#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 6.82 -0.18 1.61 1.04 -1.26 -5.04 113.70 116.70 2kom s SER 450 Ca 0.00 1.00 -0.00 0.00 0.48 0.00 0.00 55.95 57.43 2kom s SER 450 Cb 0.00 -2.40 0.04 0.00 0.10 0.00 0.00 66.02 63.76 2kom s SER 450 CO 0.00 -0.31 -0.07 -0.31 0.98 0.00 0.00 173.24 173.53 2kom s TYR 451 N 1.91 1.95 -0.31 5.02 1.51 -1.26 -5.09 117.35 121.09 2kom s TYR 451 Ca 0.33 -1.26 0.03 0.00 -1.01 0.00 0.00 57.07 55.16 2kom s TYR 451 Cb -0.16 -1.43 0.09 0.00 -0.11 0.00 0.00 41.96 40.34 2kom s TYR 451 CO 0.12 -0.66 0.01 1.21 -1.11 0.00 0.00 175.55 175.12 2kom s ASN 452 N 1.55 4.49 -0.69 2.29 3.04 -1.26 -5.06 114.94 119.29 2kom s ASN 452 Ca 0.00 -1.81 -0.23 0.00 0.04 0.00 0.00 52.86 50.86 2kom s ASN 452 Cb -0.15 -1.45 0.07 0.00 -1.54 0.00 0.00 41.25 38.18 2kom s ASN 452 CO -0.08 -0.33 1.01 0.28 -3.04 0.00 0.00 177.10 174.94 2kom s THR 453 N 1.10 4.31 -0.56 -5.21 -1.32 -1.26 -4.97 115.64 107.73 2kom s THR 453 Ca 0.05 -0.42 -0.23 0.00 -1.21 0.00 0.00 61.69 59.88 2kom s THR 453 Cb -0.19 -4.72 0.05 0.00 -1.51 0.00 0.00 72.50 66.13 2kom s THR 453 CO -0.10 -1.50 0.87 -0.54 -2.21 0.00 0.00 174.62 171.14 2kom s LYS 454 N 4.08 3.24 -0.12 7.08 1.02 -1.26 -5.00 119.74 128.77 2kom s LYS 454 Ca 0.24 -0.52 -0.25 0.00 0.02 0.00 0.00 55.97 55.46 2kom s LYS 454 Cb -0.15 -4.10 -0.02 0.00 -0.52 0.00 0.00 37.83 33.04 2kom s LYS 454 CO 0.08 -1.49 0.82 0.15 -0.92 0.00 0.00 175.35 174.00 2kom s LYS 455 N 3.65 4.36 -0.55 1.68 1.02 -1.26 -4.98 119.74 123.66 2kom s LYS 455 Ca 0.25 1.03 -0.28 0.00 0.02 0.00 0.00 55.97 56.99 2kom s LYS 455 Cb -0.15 -3.53 0.02 0.00 -0.52 0.00 0.00 37.83 33.65 2kom s LYS 455 CO 0.16 -0.20 1.32 0.42 -0.92 0.00 0.00 175.35 176.12 2kom s ILE 456 N 1.70 3.91 0.00 2.17 1.09 -1.26 -4.41 121.20 124.39 2kom s ILE 456 Ca 0.40 0.82 0.00 0.00 -1.10 0.00 0.00 60.65 60.77 2kom s ILE 456 Cb -0.17 -4.53 0.00 0.00 -1.06 0.00 0.00 42.46 36.70 2kom s ILE 456 CO 0.16 -1.18 0.00 0.61 -0.10 0.00 0.00 174.94 174.43 2kom n GLY 457 N 5.14 1.44 3.76 6.18 0.00 -1.26 -4.96 105.19 115.49 2kom n GLY 457 Ca 0.11 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 2kom n GLY 457 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kom s LYS 458 N -1.54 4.24 -0.14 1.61 -2.85 -0.46 -4.86 119.74 115.74 2kom s LYS 458 Ca 0.00 0.49 -0.07 0.00 -1.00 0.00 0.00 55.97 55.39 2kom s LYS 458 Cb 0.00 -3.37 -0.04 0.00 -2.06 0.00 0.00 37.83 32.36 2kom s LYS 458 CO 0.00 0.33 0.11 1.03 0.10 0.00 0.00 175.35 176.92 2kom s ARG 459 N 0.06 3.57 -0.07 1.78 0.52 -1.25 -0.91 118.95 122.65 2kom s ARG 459 Ca 0.26 -0.21 0.02 0.00 -0.52 0.00 0.00 55.73 55.28 2kom s ARG 459 Cb -0.16 -3.18 0.01 0.00 0.52 0.00 0.00 34.95 32.15 2kom s ARG 459 CO 0.12 0.63 -0.11 -1.17 0.02 0.00 0.00 175.30 174.79 2kom s LEU 460 N -0.61 1.58 -0.34 2.53 2.96 0.14 -4.89 118.68 120.06 2kom s LEU 460 Ca 0.12 -0.29 -0.14 0.00 -0.22 0.00 0.00 54.13 53.61 2kom s LEU 460 Cb -0.12 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 2kom s LEU 460 CO 0.02 0.01 0.30 0.54 -1.32 0.00 0.00 176.35 175.91 2kom s ASN 461 N 0.78 6.12 0.00 3.68 2.20 -1.26 -0.23 114.94 126.23 2kom s ASN 461 Ca -0.13 -0.30 0.06 0.00 -0.94 0.00 0.00 52.86 51.56 2kom s ASN 461 Cb -0.15 -2.17 -0.03 0.00 -2.00 0.00 0.00 41.25 36.90 2kom s ASN 461 CO 0.02 -0.28 -0.19 -0.63 -2.94 0.00 0.00 177.10 173.09 2kom s ILE 462 N 1.87 2.71 -0.10 0.54 1.01 0.13 -4.93 121.20 122.43 2kom s ILE 462 Ca 0.09 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.73 2kom s ILE 462 Cb -0.17 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.23 2kom s ILE 462 CO 0.11 0.46 -0.20 -1.10 0.00 0.00 0.00 174.94 174.21 2kom s GLN 463 N -1.06 2.68 0.06 2.79 -0.21 -1.26 0.87 119.66 123.54 2kom s GLN 463 Ca 0.13 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.84 2kom s GLN 463 Cb -0.10 -2.09 -0.03 0.00 1.00 0.00 0.00 33.01 31.78 2kom s GLN 463 CO 0.02 0.09 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.60 2kom s LEU 464 N 0.56 2.69 -0.23 2.90 1.02 0.12 -4.91 118.68 120.83 2kom s LEU 464 Ca -0.15 -0.45 -0.10 0.00 0.02 0.00 0.00 54.13 53.45 2kom s LEU 464 Cb -0.17 -1.56 -0.05 0.00 0.02 0.00 0.00 46.19 44.43 2kom s LEU 464 CO 0.05 0.23 0.15 -0.54 0.02 0.00 0.00 176.35 176.26 2kom s LYS 465 N -1.67 4.07 -0.15 1.70 3.01 -1.26 0.47 119.74 125.90 2kom s LYS 465 Ca 0.16 -0.27 -0.32 0.00 -1.01 0.00 0.00 55.97 54.53 2kom s LYS 465 Cb -0.11 -3.50 -0.09 0.00 -1.01 0.00 0.00 37.83 33.12 2kom s LYS 465 CO 0.07 0.09 2.07 1.17 0.51 0.00 0.00 175.35 179.26 2kom n LYS 466 N 4.18 2.04 0.00 1.68 4.81 0.49 -4.54 118.16 126.82 2kom n LYS 466 Ca -0.15 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 2kom n LYS 466 Cb 0.52 -2.88 0.00 0.00 0.02 0.00 0.00 35.03 32.69 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 5.27 1.25 0.08 3.14 0.00 -1.26 -4.86 105.19 108.80 2kom n GLY 467 Ca 0.28 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2kom n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kom h THR 468 N 0.00 1.50 0.08 2.61 1.03 -1.93 -3.34 112.91 112.86 2kom h THR 468 Ca 0.00 -3.19 -0.34 0.00 -0.01 0.00 0.00 66.41 62.86 2kom h THR 468 Cb 0.00 2.80 -0.03 0.00 -1.07 0.00 0.00 68.15 69.85 2kom h THR 468 CO 0.00 0.88 -1.91 -0.62 -0.01 0.00 0.00 175.52 173.86 2kom n GLU 469 N -3.36 0.70 0.00 0.00 4.71 -1.26 -5.08 120.64 116.35 2kom n GLU 469 Ca -0.06 0.32 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 2kom n GLU 469 Cb 0.98 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 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 1.86 -0.17 3.39 0.62 0.00 -1.25 -4.86 105.19 104.77 2kom n GLY 470 Ca -0.35 -1.25 -0.52 0.00 0.00 0.00 0.00 46.02 43.91 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 1.38 -2.55 0.99 7.99 -1.26 0.13 117.00 123.68 2kom n LEU 471 Ca 0.00 0.43 -0.34 0.00 -0.01 0.00 0.00 56.01 56.08 2kom n LEU 471 Cb 0.00 -1.10 0.04 0.00 -0.11 0.00 0.00 43.42 42.25 2kom n LEU 471 CO 0.00 -0.79 1.12 0.61 -1.51 0.00 0.00 177.39 176.82 2kom n GLY 472 N 6.87 5.83 3.02 -0.72 0.00 -1.26 -4.79 105.19 114.13 2kom n GLY 472 Ca 0.49 -2.50 -0.16 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.85 0.68 0.23 1.61 -0.71 -1.26 -0.32 117.98 114.35 2kom s PHE 473 Ca 0.55 -0.23 0.10 0.00 -1.04 0.00 0.00 56.93 56.31 2kom s PHE 473 Cb 0.45 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 2kom s PHE 473 CO -0.20 -0.02 -0.10 -1.12 -1.34 0.00 0.00 175.22 172.45 2kom s SER 474 N -0.62 4.16 0.21 1.98 0.01 0.24 -4.97 113.70 114.71 2kom s SER 474 Ca -0.01 -0.71 0.08 0.00 1.31 0.00 0.00 55.95 56.62 2kom s SER 474 Cb -0.05 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.49 2kom s SER 474 CO 0.00 0.06 -0.15 0.27 0.41 0.00 0.00 173.24 173.83 2kom s ILE 475 N -2.08 1.80 0.09 1.44 -4.36 -1.26 0.66 121.20 117.49 2kom s ILE 475 Ca 0.28 -2.23 -0.15 0.00 -0.26 0.00 0.00 60.65 58.29 2kom s ILE 475 Cb -0.07 -2.07 0.03 0.00 1.25 0.00 0.00 42.46 41.60 2kom s ILE 475 CO 0.16 -0.58 0.36 0.28 0.24 0.00 0.00 174.94 175.41 2kom s THR 476 N -2.94 0.08 -0.17 8.37 -1.32 0.78 -4.58 115.64 115.85 2kom s THR 476 Ca 0.23 -0.64 -0.05 0.00 -1.21 0.00 0.00 61.69 60.02 2kom s THR 476 Cb -0.01 -1.12 -0.03 0.00 -1.51 0.00 0.00 72.50 69.83 2kom s THR 476 CO 0.08 -0.35 0.00 -0.94 -2.21 0.00 0.00 174.62 171.20 2kom s SER 477 N -2.55 5.11 -0.38 8.08 1.04 -1.26 -0.14 113.70 123.60 2kom s SER 477 Ca 0.00 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.40 2kom s SER 477 Cb 0.01 -1.86 0.16 0.00 0.10 0.00 0.00 66.02 64.43 2kom s SER 477 CO -0.09 0.16 0.36 -0.60 0.98 0.00 0.00 173.24 174.05 2kom s ARG 478 N 0.45 0.67 0.41 4.02 3.52 -1.25 -5.02 118.95 121.75 2kom s ARG 478 Ca -0.01 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 54.54 2kom s ARG 478 Cb -0.14 -0.83 0.00 0.00 -1.56 0.00 0.00 34.95 32.42 2kom s ARG 478 CO 0.02 -1.22 0.00 -0.25 -0.81 0.00 0.00 175.30 173.04 2kom n ASP 479 N 4.04 -6.83 -4.54 -2.12 8.00 -1.26 -4.83 116.55 109.01 2kom n ASP 479 Ca 0.13 0.98 -0.43 0.00 0.71 0.00 0.00 54.79 56.18 2kom n ASP 479 Cb 0.45 -3.47 -0.04 0.00 -0.02 0.00 0.00 41.12 38.04 2kom n ASP 479 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kom s VAL 480 N -3.20 4.42 -0.38 2.53 0.11 -1.26 -4.21 120.40 118.41 2kom s VAL 480 Ca 0.00 0.47 0.03 0.00 -2.93 0.00 0.00 61.98 59.55 2kom s VAL 480 Cb 0.00 -4.50 0.11 0.00 -1.53 0.00 0.00 36.38 30.47 2kom s VAL 480 CO 0.00 -1.00 0.13 -0.89 -3.33 0.00 0.00 175.10 170.01 2kom s THR 481 N 3.88 1.87 -0.17 5.04 2.01 -1.26 -4.89 115.64 122.11 2kom s THR 481 Ca 0.33 -2.34 -0.06 0.00 0.31 0.00 0.00 61.69 59.93 2kom s THR 481 Cb -0.11 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 70.06 2kom s THR 481 CO 0.22 -0.70 0.13 -0.38 -0.69 0.00 0.00 174.62 173.19 2kom n ILE 482 N 4.07 -9.98 -2.36 1.82 -0.00 -1.26 -4.98 119.36 106.67 2kom n ILE 482 Ca 0.03 1.82 0.00 0.00 -0.00 0.00 0.00 62.75 64.61 2kom n ILE 482 Cb 0.39 -5.88 0.00 0.00 -0.00 0.00 0.00 39.64 34.15 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 1.00 -0.49 0.00 7.39 0.00 -1.26 -4.86 105.19 106.97 2kom n GLY 483 Ca -0.21 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.16 0.10 -0.02 0.00 -1.26 -4.96 105.19 98.88 2kom n GLY 484 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -0.87 1.61 0.02 -1.98 -3.48 113.55 108.84 2kom h SER 485 Ca 0.00 -0.41 0.17 0.00 -0.84 0.00 0.00 61.79 60.71 2kom h SER 485 Cb 0.00 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.32 2kom h SER 485 CO 0.00 1.30 0.07 0.00 -1.14 0.00 0.00 176.83 177.07 2kom s ALA 486 N -2.44 -2.80 0.62 3.77 0.00 -1.26 -4.11 121.76 115.54 2kom s ALA 486 Ca -0.25 1.84 -0.19 0.00 0.00 0.00 0.00 51.96 53.37 2kom s ALA 486 Cb 0.05 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 2kom s ALA 486 CO 0.51 -1.18 1.26 -2.14 0.00 0.00 0.00 175.76 174.21 2kom s PRO 487 N 2.72 2.77 -0.08 0.00 0.02 -1.26 -4.88 135.00 134.29 2kom s PRO 487 Ca 0.02 1.97 -0.24 0.00 0.02 0.00 0.00 61.00 62.77 2kom s PRO 487 Cb -0.10 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 2kom s PRO 487 CO -0.16 -1.40 0.75 0.42 -0.33 0.00 0.00 177.00 176.27 2kom s ILE 488 N -1.47 5.00 0.17 2.83 -1.09 -1.25 -3.86 121.20 121.53 2kom s ILE 488 Ca 0.80 1.53 0.09 0.00 -2.23 0.00 0.00 60.65 60.83 2kom s ILE 488 Cb -0.35 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2kom s ILE 488 CO 0.37 0.20 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.79 2kom s TYR 489 N 1.10 1.86 -0.02 3.97 2.02 0.80 0.21 117.35 127.28 2kom s TYR 489 Ca 0.39 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 2kom s TYR 489 Cb -0.18 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 2kom s TYR 489 CO 0.18 0.36 1.25 0.08 -1.57 0.00 0.00 175.55 175.85 2kom s VAL 490 N -2.11 4.08 -0.14 0.71 1.01 -0.98 -0.16 120.40 122.81 2kom s VAL 490 Ca 0.17 1.44 -0.19 0.00 0.00 0.00 0.00 61.98 63.40 2kom s VAL 490 Cb -0.05 -3.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.24 2kom s VAL 490 CO 0.07 0.01 0.41 0.50 0.00 0.00 0.00 175.10 176.10 2kom h LYS 491 N 7.45 0.00 -3.16 2.72 3.64 -0.02 -3.43 116.57 123.77 2kom h LYS 491 Ca -0.36 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.91 2kom h LYS 491 Cb 1.17 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.80 2kom h LYS 491 CO 0.88 0.68 -0.28 1.21 -2.27 0.00 0.00 179.45 179.67 2kom s ASN 492 N -6.13 -0.15 -0.33 4.20 3.84 -1.21 -4.95 114.94 110.20 2kom s ASN 492 Ca -0.16 -0.03 -0.02 0.00 0.21 0.00 0.00 52.86 52.86 2kom s ASN 492 Cb -0.00 0.32 0.07 0.00 -0.55 0.00 0.00 41.25 41.09 2kom s ASN 492 CO 0.47 -0.50 0.06 -0.63 -2.79 0.00 0.00 177.10 173.70 2kom s ILE 493 N -1.78 3.06 0.87 -5.21 -1.09 -1.26 -0.59 121.20 115.20 2kom s ILE 493 Ca -0.10 -1.60 -0.14 0.00 -2.23 0.00 0.00 60.65 56.57 2kom s ILE 493 Cb -0.04 -2.87 -0.01 0.00 -1.58 0.00 0.00 42.46 37.96 2kom s ILE 493 CO 0.01 -0.29 0.31 0.18 -1.23 0.00 0.00 174.94 173.93 2kom n LEU 494 N 4.60 -0.53 0.00 2.97 4.32 0.56 -4.87 117.00 124.05 2kom n LEU 494 Ca -0.09 0.40 0.09 0.00 -0.02 0.00 0.00 56.01 56.39 2kom n LEU 494 Cb 0.43 -1.16 0.45 0.00 -1.62 0.00 0.00 43.42 41.52 2kom n LEU 494 CO 0.28 -3.73 0.78 -0.81 -1.22 0.00 0.00 177.39 172.69 2kom n PRO 495 N -0.90 0.22 -0.15 3.23 -0.04 -1.26 -4.68 135.00 131.41 2kom n PRO 495 Ca 0.07 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2kom n PRO 495 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2kom n PRO 495 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kom n ARG 496 N -1.32 0.00 0.00 0.54 1.74 -1.26 -4.95 116.66 111.41 2kom n ARG 496 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2kom n ARG 496 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.60 2kom n ARG 496 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kom n GLY 497 N 0.00 -1.93 0.27 -0.13 0.00 -1.26 -4.08 105.19 98.05 2kom n GLY 497 Ca 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 1.14 -0.97 4.61 0.00 0.77 -2.88 119.26 121.93 2kom h ALA 498 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2kom h ALA 498 Cb 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2kom h ALA 498 CO 0.00 0.54 0.64 0.00 0.00 0.00 0.00 179.25 180.44 2kom h ALA 499 N 1.31 1.32 0.00 0.00 0.00 -1.75 -1.41 119.26 118.73 2kom h ALA 499 Ca 0.11 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 2kom h ALA 499 Cb 0.51 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2kom h ALA 499 CO 0.03 0.61 -1.01 0.97 0.00 0.00 0.00 179.25 179.85 2kom h ILE 500 N 1.29 1.71 -0.42 0.00 2.10 -1.68 0.34 117.51 120.86 2kom h ILE 500 Ca 0.37 -3.42 -0.00 0.00 1.08 0.00 0.00 64.86 62.89 2kom h ILE 500 Cb -0.11 2.85 -0.02 0.00 -1.09 0.00 0.00 36.82 38.45 2kom h ILE 500 CO -0.09 0.97 0.25 1.56 -1.08 0.00 0.00 178.15 179.77 2kom h GLN 501 N 0.00 0.57 0.05 2.19 1.08 -1.08 -3.09 115.11 114.85 2kom h GLN 501 Ca -0.02 -0.05 -0.35 0.00 -1.45 0.00 0.00 58.65 56.79 2kom h GLN 501 Cb 1.78 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 29.05 2kom h GLN 501 CO 0.13 0.43 -2.02 -3.47 -0.95 0.00 0.00 178.83 172.95 2kom n ASP 502 N -4.75 1.48 -2.00 1.46 -0.08 -0.71 -4.97 116.55 106.98 2kom n ASP 502 Ca 0.01 0.20 -0.17 0.00 -1.51 0.00 0.00 54.79 53.32 2kom n ASP 502 Cb 0.05 -0.35 -0.04 0.00 2.34 0.00 0.00 41.12 43.13 2kom n ASP 502 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kom n GLY 503 N 1.87 0.49 0.32 0.27 0.00 0.12 -4.81 105.19 103.45 2kom n GLY 503 Ca -0.29 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.57 0.77 -4.55 1.61 0.63 -1.26 -4.87 116.66 106.42 2kom n ARG 504 Ca -0.19 -0.64 -0.34 0.00 -0.92 0.00 0.00 57.85 55.76 2kom n ARG 504 Cb 0.62 -1.49 -0.11 0.00 0.45 0.00 0.00 32.46 31.93 2kom n ARG 504 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2kom s LEU 505 N -2.67 3.27 0.32 6.15 2.96 -1.26 -5.11 118.68 122.34 2kom s LEU 505 Ca 0.15 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 2kom s LEU 505 Cb 0.17 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 2kom s LEU 505 CO 0.68 0.35 0.23 -1.59 -1.32 0.00 0.00 176.35 174.70 2kom s LYS 506 N -0.70 1.69 -0.06 1.98 0.00 -1.26 -4.92 119.74 116.47 2kom s LYS 506 Ca 0.11 -1.98 0.01 0.00 0.00 0.00 0.00 55.97 54.10 2kom s LYS 506 Cb -0.11 0.15 0.10 0.00 0.00 0.00 0.00 37.83 37.97 2kom s LYS 506 CO 0.02 -0.58 1.10 0.00 0.00 0.00 0.00 175.35 175.89 2kom n ALA 507 N -0.61 2.94 -0.70 0.59 0.00 -1.26 -2.88 120.51 118.59 2kom n ALA 507 Ca 0.04 -0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.09 2kom n ALA 507 Cb 0.63 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 19.06 2kom n ALA 507 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kom n GLY 508 N 0.24 2.02 3.84 0.00 0.00 -1.26 -4.73 105.19 105.30 2kom n GLY 508 Ca 0.09 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.28 5.96 -0.20 1.61 1.01 -1.14 -5.02 116.67 117.62 2kom s ASP 509 Ca 0.08 0.17 -0.09 0.00 0.71 0.00 0.00 52.55 53.42 2kom s ASP 509 Cb 0.07 -1.75 -0.05 0.00 1.01 0.00 0.00 42.92 42.20 2kom s ASP 509 CO 0.01 0.21 0.11 -0.60 0.21 0.00 0.00 175.17 175.11 2kom s ARG 510 N -2.19 4.12 -0.31 8.23 3.52 -1.25 -2.33 118.95 128.75 2kom s ARG 510 Ca 0.29 -0.26 -0.26 0.00 -0.13 0.00 0.00 55.73 55.37 2kom s ARG 510 Cb -0.12 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 2kom s ARG 510 CO 0.21 0.28 0.93 -0.51 -0.81 0.00 0.00 175.30 175.40 2kom s LEU 511 N 0.39 4.03 -0.19 -0.88 2.01 0.13 -1.41 118.68 122.76 2kom s LEU 511 Ca 0.06 0.87 0.02 0.00 0.01 0.00 0.00 54.13 55.09 2kom s LEU 511 Cb -0.12 -3.30 -0.13 0.00 0.01 0.00 0.00 46.19 42.65 2kom s LEU 511 CO -0.01 -0.73 -0.16 -0.38 1.01 0.00 0.00 176.35 176.07 2kom n ILE 512 N 5.66 1.12 -3.78 -0.59 2.08 0.36 -3.84 119.36 120.38 2kom n ILE 512 Ca 0.08 -0.44 -0.13 0.00 0.56 0.00 0.00 62.75 62.82 2kom n ILE 512 Cb 0.48 -1.17 -0.10 0.00 -0.75 0.00 0.00 39.64 38.10 2kom n ILE 512 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2kom s GLU 513 N -2.39 0.52 -0.03 0.38 2.12 -1.12 -1.48 118.70 116.70 2kom s GLU 513 Ca -0.26 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.12 2kom s GLU 513 Cb 0.07 0.23 0.03 0.00 0.26 0.00 0.00 34.13 34.72 2kom s GLU 513 CO 0.46 -0.12 0.02 0.54 -0.54 0.00 0.00 175.26 175.62 2kom s VAL 514 N -0.71 0.03 0.00 3.70 0.11 -1.11 0.63 120.40 123.05 2kom s VAL 514 Ca -0.08 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2kom s VAL 514 Cb -0.04 -0.16 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 2kom s VAL 514 CO 0.02 0.12 0.00 -3.20 -3.33 0.00 0.00 175.10 168.71 2kom n ASN 515 N 4.25 0.00 0.00 3.54 2.85 0.29 -1.77 115.26 124.42 2kom n ASN 515 Ca -0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 2kom n ASN 515 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 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 3.24 8.20 0.00 -1.26 -4.48 105.19 110.89 2kom n GLY 516 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.86 -0.12 1.61 1.01 -0.73 -5.10 120.40 118.93 2kom s VAL 517 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 2kom s VAL 517 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2kom s VAL 517 CO 0.00 0.52 0.89 -0.62 0.00 0.00 0.00 175.10 175.89 2kom s ASP 518 N -0.24 7.10 -0.15 3.32 -1.08 -1.26 -2.75 116.67 121.61 2kom s ASP 518 Ca 0.00 1.34 0.06 0.00 -0.52 0.00 0.00 52.55 53.43 2kom s ASP 518 Cb -0.12 -2.49 -0.23 0.00 -1.46 0.00 0.00 42.92 38.62 2kom s ASP 518 CO 0.02 -0.37 0.25 0.18 0.52 0.00 0.00 175.17 175.77 2kom n LEU 519 N 4.87 1.69 -4.56 -1.34 4.77 -0.55 -4.56 117.00 117.31 2kom n LEU 519 Ca 0.05 0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.82 2kom n LEU 519 Cb 0.49 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2kom n LEU 519 CO 0.50 0.67 1.50 -0.69 -1.33 0.00 0.00 177.39 178.04 2kom s VAL 520 N -2.55 3.77 0.00 4.08 1.01 -1.26 -1.21 120.40 124.24 2kom s VAL 520 Ca -0.18 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2kom s VAL 520 Cb 0.07 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2kom s VAL 520 CO 0.76 -1.57 0.00 0.61 0.00 0.00 0.00 175.10 174.90 2kom n GLY 521 N 6.60 0.84 3.97 4.51 0.00 -1.26 -5.00 105.19 114.85 2kom n GLY 521 Ca 0.38 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 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 0.44 1.61 -2.85 -0.35 -5.11 119.74 115.82 2kom s LYS 522 Ca 0.00 -1.74 -0.03 0.00 -1.00 0.00 0.00 55.97 53.21 2kom s LYS 522 Cb 0.00 -2.43 -0.03 0.00 -2.06 0.00 0.00 37.83 33.31 2kom s LYS 522 CO 0.00 -0.65 0.70 -1.12 0.10 0.00 0.00 175.35 174.37 2kom s SER 523 N -4.44 6.21 0.19 0.03 0.01 -1.26 -5.00 113.70 109.43 2kom s SER 523 Ca 0.50 0.70 -0.12 0.00 1.31 0.00 0.00 55.95 58.33 2kom s SER 523 Cb -0.04 -2.09 0.21 0.00 0.21 0.00 0.00 66.02 64.30 2kom s SER 523 CO 0.31 -0.51 1.71 1.56 0.41 0.00 0.00 173.24 176.72 2kom h GLN 524 N 0.41 0.22 -0.19 12.44 1.08 -1.99 -2.21 115.11 124.87 2kom h GLN 524 Ca -0.48 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 56.68 2kom h GLN 524 Cb 1.22 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 2kom h GLN 524 CO 0.61 0.14 -0.02 0.93 -0.95 0.00 0.00 178.83 179.55 2kom h GLU 525 N 0.22 0.27 -0.68 1.46 5.08 -1.99 -0.02 114.58 118.93 2kom h GLU 525 Ca 0.26 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2kom h GLU 525 Cb 0.36 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2kom h GLU 525 CO -0.35 0.32 0.21 0.93 -1.00 0.00 0.00 179.01 179.12 2kom h GLU 526 N 0.27 1.04 -0.12 2.33 5.08 -1.80 -0.90 114.58 120.48 2kom h GLU 526 Ca 0.06 -0.21 -0.20 0.00 -1.00 0.00 0.00 59.36 58.01 2kom h GLU 526 Cb 0.22 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.32 2kom h GLU 526 CO 0.01 0.89 -0.70 0.28 -1.00 0.00 0.00 179.01 178.49 2kom h VAL 527 N 1.01 1.31 -0.63 3.13 2.07 -1.00 -2.73 116.25 119.41 2kom h VAL 527 Ca 0.22 -1.95 -0.09 0.00 0.82 0.00 0.00 66.70 65.71 2kom h VAL 527 Cb 0.28 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 2kom h VAL 527 CO -0.01 0.60 0.06 -0.37 0.02 0.00 0.00 177.57 177.87 2kom h VAL 528 N 0.36 1.26 -0.68 2.57 -1.51 -0.83 -2.08 116.25 115.35 2kom h VAL 528 Ca -0.05 -1.09 -0.04 0.00 -1.23 0.00 0.00 66.70 64.29 2kom h VAL 528 Cb 1.34 0.73 -0.03 0.00 -2.13 0.00 0.00 31.29 31.19 2kom h VAL 528 CO 0.14 0.40 0.26 0.28 -1.23 0.00 0.00 177.57 177.42 2kom h SER 529 N 0.99 0.93 0.21 4.19 0.02 -1.20 0.15 113.55 118.83 2kom h SER 529 Ca 0.19 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 2kom h SER 529 Cb 0.49 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2kom h SER 529 CO 0.02 0.84 -0.44 0.17 -1.14 0.00 0.00 176.83 176.27 2kom h LEU 530 N 0.98 0.31 -0.12 5.07 8.10 -1.14 -0.75 115.31 127.76 2kom h LEU 530 Ca 0.23 -0.14 -0.01 0.00 0.11 0.00 0.00 57.88 58.06 2kom h LEU 530 Cb 0.21 -0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 40.34 2kom h LEU 530 CO -0.02 0.72 0.02 0.25 -4.11 0.00 0.00 178.44 175.30 2kom h LEU 531 N 0.24 0.20 -1.74 0.17 6.46 -0.70 -0.15 115.31 119.78 2kom h LEU 531 Ca 0.02 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 2kom h LEU 531 Cb 0.88 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2kom h LEU 531 CO 0.07 0.41 0.03 0.03 -0.62 0.00 0.00 178.44 178.35 2kom h ARG 532 N -0.02 0.18 0.02 1.25 2.47 -0.31 -1.76 114.38 116.21 2kom h ARG 532 Ca 0.04 -0.02 -0.17 0.00 -1.26 0.00 0.00 59.98 58.57 2kom h ARG 532 Cb 0.30 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2kom h ARG 532 CO 0.00 0.18 -0.69 1.03 0.56 0.00 0.00 179.97 181.06 2kom h SER 533 N 0.19 0.57 -3.47 7.04 0.87 -0.99 -3.50 113.55 114.26 2kom h SER 533 Ca 0.05 -0.78 0.31 0.00 -1.23 0.00 0.00 61.79 60.13 2kom h SER 533 Cb 0.09 -0.18 -0.09 0.00 -0.44 0.00 0.00 62.40 61.78 2kom h SER 533 CO -0.00 1.28 -0.49 0.41 -0.53 0.00 0.00 176.83 177.50 2kom n THR 534 N -4.16 0.00 -4.04 2.23 -1.04 -0.08 -4.82 114.28 102.37 2kom n THR 534 Ca -0.11 0.10 -0.36 0.00 -2.04 0.00 0.00 64.05 61.64 2kom n THR 534 Cb 0.72 -0.49 -0.07 0.00 -1.82 0.00 0.00 70.33 68.67 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 -2.23 3.32 0.60 -2.82 2.20 -1.26 -4.99 119.74 114.56 2kom s LYS 535 Ca 0.00 -0.23 0.37 0.00 -0.36 0.00 0.00 55.97 55.76 2kom s LYS 535 Cb 0.00 -3.07 1.82 0.00 -1.51 0.00 0.00 37.83 35.07 2kom s LYS 535 CO 0.00 0.73 2.16 0.52 -0.36 0.00 0.00 175.35 178.40 2kom h MET 536 N 5.12 0.00 -0.93 4.03 2.86 -1.91 -0.25 114.93 123.86 2kom h MET 536 Ca -0.53 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.15 2kom h MET 536 Cb 1.21 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.82 2kom h MET 536 CO 0.58 0.02 0.61 1.49 1.06 0.00 0.00 176.91 180.66 2kom h GLU 537 N 0.00 1.12 0.00 1.72 4.81 -2.01 -3.46 114.58 116.75 2kom h GLU 537 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2kom h GLU 537 Cb 0.28 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2kom h GLU 537 CO 0.00 0.74 0.00 0.41 -0.73 0.00 0.00 179.01 179.43 2kom n GLY 538 N -1.39 1.81 3.86 1.92 0.00 -0.11 -5.05 105.19 106.23 2kom n GLY 538 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.85 5.23 -0.08 2.61 2.01 -1.26 -0.38 115.64 121.92 2kom s THR 539 Ca 0.00 0.53 0.05 0.00 0.31 0.00 0.00 61.69 62.58 2kom s THR 539 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 2kom s THR 539 CO 0.00 0.56 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.57 2kom s VAL 540 N -1.10 2.20 0.01 3.82 1.01 0.18 -4.45 120.40 122.07 2kom s VAL 540 Ca 0.21 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 2kom s VAL 540 Cb -0.15 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 34.35 2kom s VAL 540 CO 0.10 0.56 0.48 -0.44 0.00 0.00 0.00 175.10 175.81 2kom s SER 541 N 0.02 6.88 -0.15 3.32 0.01 -1.26 0.14 113.70 122.66 2kom s SER 541 Ca -0.09 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.23 2kom s SER 541 Cb -0.15 -2.30 0.02 0.00 0.21 0.00 0.00 66.02 63.80 2kom s SER 541 CO 0.05 0.25 -0.15 -0.76 0.41 0.00 0.00 173.24 173.05 2kom s LEU 542 N -0.81 1.72 -0.29 2.44 2.01 0.25 0.10 118.68 124.12 2kom s LEU 542 Ca 0.26 -0.50 -0.09 0.00 0.01 0.00 0.00 54.13 53.82 2kom s LEU 542 Cb -0.17 -1.20 -0.01 0.00 0.01 0.00 0.00 46.19 44.81 2kom s LEU 542 CO 0.15 -0.05 0.13 -0.22 1.01 0.00 0.00 176.35 177.37 2kom s LEU 543 N 1.44 3.89 -0.03 1.79 2.96 0.21 0.22 118.68 129.16 2kom s LEU 543 Ca 0.04 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 2kom s LEU 543 Cb -0.13 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2kom s LEU 543 CO -0.10 -0.14 -0.22 0.68 -1.32 0.00 0.00 176.35 175.25 2kom s VAL 544 N 1.61 2.43 -0.26 1.68 -7.23 0.68 -0.48 120.40 118.84 2kom s VAL 544 Ca 0.05 -0.97 -0.04 0.00 -1.81 0.00 0.00 61.98 59.20 2kom s VAL 544 Cb -0.16 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.89 2kom s VAL 544 CO 0.05 0.58 0.00 0.12 -0.31 0.00 0.00 175.10 175.54 2kom s PHE 545 N -0.66 3.06 -0.11 2.82 5.36 -0.50 0.28 117.98 128.23 2kom s PHE 545 Ca 0.11 -1.10 0.00 0.00 -0.96 0.00 0.00 56.93 54.98 2kom s PHE 545 Cb -0.10 -2.15 0.02 0.00 -0.34 0.00 0.00 43.02 40.45 2kom s PHE 545 CO -0.00 -0.60 -0.11 1.03 -1.46 0.00 0.00 175.22 174.08 2kom s ARG 546 N 1.45 1.79 -0.29 10.12 0.52 -0.08 -3.89 118.95 128.57 2kom s ARG 546 Ca 0.03 -0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 54.73 2kom s ARG 546 Cb -0.16 -1.70 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 2kom s ARG 546 CO -0.01 -0.19 0.32 -1.14 0.02 0.00 0.00 175.30 174.29 2kom s GLN 547 N 1.43 3.92 0.34 3.54 0.74 -1.26 -1.35 119.66 127.02 2kom s GLN 547 Ca 0.01 -0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.27 2kom s GLN 547 Cb -0.13 -3.68 0.00 0.00 1.10 0.00 0.00 33.01 30.29 2kom s GLN 547 CO -0.06 -0.29 0.00 -1.91 -0.55 0.00 0.00 175.29 172.47 2kom n GLU 548 N 5.26 -2.92 0.00 1.67 2.13 -1.26 -4.97 120.64 120.55 2kom n GLU 548 Ca -0.10 1.94 0.14 0.00 0.66 0.00 0.00 57.16 59.79 2kom n GLU 548 Cb 0.51 -3.56 0.43 0.00 0.27 0.00 0.00 31.44 29.09 2kom n GLU 548 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25