#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 3.92 -0.41 1.61 0.01 -1.26 -4.96 113.70 112.62 2kom s SER 450 Ca 0.00 -3.14 0.05 0.00 1.31 0.00 0.00 55.95 54.17 2kom s SER 450 Cb 0.00 -1.30 0.19 0.00 0.21 0.00 0.00 66.02 65.12 2kom s SER 450 CO 0.00 -0.19 0.38 -1.22 0.41 0.00 0.00 173.24 172.62 2kom n TYR 451 N 2.89 -0.83 -3.62 2.43 4.01 -1.26 -4.93 117.16 115.86 2kom n TYR 451 Ca 0.13 -3.35 -0.28 0.00 -0.16 0.00 0.00 57.90 54.24 2kom n TYR 451 Cb 0.35 0.13 -0.16 0.00 -0.31 0.00 0.00 39.34 39.36 2kom n TYR 451 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2kom s ASN 452 N -0.23 3.20 0.00 7.72 -0.87 -1.26 -4.83 114.94 118.68 2kom s ASN 452 Ca 0.33 -1.09 0.00 0.00 -1.57 0.00 0.00 52.86 50.53 2kom s ASN 452 Cb 0.07 -0.44 0.00 0.00 -0.02 0.00 0.00 41.25 40.86 2kom s ASN 452 CO -0.18 -0.39 0.00 0.41 -2.57 0.00 0.00 177.10 174.37 2kom n THR 453 N 5.16 0.00 -0.66 1.60 -1.04 -1.26 -4.76 114.28 113.33 2kom n THR 453 Ca -0.06 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.99 2kom n THR 453 Cb 0.45 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.93 2kom n THR 453 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2kom n LYS 454 N -1.81 -1.62 -3.61 -2.82 4.76 -1.26 -4.84 118.16 106.96 2kom n LYS 454 Ca 0.00 1.29 -0.39 0.00 -2.87 0.00 0.00 58.31 56.34 2kom n LYS 454 Cb 0.00 -1.72 -0.11 0.00 -1.84 0.00 0.00 35.03 31.35 2kom n LYS 454 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2kom s LYS 455 N -4.07 3.41 -0.58 1.97 2.20 -1.26 -5.03 119.74 116.38 2kom s LYS 455 Ca 0.00 -0.68 -0.28 0.00 -0.36 0.00 0.00 55.97 54.65 2kom s LYS 455 Cb 0.00 -3.64 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 2kom s LYS 455 CO 0.00 -0.42 1.31 0.42 -0.36 0.00 0.00 175.35 176.30 2kom s ILE 456 N 1.65 3.89 0.00 5.43 1.09 -1.26 -4.73 121.20 127.26 2kom s ILE 456 Ca 0.05 0.76 0.00 0.00 -1.10 0.00 0.00 60.65 60.37 2kom s ILE 456 Cb -0.17 -4.59 0.00 0.00 -1.06 0.00 0.00 42.46 36.64 2kom s ILE 456 CO 0.08 -1.28 0.00 0.61 -0.10 0.00 0.00 174.94 174.25 2kom n GLY 457 N 5.17 4.03 3.77 6.18 0.00 -1.26 -4.89 105.19 118.19 2kom n GLY 457 Ca 0.10 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 2kom n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kom s LYS 458 N -5.16 3.85 -0.13 1.61 -0.14 0.13 -4.90 119.74 115.01 2kom s LYS 458 Ca 0.00 -0.21 -0.07 0.00 -1.36 0.00 0.00 55.97 54.33 2kom s LYS 458 Cb 0.00 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 2kom s LYS 458 CO 0.00 0.48 0.12 1.03 -0.76 0.00 0.00 175.35 176.22 2kom s ARG 459 N -0.17 3.48 -0.04 1.68 0.52 -1.26 -0.58 118.95 122.60 2kom s ARG 459 Ca 0.10 -0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.16 2kom s ARG 459 Cb -0.12 -3.17 0.01 0.00 0.52 0.00 0.00 34.95 32.19 2kom s ARG 459 CO 0.00 0.71 -0.11 -0.51 0.02 0.00 0.00 175.30 175.41 2kom s LEU 460 N -0.83 1.75 -0.34 2.53 1.02 0.43 -4.94 118.68 118.31 2kom s LEU 460 Ca 0.14 -0.24 -0.17 0.00 0.02 0.00 0.00 54.13 53.87 2kom s LEU 460 Cb -0.12 -0.69 -0.01 0.00 0.02 0.00 0.00 46.19 45.39 2kom s LEU 460 CO 0.03 0.07 0.47 0.54 0.02 0.00 0.00 176.35 177.49 2kom s ASN 461 N 0.31 6.29 0.01 2.29 2.20 -1.26 -0.65 114.94 124.13 2kom s ASN 461 Ca -0.06 -0.00 0.08 0.00 -0.94 0.00 0.00 52.86 51.93 2kom s ASN 461 Cb -0.11 -2.25 -0.02 0.00 -2.00 0.00 0.00 41.25 36.86 2kom s ASN 461 CO 0.01 -0.42 -0.25 -0.63 -2.94 0.00 0.00 177.10 172.88 2kom s ILE 462 N 2.29 1.99 -0.08 0.54 1.01 0.14 -4.97 121.20 122.12 2kom s ILE 462 Ca 0.17 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 59.67 2kom s ILE 462 Cb -0.16 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.64 2kom s ILE 462 CO 0.12 0.46 -0.19 -1.10 0.00 0.00 0.00 174.94 174.24 2kom s GLN 463 N -0.86 2.42 -0.09 2.79 -0.21 -1.26 0.82 119.66 123.26 2kom s GLN 463 Ca 0.10 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 54.83 2kom s GLN 463 Cb -0.10 -1.89 -0.02 0.00 1.00 0.00 0.00 33.01 32.01 2kom s GLN 463 CO 0.00 0.12 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.62 2kom s LEU 464 N 0.45 2.56 -0.15 2.90 2.01 0.32 -4.89 118.68 121.89 2kom s LEU 464 Ca -0.16 -0.34 -0.06 0.00 0.01 0.00 0.00 54.13 53.57 2kom s LEU 464 Cb -0.17 -1.54 -0.04 0.00 0.01 0.00 0.00 46.19 44.45 2kom s LEU 464 CO 0.06 0.23 0.08 -0.75 1.01 0.00 0.00 176.35 176.98 2kom s LYS 465 N -0.02 3.64 0.14 1.70 2.20 -1.26 0.54 119.74 126.67 2kom s LYS 465 Ca -0.05 -0.28 -0.32 0.00 -0.36 0.00 0.00 55.97 54.97 2kom s LYS 465 Cb -0.14 -3.15 -0.12 0.00 -1.51 0.00 0.00 37.83 32.92 2kom s LYS 465 CO 0.04 0.51 1.78 1.17 -0.36 0.00 0.00 175.35 178.50 2kom n LYS 466 N 2.79 2.67 0.00 4.03 4.81 -0.27 -4.57 118.16 127.62 2kom n LYS 466 Ca -0.18 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2kom n LYS 466 Cb 0.53 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.75 2kom n LYS 466 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kom n GLY 467 N 4.07 5.56 0.00 3.14 0.00 -1.26 -4.92 105.19 111.78 2kom n GLY 467 Ca 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2kom n GLY 467 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kom n THR 468 N 0.00 0.00 1.27 2.61 5.66 -1.26 -2.59 114.28 119.97 2kom n THR 468 Ca 0.00 1.46 0.13 0.00 -3.05 0.00 0.00 64.05 62.59 2kom n THR 468 Cb 0.00 -2.22 0.34 0.00 -1.55 0.00 0.00 70.33 66.91 2kom n THR 468 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kom n GLU 469 N -2.37 1.36 0.00 1.09 4.71 -1.23 -5.04 120.64 119.16 2kom n GLU 469 Ca 0.00 -0.90 0.00 0.00 -0.01 0.00 0.00 57.16 56.25 2kom n GLU 469 Cb 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 28.95 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kom n GLY 470 N 1.29 1.11 3.53 0.62 0.00 -1.07 -4.53 105.19 106.15 2kom n GLY 470 Ca 0.14 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 1.61 -2.74 0.99 4.77 -1.26 0.16 117.00 120.53 2kom n LEU 471 Ca 0.00 -0.35 -0.28 0.00 -0.03 0.00 0.00 56.01 55.35 2kom n LEU 471 Cb 0.00 -1.37 -0.01 0.00 -2.33 0.00 0.00 43.42 39.71 2kom n LEU 471 CO 0.00 -1.37 0.29 0.61 -1.33 0.00 0.00 177.39 175.59 2kom n GLY 472 N 6.18 5.83 2.94 -0.72 0.00 -1.26 -4.83 105.19 113.33 2kom n GLY 472 Ca 0.47 -2.76 -0.14 0.00 0.00 0.00 0.00 46.02 43.59 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 -3.57 0.31 0.11 1.61 -0.71 -1.26 0.31 117.98 114.78 2kom s PHE 473 Ca 0.48 -0.11 0.10 0.00 -1.04 0.00 0.00 56.93 56.36 2kom s PHE 473 Cb 0.34 -0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 2kom s PHE 473 CO -0.18 -0.02 -0.23 -1.12 -1.34 0.00 0.00 175.22 172.33 2kom s SER 474 N -0.26 3.53 0.16 1.98 0.01 0.43 -4.95 113.70 114.60 2kom s SER 474 Ca -0.01 -0.64 0.07 0.00 1.31 0.00 0.00 55.95 56.69 2kom s SER 474 Cb -0.02 -0.37 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 2kom s SER 474 CO -0.00 0.20 -0.02 0.27 0.41 0.00 0.00 173.24 174.10 2kom s ILE 475 N -1.05 3.68 0.12 1.44 -4.36 -1.26 0.52 121.20 120.29 2kom s ILE 475 Ca 0.15 -1.38 0.03 0.00 -0.26 0.00 0.00 60.65 59.19 2kom s ILE 475 Cb -0.10 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 2kom s ILE 475 CO 0.07 -0.06 -0.08 0.28 0.24 0.00 0.00 174.94 175.38 2kom s THR 476 N -1.63 0.89 0.11 8.37 -1.32 0.12 -4.71 115.64 117.47 2kom s THR 476 Ca 0.26 -1.98 0.05 0.00 -1.21 0.00 0.00 61.69 58.82 2kom s THR 476 Cb -0.10 -1.74 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 2kom s THR 476 CO 0.18 -0.82 -0.13 -0.94 -2.21 0.00 0.00 174.62 170.70 2kom s SER 477 N -3.08 1.85 0.24 8.08 1.04 -1.26 0.31 113.70 120.88 2kom s SER 477 Ca 0.14 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.79 2kom s SER 477 Cb 0.04 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 2kom s SER 477 CO -0.03 -0.17 0.04 -0.13 0.98 0.00 0.00 173.24 173.93 2kom s ARG 478 N -2.66 1.35 0.22 4.02 0.52 -1.21 -5.01 118.95 116.18 2kom s ARG 478 Ca 0.08 -1.70 -0.30 0.00 -0.52 0.00 0.00 55.73 53.29 2kom s ARG 478 Cb -0.05 -0.46 -0.09 0.00 0.52 0.00 0.00 34.95 34.87 2kom s ARG 478 CO 0.02 -0.17 1.18 0.34 0.02 0.00 0.00 175.30 176.69 2kom s ASP 479 N -3.30 7.11 0.15 0.23 2.15 -1.26 -3.98 116.67 117.76 2kom s ASP 479 Ca 0.31 2.28 -0.31 0.00 0.43 0.00 0.00 52.55 55.26 2kom s ASP 479 Cb 0.07 -2.62 -0.09 0.00 -0.30 0.00 0.00 42.92 39.98 2kom s ASP 479 CO 0.10 -0.33 1.52 0.54 -0.17 0.00 0.00 175.17 176.83 2kom s VAL 480 N -0.43 2.84 -0.55 1.11 0.11 -1.26 -4.86 120.40 117.36 2kom s VAL 480 Ca 0.50 0.60 0.04 0.00 -2.93 0.00 0.00 61.98 60.19 2kom s VAL 480 Cb -0.33 -3.38 0.15 0.00 -1.53 0.00 0.00 36.38 31.28 2kom s VAL 480 CO 0.39 0.05 0.33 -0.89 -3.33 0.00 0.00 175.10 171.65 2kom s THR 481 N 1.17 2.20 -0.07 5.04 2.01 -1.26 -4.95 115.64 119.77 2kom s THR 481 Ca 0.68 -3.36 -0.05 0.00 0.31 0.00 0.00 61.69 59.27 2kom s THR 481 Cb -0.42 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 69.62 2kom s THR 481 CO 0.31 -0.92 0.11 -0.38 -0.69 0.00 0.00 174.62 173.04 2kom n ILE 482 N 2.86 -8.90 0.00 1.82 -0.00 -1.26 -5.01 119.36 108.87 2kom n ILE 482 Ca 0.12 1.74 0.00 0.00 -0.00 0.00 0.00 62.75 64.61 2kom n ILE 482 Cb 0.35 -5.18 0.00 0.00 -0.00 0.00 0.00 39.64 34.81 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 1.04 0.35 0.00 7.39 0.00 -1.26 -5.05 105.19 107.66 2kom n GLY 483 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.42 3.45 -0.02 0.00 -1.26 -4.92 105.19 102.87 2kom n GLY 484 Ca 0.00 -1.63 -0.44 0.00 0.00 0.00 0.00 46.02 43.96 2kom n GLY 484 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kom s SER 485 N -4.00 6.74 0.14 1.61 0.01 -1.26 -4.81 113.70 112.13 2kom s SER 485 Ca 0.00 -2.29 0.00 0.00 1.31 0.00 0.00 55.95 54.97 2kom s SER 485 Cb 0.00 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2kom s SER 485 CO 0.00 -0.98 0.00 0.00 0.41 0.00 0.00 173.24 172.67 2kom n ALA 486 N 6.31 -2.38 -2.44 1.44 0.00 -1.26 -2.51 120.51 119.67 2kom n ALA 486 Ca 0.27 0.31 -0.39 0.00 0.00 0.00 0.00 53.44 53.63 2kom n ALA 486 Cb 0.47 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 2kom n ALA 486 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kom s PRO 487 N -1.54 4.31 -0.11 0.00 0.04 -1.26 -4.41 135.00 132.03 2kom s PRO 487 Ca 0.00 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 2kom s PRO 487 Cb 0.00 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2kom s PRO 487 CO 0.00 0.41 0.25 0.42 0.04 0.00 0.00 177.00 178.12 2kom s ILE 488 N -0.35 5.32 0.12 0.56 -1.09 -1.26 -3.29 121.20 121.20 2kom s ILE 488 Ca 0.31 0.47 0.06 0.00 -2.23 0.00 0.00 60.65 59.25 2kom s ILE 488 Cb -0.19 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2kom s ILE 488 CO 0.18 0.53 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.96 2kom s TYR 489 N -0.49 1.39 -0.24 3.97 2.02 0.15 -1.10 117.35 123.04 2kom s TYR 489 Ca 0.17 -0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 56.04 2kom s TYR 489 Cb -0.13 -0.73 0.01 0.00 -0.40 0.00 0.00 41.96 40.70 2kom s TYR 489 CO 0.06 0.13 1.04 0.08 -1.57 0.00 0.00 175.55 175.29 2kom s VAL 490 N -2.02 4.66 -0.23 0.71 1.01 0.93 0.13 120.40 125.60 2kom s VAL 490 Ca 0.08 1.97 -0.12 0.00 0.00 0.00 0.00 61.98 63.90 2kom s VAL 490 Cb -0.06 -4.32 -0.18 0.00 0.00 0.00 0.00 36.38 31.83 2kom s VAL 490 CO 0.03 -0.22 -0.03 1.17 0.00 0.00 0.00 175.10 176.04 2kom n LYS 491 N 6.39 0.62 -4.07 2.72 4.81 0.18 -0.55 118.16 128.27 2kom n LYS 491 Ca 0.12 0.34 -0.14 0.00 -0.87 0.00 0.00 58.31 57.76 2kom n LYS 491 Cb 0.46 -1.61 -0.14 0.00 0.02 0.00 0.00 35.03 33.76 2kom n LYS 491 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2kom s ASN 492 N -7.06 0.49 -0.31 3.14 3.84 -0.96 -4.66 114.94 109.43 2kom s ASN 492 Ca -0.32 -0.18 0.02 0.00 0.21 0.00 0.00 52.86 52.59 2kom s ASN 492 Cb 0.10 -0.02 0.09 0.00 -0.55 0.00 0.00 41.25 40.86 2kom s ASN 492 CO 0.59 -0.02 0.04 -0.63 -2.79 0.00 0.00 177.10 174.29 2kom s ILE 493 N -0.39 1.80 0.09 -5.21 -1.09 -1.26 -0.43 121.20 114.71 2kom s ILE 493 Ca -0.02 -1.91 -0.31 0.00 -2.23 0.00 0.00 60.65 56.19 2kom s ILE 493 Cb -0.03 -2.28 -0.08 0.00 -1.58 0.00 0.00 42.46 38.49 2kom s ILE 493 CO -0.00 -0.52 1.57 -0.76 -1.23 0.00 0.00 174.94 174.00 2kom s LEU 494 N 1.17 4.36 0.00 2.97 2.01 0.15 -4.87 118.68 124.47 2kom s LEU 494 Ca 0.07 2.45 0.00 0.00 0.01 0.00 0.00 54.13 56.67 2kom s LEU 494 Cb -0.19 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.44 2kom s LEU 494 CO -0.12 -0.82 0.94 -0.81 1.01 0.00 0.00 176.35 176.54 2kom n PRO 495 N 4.98 0.65 0.00 1.29 -0.04 -1.26 -2.11 135.00 138.51 2kom n PRO 495 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2kom n PRO 495 Cb 0.41 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.11 0.00 0.00 0.54 1.85 -1.26 -4.96 116.66 113.94 2kom n ARG 496 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2kom n ARG 496 Cb 0.33 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.74 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 1.03 0.36 2.89 0.00 -0.90 -3.46 105.19 105.11 2kom n GLY 497 Ca 0.00 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.36 1.32 -0.84 4.61 0.00 0.13 -2.18 119.26 120.94 2kom h ALA 498 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kom h ALA 498 Cb 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.40 2kom h ALA 498 CO 0.00 0.59 0.55 0.00 0.00 0.00 0.00 179.25 180.39 2kom h ALA 499 N 1.41 1.58 0.14 0.00 0.00 -1.82 -0.10 119.26 120.47 2kom h ALA 499 Ca 0.30 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.90 2kom h ALA 499 Cb -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2kom h ALA 499 CO -0.06 0.29 -1.37 0.97 0.00 0.00 0.00 179.25 179.09 2kom h ILE 500 N 0.93 1.36 -0.44 0.00 2.10 -1.62 0.15 117.51 120.00 2kom h ILE 500 Ca 0.36 -2.93 0.02 0.00 1.08 0.00 0.00 64.86 63.39 2kom h ILE 500 Cb 0.22 2.90 -0.03 0.00 -1.09 0.00 0.00 36.82 38.81 2kom h ILE 500 CO -0.13 0.86 0.25 1.56 -1.08 0.00 0.00 178.15 179.61 2kom h GLN 501 N 0.08 0.49 0.08 2.19 1.08 -0.68 -2.82 115.11 115.53 2kom h GLN 501 Ca -0.19 -0.03 -0.33 0.00 -1.45 0.00 0.00 58.65 56.65 2kom h GLN 501 Cb 2.01 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 29.30 2kom h GLN 501 CO 0.20 0.32 -1.84 -0.44 -0.95 0.00 0.00 178.83 176.12 2kom h ASP 502 N 0.50 0.28 -1.51 1.46 3.32 -1.20 -3.48 116.42 115.79 2kom h ASP 502 Ca 0.18 -0.58 -0.32 0.00 0.02 0.00 0.00 57.03 56.32 2kom h ASP 502 Cb 0.03 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.42 2kom h ASP 502 CO -0.09 1.52 -0.35 0.61 -1.72 0.00 0.00 179.24 179.21 2kom n GLY 503 N 1.81 0.68 0.01 2.75 0.00 0.54 -4.88 105.19 106.10 2kom n GLY 503 Ca -0.25 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.64 2kom n GLY 503 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kom n ARG 504 N -2.54 0.12 -4.42 1.61 3.00 -1.25 -4.93 116.66 108.25 2kom n ARG 504 Ca -0.17 -0.01 -0.27 0.00 -0.00 0.00 0.00 57.85 57.39 2kom n ARG 504 Cb 0.58 -1.52 -0.12 0.00 0.00 0.00 0.00 32.46 31.40 2kom n ARG 504 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2kom s LEU 505 N -3.34 2.43 0.07 6.15 2.96 -1.26 -5.00 118.68 120.70 2kom s LEU 505 Ca 0.06 -0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 53.05 2kom s LEU 505 Cb 0.16 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 2kom s LEU 505 CO 0.82 0.11 0.12 -1.59 -1.32 0.00 0.00 176.35 174.50 2kom s LYS 506 N -2.67 0.74 0.47 1.98 0.00 -1.26 -4.87 119.74 114.14 2kom s LYS 506 Ca 0.20 -0.98 -0.12 0.00 0.00 0.00 0.00 55.97 55.07 2kom s LYS 506 Cb -0.08 0.29 -0.06 0.00 0.00 0.00 0.00 37.83 37.98 2kom s LYS 506 CO 0.10 -0.21 0.87 0.00 0.00 0.00 0.00 175.35 176.11 2kom s ALA 507 N -3.63 3.23 0.00 0.59 0.00 -1.26 -3.99 121.76 116.69 2kom s ALA 507 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2kom s ALA 507 Cb 0.05 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2kom s ALA 507 CO -0.10 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2kom n GLY 508 N -1.61 0.64 3.80 0.00 0.00 0.29 -5.01 105.19 103.30 2kom n GLY 508 Ca 0.04 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 2kom n GLY 508 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kom s ASP 509 N -2.49 4.99 -0.22 1.61 -1.08 -1.25 -4.91 116.67 113.31 2kom s ASP 509 Ca 0.00 -0.65 -0.06 0.00 -0.52 0.00 0.00 52.55 51.32 2kom s ASP 509 Cb 0.00 -0.83 -0.03 0.00 -1.46 0.00 0.00 42.92 40.61 2kom s ASP 509 CO 0.00 -0.36 0.03 -0.60 0.52 0.00 0.00 175.17 174.76 2kom s ARG 510 N -3.94 3.62 -0.23 4.34 3.52 -1.19 -0.05 118.95 125.02 2kom s ARG 510 Ca 0.40 -0.51 -0.23 0.00 -0.13 0.00 0.00 55.73 55.26 2kom s ARG 510 Cb -0.04 -3.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.15 2kom s ARG 510 CO 0.25 -0.09 0.77 -1.17 -0.81 0.00 0.00 175.30 174.25 2kom s LEU 511 N 1.30 4.09 -0.25 -0.88 1.98 -0.26 -0.61 118.68 124.04 2kom s LEU 511 Ca 0.04 0.96 -0.06 0.00 -2.89 0.00 0.00 54.13 52.19 2kom s LEU 511 Cb -0.15 -3.09 -0.16 0.00 0.66 0.00 0.00 46.19 43.45 2kom s LEU 511 CO 0.02 -0.45 -0.18 -0.38 -1.89 0.00 0.00 176.35 173.46 2kom n ILE 512 N 5.15 1.54 -3.60 6.68 2.08 0.78 -4.22 119.36 127.76 2kom n ILE 512 Ca 0.03 -0.49 -0.16 0.00 0.56 0.00 0.00 62.75 62.70 2kom n ILE 512 Cb 0.48 -1.64 -0.07 0.00 -0.75 0.00 0.00 39.64 37.66 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 -2.51 0.90 -0.07 0.38 -1.05 -1.15 -1.59 118.70 113.61 2kom s GLU 513 Ca -0.35 0.27 0.02 0.00 -0.15 0.00 0.00 54.97 54.76 2kom s GLU 513 Cb 0.11 0.42 0.02 0.00 -0.44 0.00 0.00 34.13 34.23 2kom s GLU 513 CO 0.58 -0.25 -0.11 0.54 0.95 0.00 0.00 175.26 176.98 2kom s VAL 514 N -0.93 1.04 -2.03 1.83 0.11 -0.62 -0.36 120.40 119.44 2kom s VAL 514 Ca -0.09 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 2kom s VAL 514 Cb -0.02 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2kom s VAL 514 CO 0.07 0.34 0.00 0.59 -3.33 0.00 0.00 175.10 172.77 2kom n ASN 515 N 4.01 -5.20 0.00 3.54 3.02 0.12 -0.95 115.26 119.79 2kom n ASN 515 Ca -0.22 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2kom n ASN 515 Cb 0.51 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 2kom n ASN 515 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kom n GLY 516 N -0.44 0.36 3.75 7.41 0.00 -1.26 -5.01 105.19 110.00 2kom n GLY 516 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.11 5.24 0.35 1.61 1.01 -0.13 -5.05 120.40 121.32 2kom s VAL 517 Ca 0.00 0.67 -0.26 0.00 0.00 0.00 0.00 61.98 62.40 2kom s VAL 517 Cb 0.00 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 2kom s VAL 517 CO 0.00 0.42 1.01 -1.81 0.00 0.00 0.00 175.10 174.72 2kom s ASP 518 N 0.15 7.10 -0.24 3.32 1.01 -1.26 -1.59 116.67 125.15 2kom s ASP 518 Ca 0.20 1.98 -0.14 0.00 0.71 0.00 0.00 52.55 55.30 2kom s ASP 518 Cb -0.14 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.10 2kom s ASP 518 CO 0.07 -0.25 -0.33 0.18 0.21 0.00 0.00 175.17 175.05 2kom n LEU 519 N 0.40 1.84 -4.55 1.23 4.77 -0.62 -4.66 117.00 115.41 2kom n LEU 519 Ca 0.03 0.32 -0.35 0.00 -0.03 0.00 0.00 56.01 55.97 2kom n LEU 519 Cb 0.49 -0.75 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 2kom n LEU 519 CO 0.46 0.33 1.55 0.68 -1.33 0.00 0.00 177.39 179.08 2kom s VAL 520 N -2.57 3.36 0.00 4.08 -7.23 -1.26 -0.47 120.40 116.32 2kom s VAL 520 Ca -0.34 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 2kom s VAL 520 Cb 0.11 -3.92 0.00 0.00 0.56 0.00 0.00 36.38 33.13 2kom s VAL 520 CO 0.44 -0.89 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 2kom n GLY 521 N 5.99 1.47 3.88 2.32 0.00 -1.05 -4.50 105.19 113.31 2kom n GLY 521 Ca 0.26 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 2.35 0.40 1.61 -2.85 0.38 -4.79 119.74 116.83 2kom s LYS 522 Ca 0.00 -1.81 -0.03 0.00 -1.00 0.00 0.00 55.97 53.13 2kom s LYS 522 Cb 0.00 -2.21 -0.04 0.00 -2.06 0.00 0.00 37.83 33.52 2kom s LYS 522 CO 0.00 -0.42 0.65 -1.12 0.10 0.00 0.00 175.35 174.56 2kom s SER 523 N -4.20 6.31 0.17 0.03 0.01 -1.26 -4.84 113.70 109.91 2kom s SER 523 Ca 0.41 0.70 -0.14 0.00 1.31 0.00 0.00 55.95 58.23 2kom s SER 523 Cb -0.02 -2.14 0.11 0.00 0.21 0.00 0.00 66.02 64.18 2kom s SER 523 CO 0.25 -0.40 1.77 -0.61 0.41 0.00 0.00 173.24 174.66 2kom h GLN 524 N 0.67 0.40 -0.29 12.44 4.15 -1.96 -1.68 115.11 128.85 2kom h GLN 524 Ca -0.48 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 58.95 2kom h GLN 524 Cb 1.21 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 2kom h GLN 524 CO 0.62 0.26 0.20 0.93 -1.93 0.00 0.00 178.83 178.91 2kom h GLU 525 N 0.41 0.24 -0.52 1.69 5.08 -1.99 0.21 114.58 119.70 2kom h GLU 525 Ca 0.20 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2kom h GLU 525 Cb 0.15 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2kom h GLU 525 CO -0.17 0.16 0.02 0.93 -1.00 0.00 0.00 179.01 178.96 2kom h GLU 526 N 0.25 0.91 -0.27 2.33 5.08 -1.71 -2.40 114.58 118.78 2kom h GLU 526 Ca 0.12 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 2kom h GLU 526 Cb 0.17 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2kom h GLU 526 CO -0.02 0.92 -0.50 0.28 -1.00 0.00 0.00 179.01 178.69 2kom h VAL 527 N 0.78 1.29 -0.53 3.13 2.07 -0.54 -1.75 116.25 120.71 2kom h VAL 527 Ca 0.15 -1.70 -0.06 0.00 0.82 0.00 0.00 66.70 65.91 2kom h VAL 527 Cb 0.50 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2kom h VAL 527 CO 0.02 0.55 0.08 -0.37 0.02 0.00 0.00 177.57 177.87 2kom h VAL 528 N 0.58 1.25 -0.50 2.57 -1.51 -0.65 0.12 116.25 118.11 2kom h VAL 528 Ca 0.03 -0.96 -0.03 0.00 -1.23 0.00 0.00 66.70 64.50 2kom h VAL 528 Cb 1.07 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 2kom h VAL 528 CO 0.10 0.35 0.20 0.28 -1.23 0.00 0.00 177.57 177.27 2kom h SER 529 N 0.77 0.66 -0.20 4.19 0.02 -1.32 0.26 113.55 117.93 2kom h SER 529 Ca 0.16 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 2kom h SER 529 Cb 0.41 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2kom h SER 529 CO 0.01 0.60 -0.22 0.25 -1.14 0.00 0.00 176.83 176.33 2kom h LEU 530 N 0.72 0.66 0.00 5.07 5.85 -0.74 -2.99 115.31 123.88 2kom h LEU 530 Ca 0.17 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2kom h LEU 530 Cb 0.15 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2kom h LEU 530 CO -0.02 0.87 -0.16 0.25 -0.34 0.00 0.00 178.44 179.05 2kom h LEU 531 N 0.57 0.13 -1.40 2.25 5.85 0.45 -3.32 115.31 119.84 2kom h LEU 531 Ca 0.08 -0.81 0.13 0.00 0.84 0.00 0.00 57.88 58.13 2kom h LEU 531 Cb 0.69 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 2kom h LEU 531 CO 0.05 0.92 0.53 0.03 -0.34 0.00 0.00 178.44 179.64 2kom h ARG 532 N -0.65 0.59 -0.52 1.25 3.08 -0.56 -1.17 114.38 116.40 2kom h ARG 532 Ca -0.02 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 2kom h ARG 532 Cb 0.95 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 2kom h ARG 532 CO 0.03 0.39 -0.02 1.03 -1.07 0.00 0.00 179.97 180.33 2kom h SER 533 N 0.61 0.93 -3.52 7.04 0.87 -1.64 -3.50 113.55 114.34 2kom h SER 533 Ca 0.40 -0.32 0.30 0.00 -1.23 0.00 0.00 61.79 60.94 2kom h SER 533 Cb 0.69 -0.25 -0.10 0.00 -0.44 0.00 0.00 62.40 62.30 2kom h SER 533 CO -0.16 1.02 -0.59 0.41 -0.53 0.00 0.00 176.83 176.98 2kom n THR 534 N -4.27 0.00 -2.63 2.23 -1.04 -0.45 -4.87 114.28 103.26 2kom n THR 534 Ca 0.01 0.23 -0.22 0.00 -2.04 0.00 0.00 64.05 62.03 2kom n THR 534 Cb 0.34 -0.62 0.04 0.00 -1.82 0.00 0.00 70.33 68.27 2kom n THR 534 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2kom s LYS 535 N -2.58 2.61 0.42 -2.82 1.02 -1.26 -4.97 119.74 112.15 2kom s LYS 535 Ca 0.00 -0.62 0.23 0.00 0.02 0.00 0.00 55.97 55.60 2kom s LYS 535 Cb 0.00 -2.45 0.67 0.00 -0.52 0.00 0.00 37.83 35.54 2kom s LYS 535 CO 0.00 -0.71 1.72 0.52 -0.92 0.00 0.00 175.35 175.96 2kom h MET 536 N 0.02 0.00 0.28 1.68 2.86 -1.94 -3.11 114.93 114.72 2kom h MET 536 Ca -0.43 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 2kom h MET 536 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 2kom h MET 536 CO 0.55 0.22 -0.13 1.49 1.06 0.00 0.00 176.91 180.10 2kom h GLU 537 N 0.00 -0.36 0.00 1.72 4.22 -2.00 -3.49 114.58 114.67 2kom h GLU 537 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2kom h GLU 537 Cb 0.91 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2kom h GLU 537 CO 0.03 -0.24 0.00 0.41 -2.18 0.00 0.00 179.01 177.03 2kom n GLY 538 N 0.34 1.11 3.80 1.92 0.00 -1.18 -5.02 105.19 106.16 2kom n GLY 538 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.19 5.16 -0.09 2.61 2.01 -1.26 -1.11 115.64 122.76 2kom s THR 539 Ca 0.00 0.74 0.00 0.00 0.31 0.00 0.00 61.69 62.75 2kom s THR 539 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2kom s THR 539 CO 0.00 0.50 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.65 2kom s VAL 540 N -0.46 3.49 -0.28 3.82 1.01 0.19 -4.60 120.40 123.56 2kom s VAL 540 Ca 0.22 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 2kom s VAL 540 Cb -0.15 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2kom s VAL 540 CO 0.10 0.56 0.25 -0.55 0.00 0.00 0.00 175.10 175.46 2kom s SER 541 N -0.37 6.09 -0.19 3.32 0.15 -1.26 -0.52 113.70 120.93 2kom s SER 541 Ca 0.05 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.71 2kom s SER 541 Cb -0.12 -2.15 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 2kom s SER 541 CO 0.02 -0.11 -0.09 -0.76 1.20 0.00 0.00 173.24 173.51 2kom s LEU 542 N 1.85 2.75 -0.26 3.45 2.01 0.24 0.13 118.68 128.86 2kom s LEU 542 Ca 0.09 -0.40 -0.08 0.00 0.01 0.00 0.00 54.13 53.75 2kom s LEU 542 Cb -0.16 -1.67 -0.03 0.00 0.01 0.00 0.00 46.19 44.34 2kom s LEU 542 CO 0.11 0.04 0.10 -0.22 1.01 0.00 0.00 176.35 177.38 2kom s LEU 543 N 1.10 3.56 0.29 1.79 1.98 0.51 0.24 118.68 128.15 2kom s LEU 543 Ca 0.01 -0.16 0.10 0.00 -2.89 0.00 0.00 54.13 51.18 2kom s LEU 543 Cb -0.15 -1.96 -0.05 0.00 0.66 0.00 0.00 46.19 44.69 2kom s LEU 543 CO -0.02 -0.04 -0.03 0.68 -1.89 0.00 0.00 176.35 175.06 2kom s VAL 544 N 1.64 3.02 -0.15 1.68 -7.23 0.18 -0.16 120.40 119.39 2kom s VAL 544 Ca 0.06 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.22 2kom s VAL 544 Cb -0.15 -2.74 0.04 0.00 0.56 0.00 0.00 36.38 34.09 2kom s VAL 544 CO 0.05 -0.32 -0.05 0.12 -0.31 0.00 0.00 175.10 174.59 2kom s PHE 545 N -2.42 1.57 -0.02 2.82 5.36 0.22 -0.42 117.98 125.08 2kom s PHE 545 Ca 0.32 -0.95 0.04 0.00 -0.96 0.00 0.00 56.93 55.39 2kom s PHE 545 Cb -0.04 -1.26 -0.00 0.00 -0.34 0.00 0.00 43.02 41.37 2kom s PHE 545 CO 0.19 -0.58 -0.13 1.03 -1.46 0.00 0.00 175.22 174.27 2kom s ARG 546 N 1.68 1.26 0.02 10.12 0.52 0.26 -3.16 118.95 129.65 2kom s ARG 546 Ca 0.02 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 2kom s ARG 546 Cb -0.15 -1.17 -0.01 0.00 0.52 0.00 0.00 34.95 34.14 2kom s ARG 546 CO -0.08 0.23 -0.10 1.14 0.02 0.00 0.00 175.30 176.51 2kom s GLN 547 N -0.07 0.76 -0.93 3.54 -2.07 -1.26 0.22 119.66 119.84 2kom s GLN 547 Ca 0.00 -0.53 -0.24 0.00 -1.82 0.00 0.00 55.36 52.77 2kom s GLN 547 Cb -0.08 -0.72 0.03 0.00 -1.09 0.00 0.00 33.01 31.15 2kom s GLN 547 CO 0.00 0.18 1.49 -1.21 -1.32 0.00 0.00 175.29 174.44 2kom s GLU 548 N -0.73 3.35 0.00 9.60 2.02 -1.26 -5.02 118.70 126.67 2kom s GLU 548 Ca 0.01 -0.78 0.09 0.00 0.02 0.00 0.00 54.97 54.31 2kom s GLU 548 Cb -0.06 -5.04 0.07 0.00 0.10 0.00 0.00 34.13 29.20 2kom s GLU 548 CO 0.00 -2.35 0.79 -3.47 0.02 0.00 0.00 175.26 170.25