 0.20 -0.24 0.00 -0.13 0.00 0.00 55.73 56.12 2kom s ARG 510 Cb -0.10 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 29.94 2kom s ARG 510 CO 0.40 0.55 0.72 -0.51 -0.81 0.00 0.00 175.30 175.65 2kom s LEU 511 N -0.51 4.48 -0.23 -0.88 1.43 0.11 0.25 118.68 123.32 2kom s LEU 511 Ca 0.20 1.42 -0.06 0.00 -1.03 0.00 0.00 54.13 54.66 2kom s LEU 511 Cb -0.14 -3.16 -0.12 0.00 0.03 0.00 0.00 46.19 42.80 2kom s LEU 511 CO 0.08 0.09 -0.25 -0.38 0.23 0.00 0.00 176.35 176.12 2kom n ILE 512 N 2.49 1.26 -3.59 -0.59 2.08 0.13 -4.48 119.36 116.66 2kom n ILE 512 Ca -0.04 -0.39 -0.12 0.00 0.56 0.00 0.00 62.75 62.75 2kom n ILE 512 Cb 0.50 -1.58 -0.05 0.00 -0.75 0.00 0.00 39.64 37.77 2kom n ILE 512 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2kom s GLU 513 N -2.43 1.06 -0.07 0.38 4.04 -1.16 -3.56 118.70 116.97 2kom s GLU 513 Ca -0.31 -0.44 -0.05 0.00 0.04 0.00 0.00 54.97 54.21 2kom s GLU 513 Cb 0.10 0.48 0.03 0.00 0.02 0.00 0.00 34.13 34.75 2kom s GLU 513 CO 0.45 -0.40 0.17 0.54 -1.84 0.00 0.00 175.26 174.17 2kom s VAL 514 N -3.06 -0.02 -0.36 1.83 0.11 -0.65 -0.64 120.40 117.60 2kom s VAL 514 Ca -0.02 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2kom s VAL 514 Cb 0.00 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 2kom s VAL 514 CO -0.07 0.03 0.00 -3.20 -3.33 0.00 0.00 175.10 168.53 2kom n ASN 515 N 3.46 -5.03 0.00 3.54 2.85 0.25 -1.02 115.26 119.30 2kom n ASN 515 Ca -0.18 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 2kom n ASN 515 Cb 0.56 -2.83 0.00 0.00 1.24 0.00 0.00 39.78 38.75 2kom n ASN 515 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kom n GLY 516 N -0.42 0.80 3.34 8.20 0.00 -1.26 -4.81 105.19 111.04 2kom n GLY 516 Ca -0.03 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2kom n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kom s VAL 517 N -2.00 2.07 0.32 1.61 1.01 -0.19 -5.13 120.40 118.10 2kom s VAL 517 Ca 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 61.98 60.40 2kom s VAL 517 Cb 0.00 -1.80 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 2kom s VAL 517 CO 0.00 0.23 0.66 1.51 0.00 0.00 0.00 175.10 177.51 2kom s ASP 518 N -1.51 6.58 -0.25 3.32 -4.77 -1.26 -1.64 116.67 117.13 2kom s ASP 518 Ca 0.11 1.02 -0.15 0.00 -3.30 0.00 0.00 52.55 50.24 2kom s ASP 518 Cb -0.10 -2.27 -0.10 0.00 -1.09 0.00 0.00 42.92 39.36 2kom s ASP 518 CO 0.03 -0.24 -0.35 0.18 0.70 0.00 0.00 175.17 175.50 2kom n LEU 519 N -0.76 1.91 -4.60 2.11 4.77 -1.23 -4.76 117.00 114.44 2kom n LEU 519 Ca 0.01 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.89 2kom n LEU 519 Cb 0.53 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2kom n LEU 519 CO 0.46 0.35 1.64 -0.69 -1.33 0.00 0.00 177.39 177.82 2kom s VAL 520 N -2.60 3.32 0.00 4.08 1.01 -1.26 -0.53 120.40 124.42 2kom s VAL 520 Ca -0.35 0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2kom s VAL 520 Cb 0.12 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2kom s VAL 520 CO 0.46 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2kom n GLY 521 N 5.54 2.49 3.78 4.51 0.00 -1.26 -5.11 105.19 115.15 2kom n GLY 521 Ca 0.25 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2kom n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kom s LYS 522 N 0.00 2.70 0.53 1.61 -2.85 0.31 -5.12 119.74 116.92 2kom s LYS 522 Ca 0.00 -1.23 -0.05 0.00 -1.00 0.00 0.00 55.97 53.69 2kom s LYS 522 Cb 0.00 -2.43 -0.01 0.00 -2.06 0.00 0.00 37.83 33.33 2kom s LYS 522 CO 0.00 0.30 0.83 -1.12 0.10 0.00 0.00 175.35 175.46 2kom s SER 523 N -3.84 5.94 0.21 0.03 0.01 -1.26 -4.92 113.70 109.87 2kom s SER 523 Ca 0.35 0.79 -0.10 0.00 1.31 0.00 0.00 55.95 58.30 2kom s SER 523 Cb -0.07 -1.96 0.29 0.00 0.21 0.00 0.00 66.02 64.49 2kom s SER 523 CO 0.24 -0.80 1.70 1.56 0.41 0.00 0.00 173.24 176.35 2kom h GLN 524 N 0.06 0.24 -0.24 12.44 4.20 -1.97 -0.54 115.11 129.31 2kom h GLN 524 Ca -0.46 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2kom h GLN 524 Cb 1.23 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2kom h GLN 524 CO 0.61 0.16 0.16 0.93 -0.67 0.00 0.00 178.83 180.02 2kom h GLU 525 N 0.25 0.32 -0.24 1.46 5.08 -1.98 0.23 114.58 119.70 2kom h GLU 525 Ca 0.31 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.45 2kom h GLU 525 Cb 0.47 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2kom h GLU 525 CO -0.41 0.21 -0.64 0.93 -1.00 0.00 0.00 179.01 178.11 2kom h GLU 526 N 0.33 0.85 -0.46 2.33 5.08 -1.50 -1.01 114.58 120.19 2kom h GLU 526 Ca 0.09 -0.59 -0.09 0.00 -1.00 0.00 0.00 59.36 57.76 2kom h GLU 526 Cb -0.04 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2kom h GLU 526 CO -0.02 1.22 -0.07 0.28 -1.00 0.00 0.00 179.01 179.41 2kom h VAL 527 N 0.62 1.27 -0.53 3.13 2.07 -0.53 -1.42 116.25 120.86 2kom h VAL 527 Ca -0.01 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.23 2kom h VAL 527 Cb 1.26 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2kom h VAL 527 CO 0.14 0.41 -0.05 -0.37 0.02 0.00 0.00 177.57 177.72 2kom h VAL 528 N 0.71 1.27 -0.58 2.57 -1.51 -0.50 -1.19 116.25 117.02 2kom h VAL 528 Ca 0.12 -1.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 2kom h VAL 528 Cb 0.61 0.96 -0.03 0.00 -2.13 0.00 0.00 31.29 30.70 2kom h VAL 528 CO 0.04 0.42 0.37 0.28 -1.23 0.00 0.00 177.57 177.44 2kom h SER 529 N 0.84 0.68 0.35 4.19 0.02 -1.06 0.31 113.55 118.87 2kom h SER 529 Ca 0.14 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 2kom h SER 529 Cb 0.60 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2kom h SER 529 CO 0.04 0.51 -0.37 0.17 -1.14 0.00 0.00 176.83 176.05 2kom h LEU 530 N 0.78 0.03 -0.07 5.07 8.10 -1.03 -0.08 115.31 128.12 2kom h LEU 530 Ca 0.21 -0.01 -0.03 0.00 0.11 0.00 0.00 57.88 58.16 2kom h LEU 530 Cb -0.06 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.15 2kom h LEU 530 CO -0.04 0.40 -0.07 0.25 -4.11 0.00 0.00 178.44 174.86 2kom h LEU 531 N 0.03 0.18 -1.02 0.17 5.85 -0.45 -2.67 115.31 117.40 2kom h LEU 531 Ca 0.00 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2kom h LEU 531 Cb 0.66 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 2kom h LEU 531 CO 0.05 0.63 0.50 0.03 -0.34 0.00 0.00 178.44 179.31 2kom h ARG 532 N -0.27 1.17 -0.59 1.25 2.47 0.04 -1.09 114.38 117.37 2kom h ARG 532 Ca 0.01 -0.12 -0.08 0.00 -1.26 0.00 0.00 59.98 58.54 2kom h ARG 532 Cb 0.58 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 2kom h ARG 532 CO 0.02 0.84 0.06 1.03 0.56 0.00 0.00 179.97 182.47 2kom h SER 533 N 1.19 0.94 -3.75 7.04 0.87 -1.08 -3.49 113.55 115.26 2kom h SER 533 Ca 0.31 -0.23 0.19 0.00 -1.23 0.00 0.00 61.79 60.82 2kom h SER 533 Cb -0.02 -0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 61.61 2kom h SER 533 CO -0.05 0.97 -0.54 0.41 -0.53 0.00 0.00 176.83 177.08 2kom n THR 534 N -4.21 -0.17 -2.81 2.23 -1.04 -0.41 -4.87 114.28 102.99 2kom n THR 534 Ca 0.04 0.34 -0.33 0.00 -2.04 0.00 0.00 64.05 62.06 2kom n THR 534 Cb 0.30 -0.59 -0.06 0.00 -1.82 0.00 0.00 70.33 68.16 2kom n THR 534 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kom s LYS 535 N -3.01 4.12 0.40 -2.82 2.47 -1.26 -4.97 119.74 114.66 2kom s LYS 535 Ca 0.00 0.97 0.10 0.00 -1.56 0.00 0.00 55.97 55.48 2kom s LYS 535 Cb 0.00 -2.23 0.82 0.00 -1.46 0.00 0.00 37.83 34.96 2kom s LYS 535 CO 0.00 -0.04 1.94 0.52 0.16 0.00 0.00 175.35 177.93 2kom h MET 536 N 1.78 0.23 -0.20 4.03 2.86 -1.90 -0.50 114.93 121.22 2kom h MET 536 Ca -0.48 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.08 2kom h MET 536 Cb 1.18 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 2kom h MET 536 CO 0.62 0.35 0.01 1.49 1.06 0.00 0.00 176.91 180.44 2kom h GLU 537 N 0.22 0.29 0.00 1.72 4.81 -2.01 -3.46 114.58 116.15 2kom h GLU 537 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2kom h GLU 537 Cb 0.33 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2kom h GLU 537 CO 0.02 0.31 0.00 0.41 -0.73 0.00 0.00 179.01 179.01 2kom n GLY 538 N -1.17 1.51 3.72 1.92 0.00 -0.20 -4.97 105.19 106.00 2kom n GLY 538 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2kom n GLY 538 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kom s THR 539 N -2.29 5.31 -0.14 2.61 2.01 -1.26 -0.41 115.64 121.47 2kom s THR 539 Ca 0.00 0.50 -0.04 0.00 0.31 0.00 0.00 61.69 62.46 2kom s THR 539 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2kom s THR 539 CO 0.00 0.37 0.00 -0.69 -0.69 0.00 0.00 174.62 173.62 2kom s VAL 540 N 0.61 4.30 -0.12 3.82 1.01 0.18 -4.51 120.40 125.70 2kom s VAL 540 Ca 0.15 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 2kom s VAL 540 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2kom s VAL 540 CO 0.04 0.52 0.49 -0.55 0.00 0.00 0.00 175.10 175.61 2kom s SER 541 N -0.08 6.70 -0.11 3.32 0.15 -1.26 -0.51 113.70 121.90 2kom s SER 541 Ca 0.04 0.83 0.02 0.00 0.70 0.00 0.00 55.95 57.54 2kom s SER 541 Cb -0.13 -2.29 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 2kom s SER 541 CO 0.02 -0.02 -0.20 -0.76 1.20 0.00 0.00 173.24 173.48 2kom s LEU 542 N 0.71 2.35 -0.24 3.45 2.01 0.28 0.84 118.68 128.08 2kom s LEU 542 Ca 0.27 -0.46 -0.03 0.00 0.01 0.00 0.00 54.13 53.91 2kom s LEU 542 Cb -0.15 -1.49 0.01 0.00 0.01 0.00 0.00 46.19 44.56 2kom s LEU 542 CO 0.11 0.17 -0.04 -0.22 1.01 0.00 0.00 176.35 177.38 2kom s LEU 543 N 0.31 3.07 0.13 1.79 2.96 0.18 0.42 118.68 127.54 2kom s LEU 543 Ca -0.15 -0.59 0.09 0.00 -0.22 0.00 0.00 54.13 53.26 2kom s LEU 543 Cb -0.17 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2kom s LEU 543 CO 0.07 -0.07 -0.16 0.68 -1.32 0.00 0.00 176.35 175.55 2kom s VAL 544 N 1.43 2.94 -0.26 1.68 -7.23 -0.17 0.19 120.40 118.98 2kom s VAL 544 Ca 0.04 -1.53 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2kom s VAL 544 Cb -0.15 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.42 2kom s VAL 544 CO -0.03 0.05 0.00 0.12 -0.31 0.00 0.00 175.10 174.93 2kom s PHE 545 N -1.28 3.09 -0.21 2.82 5.36 0.14 -0.65 117.98 127.24 2kom s PHE 545 Ca 0.20 -1.21 -0.05 0.00 -0.96 0.00 0.00 56.93 54.91 2kom s PHE 545 Cb -0.10 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 2kom s PHE 545 CO 0.11 -0.63 -0.01 0.50 -1.46 0.00 0.00 175.22 173.73 2kom s ARG 546 N 1.42 3.55 0.21 10.12 3.52 0.11 -1.47 118.95 136.40 2kom s ARG 546 Ca 0.02 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.77 2kom s ARG 546 Cb -0.16 -3.08 -0.08 0.00 -1.56 0.00 0.00 34.95 30.06 2kom s ARG 546 CO -0.01 -0.07 0.97 1.14 -0.81 0.00 0.00 175.30 176.51 2kom s GLN 547 N 1.21 4.79 -0.36 5.12 -2.07 -1.26 -0.96 119.66 126.12 2kom s GLN 547 Ca 0.03 1.52 -0.04 0.00 -1.82 0.00 0.00 55.36 55.04 2kom s GLN 547 Cb -0.15 -3.30 0.07 0.00 -1.09 0.00 0.00 33.01 28.55 2kom s GLN 547 CO 0.01 0.40 0.13 -1.21 -1.32 0.00 0.00 175.29 173.29 2kom s GLU 548 N -0.85 2.34 0.00 9.60 2.02 -1.26 -4.92 118.70 125.62 2kom s GLU 548 Ca 0.43 -1.47 0.21 0.00 0.02 0.00 0.00 54.97 54.16 2kom s GLU 548 Cb -0.26 -3.47 1.25 0.00 0.10 0.00 0.00 34.13 31.75 2kom s GLU 548 CO 0.32 -0.84 1.63 -0.25 0.02 0.00 0.00 175.26 176.14