#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kep n GLY 460 N 0.00 1.20 3.79 4.97 0.00 -1.26 -4.83 105.19 109.06 3kep n GLY 460 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kep n GLY 460 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kep s TYR 461 N -3.15 2.88 0.09 1.61 1.51 -1.26 -0.70 117.35 118.33 3kep s TYR 461 Ca 0.00 1.54 -0.25 0.00 -1.01 0.00 0.00 57.07 57.35 3kep s TYR 461 Cb 0.00 -3.11 0.07 0.00 -0.11 0.00 0.00 41.96 38.81 3kep s TYR 461 CO 0.00 -1.19 0.61 1.67 -1.11 0.00 0.00 175.55 175.53 3kep s TRP 462 N -2.13 -0.56 0.17 2.71 1.48 -0.31 -4.93 118.94 115.38 3kep s TRP 462 Ca 0.67 0.55 -0.12 0.00 -1.06 0.00 0.00 56.10 56.15 3kep s TRP 462 Cb -0.18 0.50 0.00 0.00 -1.16 0.00 0.00 33.47 32.63 3kep s TRP 462 CO 0.30 -0.77 0.37 0.00 -4.06 0.00 0.00 176.95 172.79 3kep s SER 464 N -2.93 0.51 0.44 0.00 0.15 0.30 -2.98 113.70 109.18 3kep s SER 464 Ca 0.14 0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.67 3kep s SER 464 Cb 0.02 -0.05 -0.12 0.00 -1.71 0.00 0.00 66.02 64.16 3kep s SER 464 CO -0.01 -0.19 0.65 -2.65 1.20 0.00 0.00 173.24 172.24 3kep n PRO 465 N 4.69 0.72 -1.29 5.44 -0.02 -1.26 -1.22 135.00 142.07 3kep n PRO 465 Ca -0.17 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.27 3kep n PRO 465 Cb 0.50 -1.64 0.11 0.00 -0.02 0.00 0.00 33.50 32.45 3kep n PRO 465 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kep s SER 466 N -0.93 4.09 0.43 2.55 1.04 -1.16 -4.73 113.70 114.99 3kep s SER 466 Ca 0.64 1.60 0.16 0.00 0.48 0.00 0.00 55.95 58.83 3kep s SER 466 Cb -0.58 -2.31 1.07 0.00 0.10 0.00 0.00 66.02 64.30 3kep s SER 466 CO 0.57 -2.26 1.91 -0.65 0.98 0.00 0.00 173.24 173.79 3kep h PRO 467 N -1.29 0.39 -0.20 4.02 0.11 -1.97 -0.11 132.00 132.96 3kep h PRO 467 Ca -0.47 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 3kep h PRO 467 Cb 1.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3kep h PRO 467 CO 0.54 0.26 -0.49 0.93 -0.21 0.00 0.00 178.00 179.03 3kep h GLU 468 N 0.40 0.53 -0.22 1.05 3.07 -1.98 -2.29 114.58 115.14 3kep h GLU 468 Ca 0.38 -0.31 -0.16 0.00 -0.50 0.00 0.00 59.36 58.78 3kep h GLU 468 Cb 0.91 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 3kep h GLU 468 CO -0.12 0.90 -0.50 1.96 -1.40 0.00 0.00 179.01 179.85 3kep h GLN 469 N 0.42 0.61 -0.29 2.33 4.20 -1.66 -3.15 115.11 117.57 3kep h GLN 469 Ca 0.02 -0.36 -0.11 0.00 0.06 0.00 0.00 58.65 58.26 3kep h GLN 469 Cb 1.01 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 3kep h GLN 469 CO 0.09 0.97 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.87 3kep h LEU 470 N 0.48 0.62 -1.40 1.46 3.38 -0.76 -2.23 115.31 116.86 3kep h LEU 470 Ca 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3kep h LEU 470 Cb 1.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3kep h LEU 470 CO 0.10 0.87 0.00 1.05 0.09 0.00 0.00 178.44 180.55 3kep h GLU 471 N 0.52 0.00 -0.39 1.13 4.11 -1.43 -2.34 114.58 116.18 3kep h GLU 471 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 3kep h GLU 471 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3kep h GLU 471 CO 0.06 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.68 3kep n ARG 472 N -2.83 1.84 -4.04 1.06 1.74 -0.84 -4.84 116.66 108.74 3kep n ARG 472 Ca 0.01 -1.08 -0.25 0.00 -0.77 0.00 0.00 57.85 55.76 3kep n ARG 472 Cb 0.26 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 3kep n ARG 472 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kep s LEU 473 N -1.02 4.01 0.60 0.55 1.43 -0.88 -5.09 118.68 118.28 3kep s LEU 473 Ca 0.20 -0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 3kep s LEU 473 Cb 0.11 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 3kep s LEU 473 CO 0.12 0.03 0.99 -0.94 0.23 0.00 0.00 176.35 176.78 3kep s SER 474 N -3.37 6.22 0.44 2.29 1.04 -1.26 -4.86 113.70 114.20 3kep s SER 474 Ca 0.33 1.33 0.13 0.00 0.48 0.00 0.00 55.95 58.21 3kep s SER 474 Cb -0.10 -2.42 1.02 0.00 0.10 0.00 0.00 66.02 64.62 3kep s SER 474 CO 0.26 -0.83 2.01 0.25 0.98 0.00 0.00 173.24 175.91 3kep h LEU 475 N -0.24 0.35 -0.26 2.42 5.85 -1.98 0.96 115.31 122.41 3kep h LEU 475 Ca -0.44 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.07 3kep h LEU 475 Cb 1.19 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3kep h LEU 475 CO 0.62 0.23 -0.71 0.11 -0.34 0.00 0.00 178.44 178.34 3kep h LYS 476 N 0.40 0.71 -0.66 1.25 6.56 -2.01 -2.97 116.57 119.85 3kep h LYS 476 Ca 0.22 -0.55 -0.01 0.00 -1.06 0.00 0.00 60.65 59.25 3kep h LYS 476 Cb 0.36 0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 32.09 3kep h LYS 476 CO -0.06 1.17 0.36 1.96 -2.06 0.00 0.00 179.45 180.82 3kep h GLN 477 N 0.50 0.91 0.00 3.15 4.20 -1.67 -2.78 115.11 119.42 3kep h GLN 477 Ca -0.03 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3kep h GLN 477 Cb 1.32 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.92 3kep h GLN 477 CO 0.14 0.67 0.00 1.28 -0.67 0.00 0.00 178.83 180.25 3kep n LEU 478 N -4.38 0.54 0.12 1.46 4.77 0.24 -2.28 117.00 117.47 3kep n LEU 478 Ca 0.06 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 3kep n LEU 478 Cb 0.10 -0.60 0.40 0.00 -2.33 0.00 0.00 43.42 40.99 3kep n LEU 478 CO 0.37 -0.57 0.88 0.00 -1.33 0.00 0.00 177.39 176.74 3kep h ALA 479 N 2.25 1.00 -1.88 -1.18 0.00 -1.39 0.11 119.26 118.17 3kep h ALA 479 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3kep h ALA 479 Cb 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.74 3kep h ALA 479 CO 0.00 0.00 -0.94 0.00 0.00 0.00 0.00 179.25 178.31 3kep n ALA 480 N -1.81 1.86 -2.71 0.00 0.00 -0.97 -3.59 120.51 113.29 3kep n ALA 480 Ca 0.05 -2.87 -0.39 0.00 0.00 0.00 0.00 53.44 50.23 3kep n ALA 480 Cb 0.42 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 3kep n ALA 480 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kep s VAL 481 N -0.30 5.13 0.31 0.00 1.01 0.34 -4.76 120.40 122.13 3kep s VAL 481 Ca 0.33 1.10 -0.08 0.00 0.00 0.00 0.00 61.98 63.33 3kep s VAL 481 Cb 0.11 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 3kep s VAL 481 CO -0.15 0.27 0.62 -0.44 0.00 0.00 0.00 175.10 175.40 3kep s SER 482 N 0.78 6.53 -1.38 3.32 0.01 -1.26 -1.55 113.70 120.14 3kep s SER 482 Ca 0.29 0.91 -0.03 0.00 1.31 0.00 0.00 55.95 58.43 3kep s SER 482 Cb -0.16 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.85 3kep s SER 482 CO 0.12 -0.22 0.38 0.59 0.41 0.00 0.00 173.24 174.51 3kep n ASN 483 N -0.81 -5.38 -4.73 2.44 3.02 -1.26 -4.76 115.26 103.78 3kep n ASN 483 Ca 0.00 -0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 53.96 3kep n ASN 483 Cb 0.54 -4.29 -0.04 0.00 -0.61 0.00 0.00 39.78 35.38 3kep n ASN 483 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3kep s PHE 484 N -3.03 3.64 -0.02 3.10 5.36 -1.26 -4.47 117.98 121.31 3kep s PHE 484 Ca 0.19 1.62 -0.00 0.00 -0.96 0.00 0.00 56.93 57.77 3kep s PHE 484 Cb -0.08 -3.21 0.02 0.00 -0.34 0.00 0.00 43.02 39.41 3kep s PHE 484 CO 0.23 -0.40 0.03 0.08 -1.46 0.00 0.00 175.22 173.70 3kep s VAL 485 N 0.30 -0.04 -0.02 3.12 1.01 -0.36 -1.46 120.40 122.96 3kep s VAL 485 Ca 0.51 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3kep s VAL 485 Cb -0.26 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.06 3kep s VAL 485 CO 0.31 0.07 0.00 -0.51 0.00 0.00 0.00 175.10 174.97 3kep s ILE 486 N 0.81 0.07 0.34 2.22 2.07 -0.54 -0.54 121.20 125.63 3kep s ILE 486 Ca -0.07 0.07 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3kep s ILE 486 Cb -0.10 -0.14 -0.00 0.00 0.13 0.00 0.00 42.46 42.35 3kep s ILE 486 CO -0.02 0.08 0.44 -0.83 -1.91 0.00 0.00 174.94 172.70 3kep s GLY 487 N 0.62 1.61 -0.07 1.50 0.00 -0.16 -0.34 107.32 110.49 3kep s GLY 487 Ca -0.06 -1.60 -0.02 0.00 0.00 0.00 0.00 44.72 43.04 3kep s GLY 487 CO -0.01 -1.07 0.05 -1.60 0.00 0.00 0.00 173.10 170.46 3kep s ARG 488 N -3.14 0.17 0.15 2.90 3.52 -0.49 -1.16 118.95 120.90 3kep s ARG 488 Ca 0.32 0.21 -0.34 0.00 -0.13 0.00 0.00 55.73 55.80 3kep s ARG 488 Cb 0.00 -0.86 -0.13 0.00 -1.56 0.00 0.00 34.95 32.39 3kep s ARG 488 CO 0.21 -0.37 1.63 0.54 -0.81 0.00 0.00 175.30 176.50 3kep n ARG 489 N 5.24 2.26 -0.80 5.12 1.74 0.13 -0.74 116.66 129.61 3kep n ARG 489 Ca -0.05 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 3kep n ARG 489 Cb 0.50 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 3kep n ARG 489 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kep n GLY 490 N 3.59 1.02 0.94 -0.13 0.00 -1.26 -4.85 105.19 104.49 3kep n GLY 490 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3kep n GLY 490 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kep n TYR 491 N -2.00 0.00 -3.82 1.61 4.01 0.08 -4.82 117.16 112.22 3kep n TYR 491 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kep n TYR 491 Cb 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3kep n TYR 491 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kep n GLY 492 N 2.82 -0.72 3.54 2.72 0.00 -0.62 -0.65 105.19 112.28 3kep n GLY 492 Ca 0.00 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 3kep n GLY 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kep s ILE 494 N -1.11 2.83 -0.38 0.00 1.01 0.54 -1.25 121.20 122.85 3kep s ILE 494 Ca -0.08 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 3kep s ILE 494 Cb -0.00 -2.23 0.08 0.00 0.01 0.00 0.00 42.46 40.33 3kep s ILE 494 CO 0.07 0.49 0.15 -0.89 0.00 0.00 0.00 174.94 174.77 3kep s THR 495 N 1.01 3.37 0.34 2.92 2.01 0.79 -1.47 115.64 124.60 3kep s THR 495 Ca -0.01 -1.72 -0.27 0.00 0.31 0.00 0.00 61.69 59.99 3kep s THR 495 Cb -0.15 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.12 3kep s THR 495 CO -0.02 -0.47 1.15 -0.36 -0.69 0.00 0.00 174.62 174.22 3kep s PHE 496 N 1.23 3.30 -0.29 4.92 0.40 -0.53 -1.26 117.98 125.75 3kep s PHE 496 Ca 0.03 1.60 0.22 0.00 -0.60 0.00 0.00 56.93 58.18 3kep s PHE 496 Cb -0.22 -3.37 0.11 0.00 0.51 0.00 0.00 43.02 40.05 3kep s PHE 496 CO -0.02 -1.01 1.24 1.96 0.70 0.00 0.00 175.22 178.09 3kep h GLN 497 N 3.25 0.00 -4.74 0.44 1.08 -1.61 -3.43 115.11 110.11 3kep h GLN 497 Ca -0.48 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.43 3kep h GLN 497 Cb 1.22 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.50 3kep h GLN 497 CO 0.65 0.06 -0.62 -1.01 -0.95 0.00 0.00 178.83 176.95 3kep s HIS 498 N -3.25 1.32 0.33 2.96 3.76 -1.26 -5.04 115.29 114.11 3kep s HIS 498 Ca 0.02 -1.24 -0.26 0.00 -0.15 0.00 0.00 55.06 53.43 3kep s HIS 498 Cb 0.08 -0.73 -0.13 0.00 1.11 0.00 0.00 32.58 32.91 3kep s HIS 498 CO 0.75 -0.45 0.88 -0.25 -0.85 0.00 0.00 174.74 174.82 3kep n ASP 499 N -0.34 0.67 -4.39 1.40 8.00 -1.26 -4.82 116.55 115.80 3kep n ASP 499 Ca -0.00 1.10 -0.25 0.00 0.71 0.00 0.00 54.79 56.35 3kep n ASP 499 Cb 0.66 -1.24 -0.11 0.00 -0.02 0.00 0.00 41.12 40.40 3kep n ASP 499 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kep s VAL 500 N -1.17 2.15 -0.36 2.53 -7.23 -0.60 -4.83 120.40 110.89 3kep s VAL 500 Ca 0.61 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.64 3kep s VAL 500 Cb -0.67 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.25 3kep s VAL 500 CO 0.59 -0.22 0.21 -0.62 -0.31 0.00 0.00 175.10 174.75 3kep s ASP 501 N -2.74 5.79 -0.11 4.85 2.15 -1.24 -0.50 116.67 124.87 3kep s ASP 501 Ca 0.19 -0.76 0.15 0.00 0.43 0.00 0.00 52.55 52.57 3kep s ASP 501 Cb -0.07 -2.06 0.52 0.00 -0.30 0.00 0.00 42.92 41.02 3kep s ASP 501 CO 0.09 -0.32 1.44 0.18 -0.17 0.00 0.00 175.17 176.39 3kep n LEU 502 N 5.04 3.90 0.18 -1.34 4.77 0.37 -4.32 117.00 125.59 3kep n LEU 502 Ca -0.12 -2.55 0.14 0.00 -0.03 0.00 0.00 56.01 53.44 3kep n LEU 502 Cb 0.48 -0.46 0.57 0.00 -2.33 0.00 0.00 43.42 41.67 3kep n LEU 502 CO 0.36 0.73 0.91 0.71 -1.33 0.00 0.00 177.39 178.77 3kep h THR 503 N 2.55 0.00 0.00 -5.08 1.35 -1.92 -2.24 112.91 107.57 3kep h THR 503 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3kep h THR 503 Cb 1.25 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3kep h THR 503 CO 0.17 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.44 3kep n ALA 504 N -1.89 2.05 -0.24 6.62 0.00 -1.26 -3.97 120.51 121.82 3kep n ALA 504 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.41 3kep n ALA 504 Cb 0.25 -1.36 0.11 0.00 0.00 0.00 0.00 19.45 18.46 3kep n ALA 504 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kep n PHE 505 N -1.44 0.34 0.31 0.00 3.72 -0.84 -4.74 117.46 114.80 3kep n PHE 505 Ca 0.07 -0.56 0.17 0.00 -0.05 0.00 0.00 57.45 57.07 3kep n PHE 505 Cb 0.24 -0.07 0.75 0.00 -0.94 0.00 0.00 39.48 39.46 3kep n PHE 505 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3kep h THR 506 N 1.27 0.00 -0.94 4.37 1.35 -1.73 -2.71 112.91 114.52 3kep h THR 506 Ca 0.00 -0.27 0.09 0.00 -0.55 0.00 0.00 66.41 65.68 3kep h THR 506 Cb 0.74 1.15 -0.07 0.00 -1.73 0.00 0.00 68.15 68.23 3kep h THR 506 CO 0.02 0.00 0.58 0.11 -0.25 0.00 0.00 175.52 175.98 3kep h LYS 507 N 0.00 0.96 -0.55 4.72 6.56 -1.92 -3.40 116.57 122.94 3kep h LYS 507 Ca 0.00 -0.06 0.18 0.00 -1.06 0.00 0.00 60.65 59.72 3kep h LYS 507 Cb 0.31 -0.22 -0.21 0.00 -0.57 0.00 0.00 32.23 31.54 3kep h LYS 507 CO 0.00 0.63 -0.02 0.45 -2.06 0.00 0.00 179.45 178.45 3kep s SER 508 N -5.73 -0.78 0.19 0.86 0.15 -1.03 -5.05 113.70 102.31 3kep s SER 508 Ca -0.12 0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.84 3kep s SER 508 Cb 0.20 1.63 0.11 0.00 -1.71 0.00 0.00 66.02 66.26 3kep s SER 508 CO 0.80 -0.15 1.86 -0.26 1.20 0.00 0.00 173.24 176.70 3kep h PHE 509 N 7.95 0.82 -0.06 3.44 0.04 -1.75 0.40 116.94 127.76 3kep h PHE 509 Ca -0.15 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 3kep h PHE 509 Cb 1.17 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 39.04 3kep h PHE 509 CO 0.07 0.51 0.03 -0.09 -0.60 0.00 0.00 178.31 178.24 3kep h ARG 510 N 0.88 0.09 -0.04 1.51 2.43 -1.93 -1.03 114.38 116.29 3kep h ARG 510 Ca 0.24 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.24 3kep h ARG 510 Cb -0.10 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3kep h ARG 510 CO -0.05 0.19 -0.68 0.93 -1.51 0.00 0.00 179.97 178.84 3kep h GLU 511 N -0.03 0.18 -0.06 0.20 5.08 -1.86 -1.37 114.58 116.72 3kep h GLU 511 Ca 0.02 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 3kep h GLU 511 Cb 0.13 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.42 3kep h GLU 511 CO -0.00 0.79 -0.49 0.93 -1.00 0.00 0.00 179.01 179.23 3kep h GLU 512 N 0.12 0.43 0.09 2.33 4.39 -0.88 -3.38 114.58 117.68 3kep h GLU 512 Ca -0.02 -0.39 -0.20 0.00 0.34 0.00 0.00 59.36 59.10 3kep h GLU 512 Cb 1.22 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3kep h GLU 512 CO 0.10 1.04 -0.98 -0.07 -1.16 0.00 0.00 179.01 177.94 3kep h LEU 513 N -0.04 0.30 -8.19 1.33 3.38 -1.23 -0.78 115.31 110.08 3kep h LEU 513 Ca -0.05 -0.87 -0.59 0.00 0.09 0.00 0.00 57.88 56.47 3kep h LEU 513 Cb 1.17 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.72 3kep h LEU 513 CO 0.10 1.43 1.31 -0.36 0.09 0.00 0.00 178.44 181.02 3kep s PHE 514 N -2.41 2.48 0.00 1.13 0.08 -0.52 -1.85 117.98 116.90 3kep s PHE 514 Ca -0.19 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.25 3kep s PHE 514 Cb 0.02 -4.65 0.00 0.00 -0.57 0.00 0.00 43.02 37.82 3kep s PHE 514 CO 0.75 -1.96 0.00 0.41 -0.10 0.00 0.00 175.22 174.32 3kep n GLY 515 N 6.33 0.72 0.88 4.36 0.00 0.11 -4.88 105.19 112.71 3kep n GLY 515 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 3kep n GLY 515 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kep n LYS 516 N -2.48 0.00 0.11 1.61 -0.00 -1.22 -4.81 118.16 111.38 3kep n LYS 516 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 3kep n LYS 516 Cb 0.00 -0.08 -0.14 0.00 -0.00 0.00 0.00 35.03 34.81 3kep n LYS 516 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 3kep h ILE 517 N -0.01 1.46 -3.25 0.58 1.08 -1.19 -3.42 117.51 112.77 3kep h ILE 517 Ca 0.00 -2.96 -0.66 0.00 -0.39 0.00 0.00 64.86 60.84 3kep h ILE 517 Cb 0.01 2.93 -0.31 0.00 -3.07 0.00 0.00 36.82 36.38 3kep h ILE 517 CO 0.00 0.87 -0.80 -0.69 -0.69 0.00 0.00 178.15 176.84 3kep s VAL 518 N -2.69 2.65 -0.14 1.67 1.01 -0.77 -0.80 120.40 121.33 3kep s VAL 518 Ca -0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 3kep s VAL 518 Cb 0.07 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.34 3kep s VAL 518 CO 0.89 0.50 -0.06 -0.63 0.00 0.00 0.00 175.10 175.81 3kep s ILE 519 N 1.05 1.05 -0.32 2.22 1.01 -0.17 -0.71 121.20 125.32 3kep s ILE 519 Ca -0.01 -0.47 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 3kep s ILE 519 Cb -0.15 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3kep s ILE 519 CO -0.04 0.22 0.43 -0.36 0.00 0.00 0.00 174.94 175.19 3kep s PHE 520 N 1.68 3.21 0.22 3.97 0.08 -1.26 -0.97 117.98 124.90 3kep s PHE 520 Ca 0.03 0.22 0.07 0.00 0.12 0.00 0.00 56.93 57.36 3kep s PHE 520 Cb -0.14 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 3kep s PHE 520 CO -0.08 -0.40 0.12 1.03 -0.10 0.00 0.00 175.22 175.79 3kep s ARG 521 N 2.19 2.75 0.00 0.44 0.52 -0.78 -4.98 118.95 119.08 3kep s ARG 521 Ca 0.16 -1.06 0.13 0.00 -0.52 0.00 0.00 55.73 54.44 3kep s ARG 521 Cb -0.16 -2.50 0.59 0.00 0.52 0.00 0.00 34.95 33.41 3kep s ARG 521 CO 0.12 0.43 1.40 0.43 0.02 0.00 0.00 175.30 177.69 3kep n SER 522 N -0.74 0.00 -0.06 0.23 7.64 -1.26 -0.76 113.62 118.66 3kep n SER 522 Ca -0.08 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.18 3kep n SER 522 Cb 0.57 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 3kep n SER 522 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3kep n SER 523 N -1.44 0.11 -2.97 6.43 3.41 -1.26 -4.88 113.62 113.03 3kep n SER 523 Ca 0.04 -1.81 -0.17 0.00 -0.26 0.00 0.00 58.87 56.67 3kep n SER 523 Cb 0.14 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.10 3kep n SER 523 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kep n LYS 524 N -0.43 -5.98 -4.28 4.33 4.76 0.06 -5.01 118.16 111.61 3kep n LYS 524 Ca 0.00 0.67 -0.15 0.00 -2.87 0.00 0.00 58.31 55.96 3kep n LYS 524 Cb 0.03 -5.21 -0.10 0.00 -1.84 0.00 0.00 35.03 27.91 3kep n LYS 524 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3kep s THR 525 N -3.27 0.87 -0.02 -0.18 2.01 -1.19 -4.95 115.64 108.91 3kep s THR 525 Ca 0.28 -2.01 0.01 0.00 0.31 0.00 0.00 61.69 60.28 3kep s THR 525 Cb -0.12 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.21 3kep s THR 525 CO 0.59 -0.44 -0.03 0.54 -0.69 0.00 0.00 174.62 174.58 3kep s VAL 526 N -3.53 0.34 -0.07 3.82 0.11 -1.26 -1.87 120.40 117.93 3kep s VAL 526 Ca 0.25 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.22 3kep s VAL 526 Cb 0.06 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 3kep s VAL 526 CO 0.06 0.13 -0.20 -0.70 -3.33 0.00 0.00 175.10 171.05 3kep s GLU 527 N 0.30 2.39 -0.14 1.54 2.12 -0.15 -4.99 118.70 119.77 3kep s GLU 527 Ca -0.03 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.59 3kep s GLU 527 Cb -0.06 -1.91 0.02 0.00 0.26 0.00 0.00 34.13 32.44 3kep s GLU 527 CO -0.00 0.19 -0.13 0.08 -0.54 0.00 0.00 175.26 174.85 3kep s VAL 528 N 0.28 1.49 -0.57 3.70 1.01 -1.26 -1.00 120.40 124.05 3kep s VAL 528 Ca -0.12 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3kep s VAL 528 Cb -0.16 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.83 3kep s VAL 528 CO 0.06 0.44 0.59 -1.22 0.00 0.00 0.00 175.10 174.97 3kep n TYR 529 N 4.70 -2.75 0.28 5.22 4.01 0.02 -4.95 117.16 123.70 3kep n TYR 529 Ca -0.17 1.07 0.14 0.00 -0.16 0.00 0.00 57.90 58.78 3kep n TYR 529 Cb 0.50 -3.79 0.82 0.00 -0.31 0.00 0.00 39.34 36.56 3kep n TYR 529 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3kep h PRO 530 N 0.79 0.00 -5.71 -0.72 0.11 -1.81 -3.39 132.00 121.26 3kep h PRO 530 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.48 3kep h PRO 530 Cb 0.96 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.94 3kep h PRO 530 CO 0.24 0.07 0.40 0.34 -0.21 0.00 0.00 178.00 178.84 3kep s ASP 531 N -6.10 6.36 0.37 -2.05 -1.08 -1.26 -4.93 116.67 107.98 3kep s ASP 531 Ca -0.04 -0.31 0.16 0.00 -0.52 0.00 0.00 52.55 51.85 3kep s ASP 531 Cb 0.14 -2.39 1.04 0.00 -1.46 0.00 0.00 42.92 40.25 3kep s ASP 531 CO 0.56 -1.04 1.75 1.05 0.52 0.00 0.00 175.17 178.02 3kep h GLU 532 N 9.12 0.43 0.00 4.34 4.11 -1.97 -1.27 114.58 129.34 3kep h GLU 532 Ca -0.26 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.10 3kep h GLU 532 Cb 1.08 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3kep h GLU 532 CO 1.01 0.29 -0.23 0.00 0.07 0.00 0.00 179.01 180.14 3kep h ALA 533 N 1.65 1.24 0.00 1.06 0.00 -1.94 -2.98 119.26 118.29 3kep h ALA 533 Ca 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3kep h ALA 533 Cb 1.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3kep h ALA 533 CO -0.35 0.29 -1.35 0.25 0.00 0.00 0.00 179.25 178.09 3kep n THR 534 N -3.72 0.38 -1.76 0.00 -2.24 -0.52 -4.91 114.28 101.52 3kep n THR 534 Ca -0.01 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 3kep n THR 534 Cb 0.35 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 3kep n THR 534 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3kep s LYS 535 N -3.41 4.11 0.00 -0.78 2.20 -0.99 -5.07 119.74 115.81 3kep s LYS 535 Ca -0.03 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 3kep s LYS 535 Cb 0.11 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 3kep s LYS 535 CO 0.83 -0.97 0.00 -2.30 -0.36 0.00 0.00 175.35 172.55 3kep n PRO 536 N 7.48 0.00 -3.24 4.03 -0.02 -1.26 -5.04 135.00 136.95 3kep n PRO 536 Ca 0.20 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 3kep n PRO 536 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.84 3kep n PRO 536 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kep s ILE 538 N 0.00 5.04 0.00 4.25 1.01 -1.26 -4.91 121.20 125.34 3kep s ILE 538 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 60.65 61.80 3kep s ILE 538 Cb 0.00 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.58 3kep s ILE 538 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3kep n GLY 539 N 2.82 0.60 3.61 6.18 0.00 0.12 -5.03 105.19 113.50 3kep n GLY 539 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3kep n GLY 539 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kep s HIS 540 N -2.29 2.84 0.00 1.61 3.76 -1.25 -4.94 115.29 115.01 3kep s HIS 540 Ca 0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 3kep s HIS 540 Cb 0.00 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.19 3kep s HIS 540 CO 0.00 0.43 0.00 0.41 -0.85 0.00 0.00 174.74 174.73 3kep n GLY 541 N 0.82 3.39 0.92 -2.22 0.00 -1.26 -1.32 105.19 105.53 3kep n GLY 541 Ca -0.13 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.86 3kep n GLY 541 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kep n LEU 542 N 0.00 2.74 -3.69 0.99 4.77 -1.26 -3.61 117.00 116.94 3kep n LEU 542 Ca 0.00 -1.21 -0.41 0.00 -0.03 0.00 0.00 56.01 54.35 3kep n LEU 542 Cb 0.00 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3kep n LEU 542 CO 0.00 0.61 2.31 -3.20 -1.33 0.00 0.00 177.39 175.78 3kep n ASN 543 N 1.02 6.12 -4.09 -1.43 5.15 -0.43 -4.80 115.26 116.79 3kep n ASN 543 Ca 0.18 -3.04 -0.10 0.00 -0.60 0.00 0.00 54.58 51.02 3kep n ASN 543 Cb 0.48 -1.47 -0.08 0.00 -0.53 0.00 0.00 39.78 38.18 3kep n ASN 543 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3kep s VAL 544 N 0.45 0.01 0.51 3.44 -7.23 -1.26 0.11 120.40 116.43 3kep s VAL 544 Ca 0.47 -1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 58.74 3kep s VAL 544 Cb 0.13 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.73 3kep s VAL 544 CO -0.04 -0.05 1.38 -2.65 -0.31 0.00 0.00 175.10 173.43 3kep n PRO 545 N -0.31 1.89 -3.54 4.82 -0.02 -1.11 -3.84 135.00 132.88 3kep n PRO 545 Ca -0.01 0.68 -0.13 0.00 -2.02 0.00 0.00 63.50 62.02 3kep n PRO 545 Cb 0.64 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 3kep n PRO 545 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kep s ALA 546 N -1.25 -1.37 -0.16 3.55 0.00 -0.13 -1.52 121.76 120.87 3kep s ALA 546 Ca 0.68 0.56 -0.05 0.00 0.00 0.00 0.00 51.96 53.14 3kep s ALA 546 Cb -0.43 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3kep s ALA 546 CO 0.52 -0.57 0.03 0.42 0.00 0.00 0.00 175.76 176.16 3kep s ILE 547 N -2.77 4.48 -0.02 0.00 1.01 -0.39 -0.60 121.20 122.91 3kep s ILE 547 Ca -0.03 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.53 3kep s ILE 547 Cb -0.00 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 3kep s ILE 547 CO -0.04 0.50 -0.23 -0.63 0.00 0.00 0.00 174.94 174.54 3kep s ILE 548 N 0.13 1.79 -0.10 2.92 1.01 0.47 -0.15 121.20 127.27 3kep s ILE 548 Ca 0.03 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3kep s ILE 548 Cb -0.13 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.86 3kep s ILE 548 CO 0.01 0.51 -0.22 -0.89 0.00 0.00 0.00 174.94 174.35 3kep s THR 549 N -0.50 1.92 -0.04 2.92 2.01 -0.38 -0.93 115.64 120.64 3kep s THR 549 Ca 0.08 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.20 3kep s THR 549 Cb -0.09 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3kep s THR 549 CO -0.01 0.53 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.50 3kep s LEU 550 N 0.51 2.45 0.16 4.42 1.43 0.19 -0.89 118.68 126.94 3kep s LEU 550 Ca -0.15 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 3kep s LEU 550 Cb -0.17 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3kep s LEU 550 CO 0.06 0.33 0.23 -1.61 0.23 0.00 0.00 176.35 175.58 3kep s GLU 551 N -0.64 3.22 -1.43 1.70 2.02 0.18 -1.45 118.70 122.29 3kep s GLU 551 Ca 0.10 -0.72 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 3kep s GLU 551 Cb -0.11 -2.83 0.03 0.00 0.10 0.00 0.00 34.13 31.33 3kep s GLU 551 CO 0.00 0.50 1.05 0.09 0.02 0.00 0.00 175.26 176.93 3kep n ASN 552 N -0.50 -5.84 -4.67 -0.19 3.02 -0.72 -4.87 115.26 101.49 3kep n ASN 552 Ca -0.08 -0.58 -0.38 0.00 -0.03 0.00 0.00 54.58 53.51 3kep n ASN 552 Cb 0.54 -4.62 -0.08 0.00 -0.61 0.00 0.00 39.78 35.01 3kep n ASN 552 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kep s VAL 553 N -3.29 5.23 0.06 2.41 1.01 0.49 -4.93 120.40 121.38 3kep s VAL 553 Ca 0.58 0.61 -0.07 0.00 0.00 0.00 0.00 61.98 63.11 3kep s VAL 553 Cb -0.27 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3kep s VAL 553 CO 0.72 0.27 0.13 -0.31 0.00 0.00 0.00 175.10 175.91 3kep s TYR 554 N 1.22 0.21 1.14 5.22 2.02 -1.26 -4.32 117.35 121.58 3kep s TYR 554 Ca 0.17 -0.59 -0.18 0.00 -0.37 0.00 0.00 57.07 56.11 3kep s TYR 554 Cb -0.14 -0.13 0.26 0.00 -0.40 0.00 0.00 41.96 41.54 3kep s TYR 554 CO 0.07 -0.44 1.12 -1.25 -1.57 0.00 0.00 175.55 173.48 3kep s PRO 555 N -3.28 -0.75 0.53 -1.71 0.04 -1.26 -5.00 135.00 123.58 3kep s PRO 555 Ca 0.01 0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.13 3kep s PRO 555 Cb 0.03 -1.64 0.06 0.00 0.04 0.00 0.00 34.50 32.98 3kep s PRO 555 CO -0.08 -3.41 0.73 0.14 0.04 0.00 0.00 177.00 174.42 3kep s VAL 556 N -3.07 2.52 -0.22 -0.36 -7.23 -1.26 -4.52 120.40 106.26 3kep s VAL 556 Ca 0.70 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.98 3kep s VAL 556 Cb -0.11 -2.62 0.30 0.00 0.56 0.00 0.00 36.38 34.51 3kep s VAL 556 CO 0.56 0.00 1.48 1.17 -0.31 0.00 0.00 175.10 178.00 3kep n LYS 561 N -2.19 1.60 -0.98 4.82 3.00 -1.26 -5.00 118.16 118.15 3kep n LYS 561 Ca 0.12 -1.41 -0.30 0.00 -0.00 0.00 0.00 58.31 56.71 3kep n LYS 561 Cb 0.60 -1.55 0.25 0.00 0.00 0.00 0.00 35.03 34.33 3kep n LYS 561 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3kep s LYS 562 N -1.56 -1.63 0.00 1.64 2.20 -1.26 -5.23 119.74 113.89 3kep s LYS 562 Ca 0.27 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 3kep s LYS 562 Cb 0.22 -1.55 0.00 0.00 -1.51 0.00 0.00 37.83 34.99 3kep s LYS 562 CO 0.05 -3.98 0.00 -2.30 -0.36 0.00 0.00 175.35 168.76 3kep n PRO 563 N -4.94 2.42 0.00 4.03 -0.02 -1.26 -5.02 135.00 130.20 3kep n PRO 563 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3kep n PRO 563 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 3kep n PRO 563 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kep n LYS 565 N 0.00 0.00 -2.79 -0.52 5.02 -1.26 -4.99 118.16 113.61 3kep n LYS 565 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 3kep n LYS 565 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 3kep n LYS 565 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3kep s ASP 566 N 0.00 6.30 0.00 4.39 -1.08 -1.26 -4.87 116.67 120.14 3kep s ASP 566 Ca 0.00 -0.46 0.31 0.00 -0.52 0.00 0.00 52.55 51.88 3kep s ASP 566 Cb 0.00 -2.46 1.62 0.00 -1.46 0.00 0.00 42.92 40.63 3kep s ASP 566 CO 0.00 -1.36 2.09 0.35 0.52 0.00 0.00 175.17 176.77 3kep n THR 567 N 6.20 0.00 0.30 1.71 -2.24 -1.26 -1.82 114.28 117.17 3kep n THR 567 Ca 0.01 -0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 3kep n THR 567 Cb 0.47 -0.43 0.38 0.00 -2.10 0.00 0.00 70.33 68.65 3kep n THR 567 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3kep h THR 568 N 0.12 0.00 -0.91 4.28 1.35 -2.02 -3.36 112.91 112.38 3kep h THR 568 Ca 0.00 -0.74 -0.73 0.00 -0.55 0.00 0.00 66.41 64.39 3kep h THR 568 Cb 0.19 1.72 -0.10 0.00 -1.73 0.00 0.00 68.15 68.24 3kep h THR 568 CO 0.00 0.00 2.64 0.29 -0.25 0.00 0.00 175.52 178.20 3kep n LYS 569 N -2.94 4.04 -0.13 4.72 5.02 -0.75 -4.79 118.16 123.32 3kep n LYS 569 Ca 0.03 -3.18 0.07 0.00 -2.02 0.00 0.00 58.31 53.21 3kep n LYS 569 Cb 0.43 -2.79 0.39 0.00 -0.02 0.00 0.00 35.03 33.04 3kep n LYS 569 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3kep h PHE 570 N 5.09 0.66 -0.59 2.13 -5.15 -1.83 -2.41 116.94 114.83 3kep h PHE 570 Ca 0.64 0.02 -0.06 0.00 -0.20 0.00 0.00 57.97 58.37 3kep h PHE 570 Cb 0.41 -0.22 -0.02 0.00 0.22 0.00 0.00 35.95 36.34 3kep h PHE 570 CO 1.55 0.36 0.15 0.00 -2.00 0.00 0.00 178.31 178.37 3kep h ALA 571 N 1.65 0.78 -0.41 12.09 0.00 -1.96 -0.76 119.26 130.64 3kep h ALA 571 Ca 0.27 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3kep h ALA 571 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kep h ALA 571 CO -0.08 0.49 -0.29 0.93 0.00 0.00 0.00 179.25 180.30 3kep h GLU 572 N 0.86 0.90 -0.53 0.00 5.08 -1.89 -1.90 114.58 117.10 3kep h GLU 572 Ca 0.19 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3kep h GLU 572 Cb 0.35 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3kep h GLU 572 CO 0.00 1.07 0.28 0.74 -1.00 0.00 0.00 179.01 180.10 3kep h PHE 573 N 0.76 0.71 -0.64 4.33 0.04 -1.20 -2.13 116.94 118.81 3kep h PHE 573 Ca 0.09 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 3kep h PHE 573 Cb 0.85 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 3kep h PHE 573 CO 0.05 0.50 0.06 1.96 -0.60 0.00 0.00 178.31 180.29 3kep h GLN 574 N 0.73 1.09 -0.52 1.51 4.20 -0.86 0.95 115.11 122.22 3kep h GLN 574 Ca 0.19 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3kep h GLN 574 Cb 0.03 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3kep h GLN 574 CO -0.03 1.02 0.31 0.28 -0.67 0.00 0.00 178.83 179.74 3kep h VAL 575 N 1.01 1.16 -0.24 -0.54 2.07 -0.79 -1.30 116.25 117.62 3kep h VAL 575 Ca 0.19 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3kep h VAL 575 Cb 0.49 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3kep h VAL 575 CO 0.02 0.17 0.11 0.15 0.02 0.00 0.00 177.57 178.04 3kep h PHE 576 N 0.70 0.35 -0.62 1.57 3.57 -1.09 -2.38 116.94 119.04 3kep h PHE 576 Ca 0.19 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.71 3kep h PHE 576 Cb -0.00 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 3kep h PHE 576 CO -0.02 0.35 0.35 0.22 -2.23 0.00 0.00 178.31 176.98 3kep h ASP 577 N 0.25 0.55 -0.32 0.41 3.58 -0.56 -0.74 116.42 119.59 3kep h ASP 577 Ca 0.08 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 3kep h ASP 577 Cb 0.14 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 3kep h ASP 577 CO -0.01 0.37 0.14 0.03 -2.88 0.00 0.00 179.24 176.89 3kep h ARG 578 N 0.68 0.54 0.10 0.28 3.08 -1.09 0.20 114.38 118.16 3kep h ARG 578 Ca 0.26 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.25 3kep h ARG 578 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3kep h ARG 578 CO -0.14 0.46 -0.13 -0.22 -1.07 0.00 0.00 179.97 178.87 3kep h LYS 579 N 0.54 -0.26 -1.01 0.04 3.64 -0.65 -2.02 116.57 116.84 3kep h LYS 579 Ca 0.13 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3kep h LYS 579 Cb 0.14 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3kep h LYS 579 CO -0.01 -0.17 0.67 -0.07 -2.27 0.00 0.00 179.45 177.59 3kep h LEU 580 N -0.27 1.16 -1.76 5.20 3.38 -0.69 -1.93 115.31 120.40 3kep h LEU 580 Ca 0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3kep h LEU 580 Cb 0.28 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kep h LEU 580 CO -0.06 0.84 -0.16 0.03 0.09 0.00 0.00 178.44 179.18 3kep h ARG 581 N 1.37 0.00 -5.87 1.13 3.08 -0.70 -3.41 114.38 109.98 3kep h ARG 581 Ca 0.37 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.80 3kep h ARG 581 Cb -0.16 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.77 3kep h ARG 581 CO -0.08 0.16 0.47 -1.54 -1.07 0.00 0.00 179.97 177.92 3kep s SER 582 N -6.61 6.40 0.00 7.04 1.04 -0.73 -4.67 113.70 116.17 3kep s SER 582 Ca -0.03 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3kep s SER 582 Cb 0.14 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.85 3kep s SER 582 CO 0.65 -1.06 0.00 0.54 0.98 0.00 0.00 173.24 174.35 3kep n ARG 584 N 7.06 0.40 -0.66 4.02 5.12 -1.26 -5.10 116.66 126.25 3kep n ARG 584 Ca 0.03 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.83 3kep n ARG 584 Cb 0.48 -0.60 0.06 0.00 -1.16 0.00 0.00 32.46 31.23 3kep n ARG 584 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 3kep n GLU 585 N -1.27 1.61 -3.28 5.56 -0.00 -1.26 -5.06 120.64 116.94 3kep n GLU 585 Ca 0.00 -1.33 0.03 0.00 -0.00 0.00 0.00 57.16 55.86 3kep n GLU 585 Cb 0.10 -1.52 -0.02 0.00 -0.00 0.00 0.00 31.44 30.00 3kep n GLU 585 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3kep s ASN 587 N 0.16 -1.03 0.34 -1.84 0.01 0.18 -4.57 114.94 108.19 3kep s ASN 587 Ca 0.26 0.88 -0.29 0.00 -0.71 0.00 0.00 52.86 53.00 3kep s ASN 587 Cb 0.21 1.96 -0.11 0.00 0.41 0.00 0.00 41.25 43.72 3kep s ASN 587 CO 0.03 -0.19 1.53 -0.47 -1.51 0.00 0.00 177.10 176.49 3kep s TYR 588 N 2.83 2.66 -0.07 2.20 5.04 -1.26 -1.03 117.35 127.71 3kep s TYR 588 Ca 0.08 1.00 -0.04 0.00 -2.44 0.00 0.00 57.07 55.67 3kep s TYR 588 Cb -0.12 -4.05 -0.03 0.00 0.35 0.00 0.00 41.96 38.11 3kep s TYR 588 CO -0.18 -3.26 -0.10 -0.89 -1.34 0.00 0.00 175.55 169.78 3kep n ILE 589 N 1.20 0.47 -3.49 3.14 5.41 -0.38 -4.86 119.36 120.86 3kep n ILE 589 Ca 0.04 -0.09 -0.10 0.00 1.00 0.00 0.00 62.75 63.60 3kep n ILE 589 Cb 0.38 -1.62 -0.02 0.00 -0.71 0.00 0.00 39.64 37.67 3kep n ILE 589 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3kep s SER 590 N -5.72 -0.44 -0.12 4.38 1.04 -0.71 -5.00 113.70 107.14 3kep s SER 590 Ca -0.11 0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.35 3kep s SER 590 Cb 0.04 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.67 3kep s SER 590 CO 0.14 -0.70 0.23 -0.47 0.98 0.00 0.00 173.24 173.42 3kep s TYR 591 N -3.02 -0.35 -0.35 5.02 5.04 -1.25 -0.98 117.35 121.46 3kep s TYR 591 Ca 0.02 0.84 -0.09 0.00 -2.44 0.00 0.00 57.07 55.40 3kep s TYR 591 Cb -0.01 -0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.21 3kep s TYR 591 CO -0.08 -0.34 0.16 1.21 -1.34 0.00 0.00 175.55 175.15 3kep s ASN 592 N 2.38 5.53 0.58 4.32 3.84 -0.04 -4.94 114.94 126.61 3kep s ASN 592 Ca 0.02 -0.96 0.28 0.00 0.21 0.00 0.00 52.86 52.41 3kep s ASN 592 Cb -0.12 -1.96 1.67 0.00 -0.55 0.00 0.00 41.25 40.29 3kep s ASN 592 CO -0.08 -0.33 2.15 -0.65 -2.79 0.00 0.00 177.10 175.40 3kep h PRO 593 N 8.34 0.00 -5.69 0.43 0.11 -1.94 0.39 132.00 133.64 3kep h PRO 593 Ca -0.26 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.22 3kep h PRO 593 Cb 1.10 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 3kep h PRO 593 CO 0.64 0.00 1.14 -0.06 -0.21 0.00 0.00 178.00 179.50 3kep s PHE 594 N -4.69 2.73 0.00 0.65 0.08 -1.26 -3.11 117.98 112.38 3kep s PHE 594 Ca -0.05 -0.93 0.00 0.00 0.12 0.00 0.00 56.93 56.07 3kep s PHE 594 Cb 0.15 -4.51 0.00 0.00 -0.57 0.00 0.00 43.02 38.10 3kep s PHE 594 CO 0.56 -1.77 0.00 0.41 -0.10 0.00 0.00 175.22 174.33 3kep n GLY 595 N 6.11 2.57 3.36 4.36 0.00 -1.25 -4.70 105.19 115.65 3kep n GLY 595 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 3kep n GLY 595 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kep n GLY 596 N -1.05 -0.66 3.45 -0.02 0.00 0.01 -1.75 105.19 105.18 3kep n GLY 596 Ca 0.00 0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 3kep n GLY 596 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kep s THR 597 N -3.37 5.20 -0.30 2.61 2.01 -0.53 -0.38 115.64 120.88 3kep s THR 597 Ca 0.17 -0.66 -0.09 0.00 0.31 0.00 0.00 61.69 61.42 3kep s THR 597 Cb -0.02 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 3kep s THR 597 CO 0.73 -0.41 0.13 0.86 -0.69 0.00 0.00 174.62 175.24 3kep s TRP 598 N 1.81 3.16 -0.10 4.92 -0.00 -0.53 -0.86 118.94 127.33 3kep s TRP 598 Ca 0.07 -0.61 0.01 0.00 -0.00 0.00 0.00 56.10 55.57 3kep s TRP 598 Cb -0.20 -2.32 -0.02 0.00 -0.00 0.00 0.00 33.47 30.94 3kep s TRP 598 CO 0.10 -0.46 -0.13 0.99 -0.00 0.00 0.00 176.95 177.45 3kep s THR 599 N 1.60 3.06 0.22 5.86 2.01 -0.15 -0.64 115.64 127.60 3kep s THR 599 Ca 0.05 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.20 3kep s THR 599 Cb -0.17 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.10 3kep s THR 599 CO 0.05 0.55 0.53 0.72 -0.69 0.00 0.00 174.62 175.78 3kep s PHE 600 N 0.00 0.03 -0.07 4.92 -0.12 -0.10 -1.25 117.98 121.39 3kep s PHE 600 Ca -0.04 -0.40 0.03 0.00 -0.05 0.00 0.00 56.93 56.47 3kep s PHE 600 Cb -0.14 0.37 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 3kep s PHE 600 CO 0.04 -0.98 -0.14 0.21 -0.05 0.00 0.00 175.22 174.30 3kep s LYS 601 N -3.93 2.70 0.14 1.99 2.20 -0.20 -0.39 119.74 122.26 3kep s LYS 601 Ca 0.14 -0.69 0.10 0.00 -0.36 0.00 0.00 55.97 55.15 3kep s LYS 601 Cb -0.02 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 3kep s LYS 601 CO 0.02 0.53 -0.23 0.14 -0.36 0.00 0.00 175.35 175.45 3kep s VAL 602 N -0.49 2.06 -0.84 4.02 -7.23 0.24 -0.65 120.40 117.52 3kep s VAL 602 Ca 0.06 -1.80 0.25 0.00 -1.81 0.00 0.00 61.98 58.69 3kep s VAL 602 Cb -0.12 -1.89 0.05 0.00 0.56 0.00 0.00 36.38 34.99 3kep s VAL 602 CO 0.02 -0.07 1.43 0.59 -0.31 0.00 0.00 175.10 176.76 3kep n ASN 603 N 0.69 0.54 0.00 4.85 3.02 -1.26 -0.96 115.26 122.14 3kep n ASN 603 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3kep n ASN 603 Cb 0.55 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 3kep n ASN 603 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kep n HIS 604 N -1.78 0.00 -1.70 3.10 1.44 -1.25 -2.74 115.22 112.29 3kep n HIS 604 Ca 0.05 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.66 3kep n HIS 604 Cb 0.38 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.62 3kep n HIS 604 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 3kep n PHE 605 N 0.74 1.46 1.38 -1.40 3.01 -1.26 -4.90 117.46 116.49 3kep n PHE 605 Ca 0.00 -1.89 0.11 0.00 1.01 0.00 0.00 57.45 56.68 3kep n PHE 605 Cb 0.00 -0.42 0.66 0.00 -0.01 0.00 0.00 39.48 39.71 3kep n PHE 605 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16