#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kom n SER 450 N 0.00 -6.72 -0.08 1.61 7.64 -1.26 -5.00 113.62 109.82 2kom n SER 450 Ca 0.00 0.88 -0.13 0.00 1.01 0.00 0.00 58.87 60.64 2kom n SER 450 Cb 0.00 -4.43 -0.09 0.00 -1.01 0.00 0.00 64.21 58.68 2kom n SER 450 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2kom h TYR 451 N 2.11 0.00 -1.16 1.43 0.05 -2.11 -3.48 116.97 113.81 2kom h TYR 451 Ca 0.00 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.43 2kom h TYR 451 Cb 0.27 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.90 2kom h TYR 451 CO 0.03 0.85 -0.34 0.09 -1.05 0.00 0.00 178.16 177.74 2kom n ASN 452 N -4.59 -5.05 -0.17 3.88 4.13 -1.26 -4.87 115.26 107.33 2kom n ASN 452 Ca -0.14 0.33 -0.08 0.00 1.68 0.00 0.00 54.58 56.36 2kom n ASN 452 Cb 0.43 -4.07 0.06 0.00 -1.54 0.00 0.00 39.78 34.66 2kom n ASN 452 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2kom h THR 453 N 0.00 1.26 -2.45 3.41 1.35 -2.04 -3.35 112.91 111.09 2kom h THR 453 Ca -0.36 -1.20 -0.65 0.00 -0.55 0.00 0.00 66.41 63.66 2kom h THR 453 Cb 1.15 0.92 -0.15 0.00 -1.73 0.00 0.00 68.15 68.34 2kom h THR 453 CO 0.50 0.42 0.72 -0.54 -0.25 0.00 0.00 175.52 176.38 2kom s LYS 454 N -4.90 3.32 0.13 4.72 1.02 -1.26 -4.97 119.74 117.79 2kom s LYS 454 Ca -0.11 -1.17 0.04 0.00 0.02 0.00 0.00 55.97 54.75 2kom s LYS 454 Cb 0.14 -4.55 -0.04 0.00 -0.52 0.00 0.00 37.83 32.85 2kom s LYS 454 CO 0.85 -1.83 -0.10 -1.59 -0.92 0.00 0.00 175.35 171.75 2kom s LYS 455 N 3.66 0.97 -1.25 1.68 -2.85 -1.26 -5.06 119.74 115.65 2kom s LYS 455 Ca 0.28 -1.34 -0.20 0.00 -1.00 0.00 0.00 55.97 53.71 2kom s LYS 455 Cb -0.11 -0.58 0.03 0.00 -2.06 0.00 0.00 37.83 35.11 2kom s LYS 455 CO 0.02 0.08 1.76 -1.50 0.10 0.00 0.00 175.35 175.81 2kom s ILE 456 N -3.00 3.97 0.00 3.79 2.07 -1.26 -4.63 121.20 122.13 2kom s ILE 456 Ca 0.12 -1.58 0.00 0.00 -1.41 0.00 0.00 60.65 57.78 2kom s ILE 456 Cb 0.01 -5.03 0.00 0.00 0.13 0.00 0.00 42.46 37.57 2kom s ILE 456 CO 0.00 -1.77 0.00 0.61 -1.91 0.00 0.00 174.94 171.87 2kom n GLY 457 N 5.63 1.69 3.87 1.50 0.00 -1.26 -5.03 105.19 111.60 2kom n GLY 457 Ca 0.47 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.99 3.12 -0.14 1.61 1.02 0.84 -4.92 119.74 116.28 2kom s LYS 458 Ca 0.00 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 2kom s LYS 458 Cb 0.00 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 2kom s LYS 458 CO 0.00 0.45 -0.09 1.03 -0.92 0.00 0.00 175.35 175.82 2kom s ARG 459 N -3.53 3.50 -0.11 1.68 0.52 -1.26 -0.92 118.95 118.84 2kom s ARG 459 Ca 0.33 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 2kom s ARG 459 Cb -0.09 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.61 2kom s ARG 459 CO 0.26 0.21 -0.17 -0.51 0.02 0.00 0.00 175.30 175.11 2kom s LEU 460 N 0.39 2.49 -0.34 2.53 2.01 0.12 -4.92 118.68 120.97 2kom s LEU 460 Ca -0.08 -0.39 -0.16 0.00 0.01 0.00 0.00 54.13 53.51 2kom s LEU 460 Cb -0.15 -1.53 -0.01 0.00 0.01 0.00 0.00 46.19 44.51 2kom s LEU 460 CO 0.04 0.19 0.42 0.54 1.01 0.00 0.00 176.35 178.55 2kom s ASN 461 N 0.16 6.23 -0.15 2.29 2.20 -1.26 -0.76 114.94 123.65 2kom s ASN 461 Ca -0.10 -0.14 0.02 0.00 -0.94 0.00 0.00 52.86 51.70 2kom s ASN 461 Cb -0.16 -2.22 0.01 0.00 -2.00 0.00 0.00 41.25 36.88 2kom s ASN 461 CO 0.06 -0.38 -0.20 -0.63 -2.94 0.00 0.00 177.10 173.00 2kom s ILE 462 N 2.15 2.16 -0.18 0.54 1.01 0.18 -4.94 121.20 122.12 2kom s ILE 462 Ca 0.14 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 2kom s ILE 462 Cb -0.16 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 2kom s ILE 462 CO 0.12 0.54 0.09 -1.10 0.00 0.00 0.00 174.94 174.59 2kom s GLN 463 N 0.93 4.01 -0.05 2.79 -0.21 -1.26 0.97 119.66 126.84 2kom s GLN 463 Ca -0.04 -0.29 0.04 0.00 0.02 0.00 0.00 55.36 55.09 2kom s GLN 463 Cb -0.15 -3.27 -0.02 0.00 1.00 0.00 0.00 33.01 30.56 2kom s GLN 463 CO -0.04 0.31 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.77 2kom s LEU 464 N 0.28 2.63 -0.07 2.90 2.01 0.21 -4.89 118.68 121.75 2kom s LEU 464 Ca 0.05 -0.24 -0.19 0.00 0.01 0.00 0.00 54.13 53.76 2kom s LEU 464 Cb -0.12 -1.52 -0.05 0.00 0.01 0.00 0.00 46.19 44.51 2kom s LEU 464 CO -0.00 0.33 0.51 -0.75 1.01 0.00 0.00 176.35 177.45 2kom s LYS 465 N -0.66 4.28 -0.51 1.70 2.20 -1.26 -0.54 119.74 124.95 2kom s LYS 465 Ca 0.10 0.54 -0.28 0.00 -0.36 0.00 0.00 55.97 55.97 2kom s LYS 465 Cb -0.11 -3.38 -0.00 0.00 -1.51 0.00 0.00 37.83 32.83 2kom s LYS 465 CO 0.01 0.28 1.60 0.21 -0.36 0.00 0.00 175.35 177.09 2kom s LYS 466 N 0.18 3.16 -0.07 4.03 2.20 -0.13 -4.27 119.74 124.85 2kom s LYS 466 Ca 0.27 0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 56.57 2kom s LYS 466 Cb -0.16 -4.20 0.02 0.00 -1.51 0.00 0.00 37.83 31.98 2kom s LYS 466 CO 0.13 -2.09 0.17 0.20 -0.36 0.00 0.00 175.35 173.40 2kom s GLY 467 N 5.64 -0.11 0.00 5.54 0.00 -1.26 -4.83 107.32 112.30 2kom s GLY 467 Ca 0.62 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.89 2kom s GLY 467 CO 0.26 0.58 0.00 2.41 0.00 0.00 0.00 173.10 176.35 2kom n THR 468 N 3.32 0.00 0.77 0.90 -1.04 -1.26 -1.07 114.28 115.89 2kom n THR 468 Ca -0.16 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 61.94 2kom n THR 468 Cb 0.57 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.97 2kom n THR 468 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kom n GLU 469 N 0.00 0.77 0.00 -2.82 -0.58 -1.24 -5.04 120.64 111.72 2kom n GLU 469 Ca 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2kom n GLU 469 Cb 0.00 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kom n GLY 470 N 1.44 1.40 3.53 0.62 0.00 -0.24 -4.66 105.19 107.29 2kom n GLY 470 Ca 0.03 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 1.11 -3.53 0.99 4.77 -1.26 0.17 117.00 119.24 2kom n LEU 471 Ca 0.00 -0.63 -0.39 0.00 -0.03 0.00 0.00 56.01 54.96 2kom n LEU 471 Cb 0.00 -1.29 0.01 0.00 -2.33 0.00 0.00 43.42 39.82 2kom n LEU 471 CO 0.00 -1.65 1.29 0.61 -1.33 0.00 0.00 177.39 176.30 2kom n GLY 472 N 6.25 6.07 3.18 -0.72 0.00 -1.26 -4.79 105.19 113.91 2kom n GLY 472 Ca 0.51 -2.60 -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 -4.23 -0.26 0.01 1.61 -0.71 -1.26 -0.16 117.98 112.99 2kom s PHE 473 Ca 0.41 0.61 0.06 0.00 -1.04 0.00 0.00 56.93 56.97 2kom s PHE 473 Cb 0.21 0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 2kom s PHE 473 CO -0.14 -0.20 -0.16 -1.12 -1.34 0.00 0.00 175.22 172.26 2kom s SER 474 N -0.23 3.96 0.20 1.98 0.01 0.37 -4.95 113.70 115.05 2kom s SER 474 Ca -0.04 -0.33 0.07 0.00 1.31 0.00 0.00 55.95 56.96 2kom s SER 474 Cb -0.03 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 2kom s SER 474 CO 0.01 0.28 0.05 0.27 0.41 0.00 0.00 173.24 174.26 2kom s ILE 475 N -0.89 3.88 0.00 1.44 -4.36 -1.26 0.71 121.20 120.72 2kom s ILE 475 Ca 0.14 -1.47 0.01 0.00 -0.26 0.00 0.00 60.65 59.07 2kom s ILE 475 Cb -0.11 -3.00 -0.01 0.00 1.25 0.00 0.00 42.46 40.59 2kom s ILE 475 CO 0.05 -0.20 -0.05 0.28 0.24 0.00 0.00 174.94 175.26 2kom s THR 476 N -1.92 0.36 -0.12 8.37 -1.32 0.15 -4.72 115.64 116.45 2kom s THR 476 Ca 0.30 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 2kom s THR 476 Cb -0.09 -0.33 -0.01 0.00 -1.51 0.00 0.00 72.50 70.56 2kom s THR 476 CO 0.20 0.04 -0.14 -0.94 -2.21 0.00 0.00 174.62 171.57 2kom s SER 477 N -0.28 3.96 0.00 8.08 1.04 -1.26 -0.11 113.70 125.12 2kom s SER 477 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2kom s SER 477 Cb -0.03 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.55 2kom s SER 477 CO -0.00 0.18 0.00 -2.11 0.98 0.00 0.00 173.24 172.29 2kom n ARG 478 N 3.44 1.03 0.00 4.02 -4.01 -1.26 -4.85 116.66 115.03 2kom n ARG 478 Ca -0.18 0.00 0.15 0.00 -1.04 0.00 0.00 57.85 56.78 2kom n ARG 478 Cb 0.53 -0.09 0.72 0.00 -3.04 0.00 0.00 32.46 30.59 2kom n ARG 478 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2kom n ASP 479 N 0.00 0.15 -4.59 2.89 2.03 -1.26 -4.65 116.55 111.12 2kom n ASP 479 Ca 0.00 -0.34 -0.42 0.00 0.52 0.00 0.00 54.79 54.55 2kom n ASP 479 Cb 0.00 -0.20 -0.02 0.00 -0.72 0.00 0.00 41.12 40.18 2kom n ASP 479 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kom s VAL 480 N -2.50 3.83 -1.16 5.18 0.11 -1.26 -4.81 120.40 119.78 2kom s VAL 480 Ca 0.30 0.79 0.10 0.00 -2.93 0.00 0.00 61.98 60.25 2kom s VAL 480 Cb 0.20 -4.24 0.14 0.00 -1.53 0.00 0.00 36.38 30.95 2kom s VAL 480 CO 0.46 -0.88 0.95 1.07 -3.33 0.00 0.00 175.10 173.37 2kom n THR 481 N 7.04 0.30 0.00 5.04 5.66 -1.26 -4.80 114.28 126.26 2kom n THR 481 Ca 0.16 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2kom n THR 481 Cb 0.48 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.26 2kom n THR 481 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kom n ILE 482 N 0.54 0.00 0.00 1.09 3.06 -1.26 -5.17 119.36 117.61 2kom n ILE 482 Ca 0.07 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.32 2kom n ILE 482 Cb 0.31 -0.11 0.00 0.00 0.54 0.00 0.00 39.64 40.38 2kom n ILE 482 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2kom n GLY 483 N -0.51 4.30 3.70 4.50 0.00 -1.26 -5.02 105.19 110.89 2kom n GLY 483 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.89 1.88 3.49 -0.02 0.00 -1.26 -4.74 105.19 102.65 2kom n GLY 484 Ca 0.00 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 6.85 -0.35 1.61 0.01 -1.26 -3.16 113.70 117.40 2kom s SER 485 Ca 0.00 -2.48 0.03 0.00 1.31 0.00 0.00 55.95 54.81 2kom s SER 485 Cb 0.00 -2.44 0.10 0.00 0.21 0.00 0.00 66.02 63.89 2kom s SER 485 CO 0.00 -0.98 0.08 0.00 0.41 0.00 0.00 173.24 172.75 2kom s ALA 486 N 2.65 2.65 0.16 1.44 0.00 -1.26 -4.13 121.76 123.27 2kom s ALA 486 Ca 0.42 -2.44 -0.30 0.00 0.00 0.00 0.00 51.96 49.64 2kom s ALA 486 Cb -0.02 -1.92 -0.07 0.00 0.00 0.00 0.00 23.12 21.11 2kom s ALA 486 CO -0.03 -1.73 1.13 -2.14 0.00 0.00 0.00 175.76 173.00 2kom s PRO 487 N 0.91 4.55 -0.02 0.00 0.02 -1.26 -4.23 135.00 134.97 2kom s PRO 487 Ca 0.12 1.75 -0.03 0.00 0.02 0.00 0.00 61.00 62.86 2kom s PRO 487 Cb -0.19 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.01 2kom s PRO 487 CO -0.10 0.00 0.15 0.42 -0.33 0.00 0.00 177.00 177.14 2kom s ILE 488 N -0.04 5.23 0.07 2.83 -1.09 -1.25 -4.09 121.20 122.87 2kom s ILE 488 Ca 0.51 -0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.80 2kom s ILE 488 Cb -0.30 -3.41 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2kom s ILE 488 CO 0.34 0.38 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.97 2kom s TYR 489 N -1.24 1.25 -0.24 3.97 2.02 0.84 0.27 117.35 124.21 2kom s TYR 489 Ca 0.24 -0.45 -0.28 0.00 -0.37 0.00 0.00 57.07 56.22 2kom s TYR 489 Cb -0.12 -0.71 0.01 0.00 -0.40 0.00 0.00 41.96 40.74 2kom s TYR 489 CO 0.15 0.07 0.98 0.08 -1.57 0.00 0.00 175.55 175.26 2kom s VAL 490 N -1.23 4.71 -0.20 0.71 1.01 0.57 0.33 120.40 126.30 2kom s VAL 490 Ca -0.01 1.85 -0.18 0.00 0.00 0.00 0.00 61.98 63.64 2kom s VAL 490 Cb -0.10 -4.26 -0.15 0.00 0.00 0.00 0.00 36.38 31.87 2kom s VAL 490 CO 0.02 -0.18 0.09 1.17 0.00 0.00 0.00 175.10 176.20 2kom n LYS 491 N 6.29 0.54 -4.18 2.72 3.00 0.22 -0.27 118.16 126.47 2kom n LYS 491 Ca 0.10 0.55 -0.19 0.00 -0.00 0.00 0.00 58.31 58.77 2kom n LYS 491 Cb 0.47 -1.72 -0.12 0.00 0.00 0.00 0.00 35.03 33.65 2kom n LYS 491 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2kom s ASN 492 N -6.60 1.76 -0.30 3.14 2.47 -1.01 -4.64 114.94 109.76 2kom s ASN 492 Ca -0.26 -0.63 0.03 0.00 0.42 0.00 0.00 52.86 52.42 2kom s ASN 492 Cb 0.05 -0.06 0.08 0.00 -1.45 0.00 0.00 41.25 39.88 2kom s ASN 492 CO 0.50 -0.07 -0.02 -0.63 -3.72 0.00 0.00 177.10 173.15 2kom s ILE 493 N -1.31 2.08 0.24 -5.21 -1.09 -1.26 -0.48 121.20 114.17 2kom s ILE 493 Ca -0.01 -1.90 -0.30 0.00 -2.23 0.00 0.00 60.65 56.21 2kom s ILE 493 Cb -0.10 -2.38 -0.10 0.00 -1.58 0.00 0.00 42.46 38.30 2kom s ILE 493 CO 0.02 -0.33 1.49 -0.76 -1.23 0.00 0.00 174.94 174.13 2kom s LEU 494 N 1.07 4.38 0.00 2.97 1.02 0.78 -4.90 118.68 123.99 2kom s LEU 494 Ca 0.01 2.69 0.00 0.00 0.02 0.00 0.00 54.13 56.86 2kom s LEU 494 Cb -0.19 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.40 2kom s LEU 494 CO -0.08 -0.76 0.51 -0.81 0.02 0.00 0.00 176.35 175.24 2kom n PRO 495 N 2.66 0.64 0.00 1.29 -0.04 -1.26 -2.81 135.00 135.48 2kom n PRO 495 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2kom n PRO 495 Cb 0.39 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.22 0.00 -0.17 0.54 1.85 -1.26 -4.94 116.66 112.46 2kom n ARG 496 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2kom n ARG 496 Cb 0.07 -0.08 0.00 0.00 -1.05 0.00 0.00 32.46 31.39 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 0.70 0.34 2.89 0.00 -1.12 -3.69 105.19 104.30 2kom n GLY 497 Ca 0.00 -1.88 0.04 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.19 1.34 -1.01 4.61 0.00 0.16 -2.42 119.26 120.75 2kom h ALA 498 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2kom h ALA 498 Cb 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 2kom h ALA 498 CO 0.00 0.26 0.65 0.00 0.00 0.00 0.00 179.25 180.17 2kom h ALA 499 N 1.47 1.41 0.00 0.00 0.00 -1.79 -0.60 119.26 119.75 2kom h ALA 499 Ca 0.43 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.12 2kom h ALA 499 Cb 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2kom h ALA 499 CO -0.22 0.43 -0.99 0.97 0.00 0.00 0.00 179.25 179.44 2kom h ILE 500 N 1.17 1.61 -0.47 0.00 2.10 -1.64 0.41 117.51 120.69 2kom h ILE 500 Ca 0.44 -3.29 0.03 0.00 1.08 0.00 0.00 64.86 63.11 2kom h ILE 500 Cb 0.19 2.79 -0.03 0.00 -1.09 0.00 0.00 36.82 38.68 2kom h ILE 500 CO -0.18 0.92 0.27 1.56 -1.08 0.00 0.00 178.15 179.64 2kom h GLN 501 N 0.00 0.52 0.07 2.19 1.08 -0.72 -3.04 115.11 115.22 2kom h GLN 501 Ca -0.02 -0.03 -0.36 0.00 -1.45 0.00 0.00 58.65 56.78 2kom h GLN 501 Cb 1.75 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 29.02 2kom h GLN 501 CO 0.12 0.35 -2.12 -0.25 -0.95 0.00 0.00 178.83 175.98 2kom n ASP 502 N -4.84 1.82 -0.47 1.46 9.92 -0.86 -4.98 116.55 118.60 2kom n ASP 502 Ca 0.03 0.13 -0.06 0.00 -0.53 0.00 0.00 54.79 54.35 2kom n ASP 502 Cb 0.08 -0.54 -0.03 0.00 -0.64 0.00 0.00 41.12 39.99 2kom n ASP 502 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kom n GLY 503 N 2.00 0.83 0.09 0.44 0.00 0.14 -4.89 105.19 103.81 2kom n GLY 503 Ca -0.34 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.35 0.55 -4.12 1.61 3.00 -1.25 -4.89 116.66 109.21 2kom n ARG 504 Ca -0.06 0.07 -0.30 0.00 -0.00 0.00 0.00 57.85 57.56 2kom n ARG 504 Cb 0.26 -1.76 -0.08 0.00 0.00 0.00 0.00 32.46 30.89 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 -5.01 3.50 0.22 6.15 2.96 -1.26 -5.06 118.68 120.17 2kom s LEU 505 Ca -0.00 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 2kom s LEU 505 Cb 0.11 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 2kom s LEU 505 CO 0.80 0.16 0.25 -1.59 -1.32 0.00 0.00 176.35 174.65 2kom s LYS 506 N -2.39 1.33 0.26 1.98 0.00 -1.26 -4.86 119.74 114.80 2kom s LYS 506 Ca 0.26 -1.51 -0.11 0.00 0.00 0.00 0.00 55.97 54.61 2kom s LYS 506 Cb -0.12 0.34 -0.08 0.00 0.00 0.00 0.00 37.83 37.98 2kom s LYS 506 CO 0.19 -0.48 0.61 0.00 0.00 0.00 0.00 175.35 175.66 2kom s ALA 507 N -4.09 3.49 0.00 0.59 0.00 -1.26 -4.11 121.76 116.38 2kom s ALA 507 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2kom s ALA 507 Cb 0.04 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2kom s ALA 507 CO 0.11 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.73 2kom n GLY 508 N -0.24 1.37 3.77 0.00 0.00 0.63 -5.00 105.19 105.71 2kom n GLY 508 Ca 0.01 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.32 5.96 -0.08 1.61 1.11 -1.26 -4.66 116.67 119.03 2kom s ASP 509 Ca 0.00 2.35 -0.24 0.00 0.18 0.00 0.00 52.55 54.84 2kom s ASP 509 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.35 2kom s ASP 509 CO 0.00 -1.07 0.75 -0.60 1.18 0.00 0.00 175.17 175.44 2kom s ARG 510 N -2.82 4.42 -0.14 8.23 3.52 -1.15 -0.31 118.95 130.70 2kom s ARG 510 Ca 0.66 0.96 -0.20 0.00 -0.13 0.00 0.00 55.73 57.02 2kom s ARG 510 Cb -0.30 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 2kom s ARG 510 CO 0.35 -0.03 0.57 -1.17 -0.81 0.00 0.00 175.30 174.21 2kom s LEU 511 N 1.09 4.24 -0.24 -0.88 2.96 0.14 0.31 118.68 126.30 2kom s LEU 511 Ca 0.39 0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 55.16 2kom s LEU 511 Cb -0.18 -2.83 -0.18 0.00 0.50 0.00 0.00 46.19 43.50 2kom s LEU 511 CO 0.18 -0.11 -0.14 -0.38 -1.32 0.00 0.00 176.35 174.58 2kom n ILE 512 N 4.05 1.54 -3.47 6.68 2.08 0.13 -3.76 119.36 126.61 2kom n ILE 512 Ca -0.04 -0.55 -0.12 0.00 0.56 0.00 0.00 62.75 62.60 2kom n ILE 512 Cb 0.51 -1.55 -0.03 0.00 -0.75 0.00 0.00 39.64 37.82 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 -2.52 1.22 -0.04 0.38 -1.05 -1.17 -2.28 118.70 113.23 2kom s GLU 513 Ca -0.33 -0.46 0.01 0.00 -0.15 0.00 0.00 54.97 54.04 2kom s GLU 513 Cb 0.09 0.56 0.02 0.00 -0.44 0.00 0.00 34.13 34.36 2kom s GLU 513 CO 0.61 -0.51 -0.04 0.54 0.95 0.00 0.00 175.26 176.82 2kom s VAL 514 N -3.54 0.44 0.00 1.83 0.11 -0.99 -0.48 120.40 117.78 2kom s VAL 514 Ca 0.00 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 2kom s VAL 514 Cb -0.00 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 2kom s VAL 514 CO -0.11 0.20 0.00 -3.20 -3.33 0.00 0.00 175.10 168.66 2kom n ASN 515 N 3.97 0.00 0.00 3.54 2.85 0.34 -1.98 115.26 123.98 2kom n ASN 515 Ca -0.25 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 2kom n ASN 515 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 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 0.00 0.00 3.44 8.20 0.00 -1.26 -4.38 105.19 111.19 2kom n GLY 516 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 2.90 0.48 1.61 1.01 -0.84 -5.10 120.40 120.45 2kom s VAL 517 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 2kom s VAL 517 Cb 0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 2kom s VAL 517 CO 0.00 0.58 0.88 1.51 0.00 0.00 0.00 175.10 178.07 2kom s ASP 518 N -0.59 6.49 -0.20 3.32 -4.77 -1.26 -2.34 116.67 117.32 2kom s ASP 518 Ca 0.08 1.29 -0.01 0.00 -3.30 0.00 0.00 52.55 50.61 2kom s ASP 518 Cb -0.11 -2.40 -0.12 0.00 -1.09 0.00 0.00 42.92 39.20 2kom s ASP 518 CO 0.01 -0.54 -0.20 0.18 0.70 0.00 0.00 175.17 175.32 2kom n LEU 519 N -1.67 2.65 -4.56 2.11 4.77 -0.97 -4.72 117.00 114.62 2kom n LEU 519 Ca 0.04 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.68 2kom n LEU 519 Cb 0.54 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2kom n LEU 519 CO 0.49 0.75 1.40 -0.69 -1.33 0.00 0.00 177.39 178.00 2kom s VAL 520 N -2.39 3.55 0.00 4.08 1.01 -1.26 -0.63 120.40 124.76 2kom s VAL 520 Ca -0.27 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2kom s VAL 520 Cb 0.08 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2kom s VAL 520 CO 0.44 -1.19 0.00 0.61 0.00 0.00 0.00 175.10 174.96 2kom n GLY 521 N 6.68 0.06 2.98 4.51 0.00 -1.19 -4.96 105.19 113.28 2kom n GLY 521 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 2kom n GLY 521 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kom n LYS 522 N 0.00 0.62 -3.31 1.61 2.85 0.20 -4.99 118.16 115.14 2kom n LYS 522 Ca 0.00 -3.07 -0.22 0.00 -1.05 0.00 0.00 58.31 53.97 2kom n LYS 522 Cb 0.00 1.67 -0.00 0.00 -0.65 0.00 0.00 35.03 36.05 2kom n LYS 522 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2kom s SER 523 N -3.23 6.07 0.29 -5.58 0.15 -1.26 -4.84 113.70 105.29 2kom s SER 523 Ca 0.18 0.23 -0.01 0.00 0.70 0.00 0.00 55.95 57.06 2kom s SER 523 Cb 0.01 -1.68 0.46 0.00 -1.71 0.00 0.00 66.02 63.09 2kom s SER 523 CO 0.13 -0.45 1.92 -0.61 1.20 0.00 0.00 173.24 175.44 2kom h GLN 524 N 0.69 1.08 -0.14 5.44 5.75 -1.96 -1.88 115.11 124.08 2kom h GLN 524 Ca -0.48 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 57.93 2kom h GLN 524 Cb 1.24 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 2kom h GLN 524 CO 0.58 0.72 -0.01 0.93 -2.65 0.00 0.00 178.83 178.40 2kom h GLU 525 N 1.12 0.20 -0.29 1.69 5.08 -1.99 0.23 114.58 120.62 2kom h GLU 525 Ca 0.37 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.52 2kom h GLU 525 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2kom h GLU 525 CO -0.12 0.23 -0.55 0.93 -1.00 0.00 0.00 179.01 178.50 2kom h GLU 526 N 0.20 0.88 -0.40 2.33 4.39 -1.75 -2.71 114.58 117.53 2kom h GLU 526 Ca 0.05 -0.56 -0.15 0.00 0.34 0.00 0.00 59.36 59.04 2kom h GLU 526 Cb 0.16 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2kom h GLU 526 CO 0.00 1.20 -0.32 0.28 -1.16 0.00 0.00 179.01 179.01 2kom h VAL 527 N 0.67 1.27 -0.64 3.13 2.07 -0.76 -1.76 116.25 120.24 2kom h VAL 527 Ca 0.01 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 2kom h VAL 527 Cb 1.16 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 2kom h VAL 527 CO 0.12 0.50 0.30 -0.37 0.02 0.00 0.00 177.57 178.14 2kom h VAL 528 N 0.74 1.22 -0.56 2.57 -1.51 -0.62 0.15 116.25 118.24 2kom h VAL 528 Ca 0.07 -0.63 -0.02 0.00 -1.23 0.00 0.00 66.70 64.89 2kom h VAL 528 Cb 0.91 0.46 -0.03 0.00 -2.13 0.00 0.00 31.29 30.51 2kom h VAL 528 CO 0.08 0.26 0.25 -1.28 -1.23 0.00 0.00 177.57 175.65 2kom h SER 529 N 0.88 0.75 -0.46 4.19 0.87 -1.37 0.36 113.55 118.77 2kom h SER 529 Ca 0.22 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 2kom h SER 529 Cb 0.13 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 2kom h SER 529 CO -0.03 0.68 0.25 0.25 -0.53 0.00 0.00 176.83 177.46 2kom h LEU 530 N 0.76 0.39 -0.37 2.23 5.85 -0.86 -0.89 115.31 122.42 2kom h LEU 530 Ca 0.19 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2kom h LEU 530 Cb 0.15 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2kom h LEU 530 CO -0.02 0.28 0.16 0.25 -0.34 0.00 0.00 178.44 178.76 2kom h LEU 531 N 0.50 0.51 -1.05 2.25 6.46 -0.12 -2.54 115.31 121.32 2kom h LEU 531 Ca 0.19 -0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 2kom h LEU 531 Cb 0.06 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 39.80 2kom h LEU 531 CO -0.11 0.52 0.64 0.03 -0.62 0.00 0.00 178.44 178.90 2kom h ARG 532 N 0.46 1.16 -0.49 1.25 2.47 0.18 -1.97 114.38 117.44 2kom h ARG 532 Ca 0.13 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 2kom h ARG 532 Cb 0.16 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 2kom h ARG 532 CO -0.01 0.77 0.16 1.03 0.56 0.00 0.00 179.97 182.47 2kom h SER 533 N 1.19 0.71 0.00 7.04 0.87 -1.03 -3.47 113.55 118.87 2kom h SER 533 Ca 0.40 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2kom h SER 533 Cb 0.07 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2kom h SER 533 CO -0.14 0.72 0.00 0.41 -0.53 0.00 0.00 176.83 177.29 2kom n THR 534 N -4.52 0.00 0.00 2.23 -1.04 -0.74 -4.69 114.28 105.52 2kom n THR 534 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2kom n THR 534 Cb 0.19 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 2kom n THR 534 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kom n LYS 535 N 0.00 0.00 0.06 -2.82 4.81 -1.26 -4.83 118.16 114.12 2kom n LYS 535 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2kom n LYS 535 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 2kom n LYS 535 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2kom h MET 536 N 0.00 0.42 -0.05 1.64 1.85 -1.96 -3.27 114.93 113.57 2kom h MET 536 Ca 0.00 -0.41 -0.02 0.00 -0.61 0.00 0.00 59.70 58.65 2kom h MET 536 Cb 0.00 0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.14 2kom h MET 536 CO 0.00 1.07 -0.06 0.93 -0.40 0.00 0.00 176.91 178.45 2kom h GLU 537 N 0.26 0.12 0.00 0.39 5.08 -1.98 -3.48 114.58 114.97 2kom h GLU 537 Ca -0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2kom h GLU 537 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2kom h GLU 537 CO 0.15 0.59 0.00 0.41 -1.00 0.00 0.00 179.01 179.16 2kom n GLY 538 N 0.26 1.17 3.79 -3.84 0.00 -1.23 -4.95 105.19 100.38 2kom n GLY 538 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.39 5.21 -0.05 2.61 2.01 -1.26 -0.95 115.64 122.81 2kom s THR 539 Ca 0.00 0.68 0.06 0.00 0.31 0.00 0.00 61.69 62.73 2kom s THR 539 Cb 0.00 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2kom s THR 539 CO 0.00 0.48 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.50 2kom s VAL 540 N -0.30 2.34 -0.38 3.82 1.01 0.30 -4.85 120.40 122.33 2kom s VAL 540 Ca 0.20 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 2kom s VAL 540 Cb -0.15 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.38 2kom s VAL 540 CO 0.08 0.57 0.61 -0.44 0.00 0.00 0.00 175.10 175.93 2kom s SER 541 N -0.38 6.37 -0.25 3.32 0.01 -1.26 -0.62 113.70 120.89 2kom s SER 541 Ca 0.03 -0.05 -0.10 0.00 1.31 0.00 0.00 55.95 57.14 2kom s SER 541 Cb -0.12 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 2kom s SER 541 CO 0.02 -0.62 0.15 -0.76 0.41 0.00 0.00 173.24 172.43 2kom s LEU 542 N 2.66 3.93 -0.28 2.44 2.01 0.27 0.13 118.68 129.85 2kom s LEU 542 Ca 0.22 0.00 -0.08 0.00 0.01 0.00 0.00 54.13 54.28 2kom s LEU 542 Cb -0.15 -2.07 -0.02 0.00 0.01 0.00 0.00 46.19 43.96 2kom s LEU 542 CO 0.16 0.01 0.11 -0.22 1.01 0.00 0.00 176.35 177.41 2kom s LEU 543 N 1.40 3.75 0.19 1.79 2.96 0.37 0.48 118.68 129.61 2kom s LEU 543 Ca 0.07 -0.33 0.10 0.00 -0.22 0.00 0.00 54.13 53.74 2kom s LEU 543 Cb -0.15 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2kom s LEU 543 CO 0.07 -0.10 -0.13 0.68 -1.32 0.00 0.00 176.35 175.55 2kom s VAL 544 N 1.62 2.96 -0.24 1.68 -7.23 0.06 0.18 120.40 119.44 2kom s VAL 544 Ca 0.06 -1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2kom s VAL 544 Cb -0.16 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 2kom s VAL 544 CO 0.05 -0.14 -0.02 0.12 -0.31 0.00 0.00 175.10 174.80 2kom s PHE 545 N -1.76 3.01 -0.01 2.82 5.36 0.15 0.14 117.98 127.69 2kom s PHE 545 Ca 0.24 -1.04 0.03 0.00 -0.96 0.00 0.00 56.93 55.21 2kom s PHE 545 Cb -0.08 -2.12 -0.01 0.00 -0.34 0.00 0.00 43.02 40.47 2kom s PHE 545 CO 0.14 -0.58 -0.11 0.50 -1.46 0.00 0.00 175.22 173.71 2kom s ARG 546 N 1.46 0.96 -0.11 10.12 3.52 -0.10 -2.93 118.95 131.87 2kom s ARG 546 Ca 0.04 -0.40 -0.00 0.00 -0.13 0.00 0.00 55.73 55.24 2kom s ARG 546 Cb -0.15 -0.92 0.02 0.00 -1.56 0.00 0.00 34.95 32.34 2kom s ARG 546 CO -0.02 0.23 -0.08 -1.14 -0.81 0.00 0.00 175.30 173.48 2kom s GLN 547 N -0.21 1.55 -0.73 5.12 0.74 -1.26 -0.11 119.66 124.76 2kom s GLN 547 Ca 0.03 -0.27 -0.27 0.00 0.05 0.00 0.00 55.36 54.91 2kom s GLN 547 Cb -0.05 -1.59 0.01 0.00 1.10 0.00 0.00 33.01 32.48 2kom s GLN 547 CO -0.00 -0.25 1.48 -1.21 -0.55 0.00 0.00 175.29 174.76 2kom s GLU 548 N 1.66 3.03 0.00 1.67 8.01 -1.26 -5.00 118.70 126.81 2kom s GLU 548 Ca 0.04 -0.05 0.00 0.00 0.01 0.00 0.00 54.97 54.97 2kom s GLU 548 Cb -0.13 -4.35 0.00 0.00 -4.31 0.00 0.00 34.13 25.35 2kom s GLU 548 CO -0.08 -2.37 0.00 -3.47 0.01 0.00 0.00 175.26 169.36