#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3idp n TRP 450 N 0.00 0.51 -2.18 1.24 7.02 -1.26 -4.90 117.44 117.87 3idp n TRP 450 Ca 0.00 -0.32 -0.42 0.00 -1.02 0.00 0.00 57.50 55.74 3idp n TRP 450 Cb 0.00 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 3idp n TRP 450 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3idp s GLU 451 N -1.21 4.22 0.02 -0.99 2.12 -1.26 -1.09 118.70 120.51 3idp s GLU 451 Ca 0.33 1.98 -0.29 0.00 0.36 0.00 0.00 54.97 57.36 3idp s GLU 451 Cb 0.19 -3.82 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 3idp s GLU 451 CO 0.26 -0.74 0.92 0.42 -0.54 0.00 0.00 175.26 175.57 3idp s ILE 452 N 3.50 4.80 0.43 -3.70 1.01 0.41 -4.91 121.20 122.73 3idp s ILE 452 Ca 0.66 1.94 -0.24 0.00 0.00 0.00 0.00 60.65 63.00 3idp s ILE 452 Cb -0.29 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 37.81 3idp s ILE 452 CO 0.24 0.22 1.10 -2.65 0.00 0.00 0.00 174.94 173.85 3idp n PRO 453 N 3.54 1.52 -1.67 2.79 -0.02 -1.26 -4.78 135.00 135.12 3idp n PRO 453 Ca 0.03 0.54 -0.45 0.00 -2.02 0.00 0.00 63.50 61.61 3idp n PRO 453 Cb 0.51 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 3idp n PRO 453 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3idp n ASP 454 N 0.36 2.83 -0.45 2.55 10.43 -1.26 -3.18 116.55 127.83 3idp n ASP 454 Ca 0.09 1.13 -0.06 0.00 2.57 0.00 0.00 54.79 58.52 3idp n ASP 454 Cb 0.39 -1.43 -0.03 0.00 1.84 0.00 0.00 41.12 41.90 3idp n ASP 454 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3idp n GLY 455 N 2.35 0.83 0.09 0.44 0.00 -1.26 -4.91 105.19 102.73 3idp n GLY 455 Ca 0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 3idp n GLY 455 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3idp n GLN 456 N -2.65 0.63 -2.90 1.61 6.02 -1.19 -4.86 117.38 114.04 3idp n GLN 456 Ca -0.06 0.24 -0.42 0.00 -0.01 0.00 0.00 57.00 56.75 3idp n GLN 456 Cb 0.22 -1.79 -0.04 0.00 1.02 0.00 0.00 30.24 29.64 3idp n GLN 456 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3idp s ILE 457 N -2.80 4.76 -0.51 5.09 1.01 -1.26 -4.76 121.20 122.73 3idp s ILE 457 Ca -0.04 1.29 -0.19 0.00 0.00 0.00 0.00 60.65 61.71 3idp s ILE 457 Cb 0.08 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.43 3idp s ILE 457 CO 0.82 -0.27 0.64 -0.89 0.00 0.00 0.00 174.94 175.25 3idp s THR 458 N 3.04 4.85 0.18 2.92 2.01 -0.79 -4.94 115.64 122.90 3idp s THR 458 Ca 0.34 -0.47 -0.31 0.00 0.31 0.00 0.00 61.69 61.57 3idp s THR 458 Cb -0.14 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 67.96 3idp s THR 458 CO 0.12 -0.83 1.41 -0.69 -0.69 0.00 0.00 174.62 173.94 3idp s VAL 459 N 2.70 3.02 0.00 3.82 1.01 -1.26 -1.06 120.40 128.63 3idp s VAL 459 Ca 0.16 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.92 3idp s VAL 459 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3idp s VAL 459 CO 0.12 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3idp n GLY 460 N 2.94 1.67 3.77 4.51 0.00 0.14 -4.95 105.19 113.27 3idp n GLY 460 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3idp n GLY 460 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3idp s GLN 461 N 3.76 4.15 -0.15 1.61 2.00 -1.19 -4.77 119.66 125.07 3idp s GLN 461 Ca 0.00 1.89 -0.29 0.00 -2.00 0.00 0.00 55.36 54.96 3idp s GLN 461 Cb 0.00 -2.78 -0.01 0.00 0.80 0.00 0.00 33.01 31.02 3idp s GLN 461 CO 0.00 -0.25 1.12 0.50 -0.50 0.00 0.00 175.29 176.15 3idp s ARG 462 N -2.15 4.31 -0.18 1.67 3.52 -1.26 -1.13 118.95 123.74 3idp s ARG 462 Ca 0.55 1.50 -0.03 0.00 -0.13 0.00 0.00 55.73 57.62 3idp s ARG 462 Cb -0.32 -3.63 -0.22 0.00 -1.56 0.00 0.00 34.95 29.22 3idp s ARG 462 CO 0.41 -0.53 0.12 -0.89 -0.81 0.00 0.00 175.30 173.60 3idp n ILE 463 N 4.99 1.66 -3.56 4.11 2.08 0.12 -4.92 119.36 123.84 3idp n ILE 463 Ca 0.11 -0.62 -0.06 0.00 0.56 0.00 0.00 62.75 62.74 3idp n ILE 463 Cb 0.46 -1.61 -0.02 0.00 -0.75 0.00 0.00 39.64 37.73 3idp n ILE 463 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3idp s GLY 464 N -5.97 -0.39 -0.03 7.39 0.00 -1.02 -4.98 107.32 102.32 3idp s GLY 464 Ca -0.28 1.06 -0.15 0.00 0.00 0.00 0.00 44.72 45.36 3idp s GLY 464 CO 0.70 0.34 0.32 -1.35 0.00 0.00 0.00 173.10 173.11 3idp s SER 465 N -2.48 -0.22 0.00 1.64 1.04 -1.26 0.11 113.70 112.53 3idp s SER 465 Ca 0.07 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3idp s SER 465 Cb -0.01 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3idp s SER 465 CO -0.06 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.36 3idp n GLY 466 N 1.48 4.14 0.21 7.32 0.00 0.46 -4.98 105.19 113.83 3idp n GLY 466 Ca -0.20 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.16 3idp n GLY 466 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3idp h SER 467 N 0.00 0.00 -1.46 1.61 0.02 -1.92 -3.31 113.55 108.49 3idp h SER 467 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3idp h SER 467 Cb 0.00 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.12 3idp h SER 467 CO 0.00 0.28 -0.75 0.49 -1.14 0.00 0.00 176.83 175.70 3idp n PHE 468 N -3.89 3.29 0.00 3.45 3.01 -0.95 -5.04 117.46 117.33 3idp n PHE 468 Ca -0.02 -3.07 0.00 0.00 1.01 0.00 0.00 57.45 55.38 3idp n PHE 468 Cb 0.36 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 3idp n PHE 468 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3idp n GLY 469 N -0.47 4.09 2.99 1.37 0.00 -1.25 -4.81 105.19 107.11 3idp n GLY 469 Ca 0.38 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.58 3idp n GLY 469 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3idp s THR 470 N -2.27 0.77 -0.09 2.61 2.01 -1.09 -0.40 115.64 117.18 3idp s THR 470 Ca 0.00 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3idp s THR 470 Cb 0.00 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 3idp s THR 470 CO 0.00 0.24 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.41 3idp s VAL 471 N 0.24 3.60 0.05 3.82 1.01 0.12 -0.96 120.40 128.28 3idp s VAL 471 Ca -0.04 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3idp s VAL 471 Cb -0.09 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3idp s VAL 471 CO 0.01 0.57 -0.21 -0.31 0.00 0.00 0.00 175.10 175.15 3idp s TYR 472 N -0.42 1.85 0.10 5.22 1.51 -0.04 0.11 117.35 125.67 3idp s TYR 472 Ca 0.06 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.44 3idp s TYR 472 Cb -0.12 -1.09 -0.06 0.00 -0.11 0.00 0.00 41.96 40.58 3idp s TYR 472 CO 0.02 0.11 1.15 0.21 -1.11 0.00 0.00 175.55 175.94 3idp s LYS 473 N -1.29 4.49 0.14 -0.62 2.20 -0.28 -0.92 119.74 123.47 3idp s LYS 473 Ca 0.08 1.74 0.02 0.00 -0.36 0.00 0.00 55.97 57.45 3idp s LYS 473 Cb -0.09 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3idp s LYS 473 CO 0.02 -0.13 0.08 0.41 -0.36 0.00 0.00 175.35 175.37 3idp n GLY 474 N 2.76 3.69 2.89 5.54 0.00 -0.21 -0.69 105.19 119.18 3idp n GLY 474 Ca 0.06 -1.88 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 3idp n GLY 474 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3idp s LYS 475 N -2.56 1.34 -0.33 1.61 -0.14 -0.23 -2.56 119.74 116.88 3idp s LYS 475 Ca 0.11 -0.20 0.05 0.00 -1.36 0.00 0.00 55.97 54.58 3idp s LYS 475 Cb 0.01 -1.42 0.18 0.00 -1.68 0.00 0.00 37.83 34.91 3idp s LYS 475 CO 0.08 -0.24 0.52 -0.46 -0.76 0.00 0.00 175.35 174.49 3idp s TRP 476 N 1.62 -1.36 -1.30 3.18 -0.00 -1.26 -1.89 118.94 117.93 3idp s TRP 476 Ca 0.02 0.38 -0.03 0.00 -0.00 0.00 0.00 56.10 56.47 3idp s TRP 476 Cb -0.13 0.08 0.01 0.00 -0.00 0.00 0.00 33.47 33.43 3idp s TRP 476 CO -0.06 -1.07 0.94 0.72 -0.00 0.00 0.00 176.95 177.48 3idp n HIS 477 N 4.97 -2.25 0.00 5.86 8.25 -1.26 -4.75 115.22 126.05 3idp n HIS 477 Ca 0.06 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.44 3idp n HIS 477 Cb 0.52 -4.76 0.00 0.00 1.12 0.00 0.00 29.99 26.87 3idp n HIS 477 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3idp n GLY 478 N -1.48 -0.63 3.73 -1.41 0.00 -1.26 -5.00 105.19 99.14 3idp n GLY 478 Ca -0.20 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 3idp n GLY 478 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3idp s ASP 479 N -3.90 6.91 0.17 1.61 1.01 -1.26 -4.32 116.67 116.88 3idp s ASP 479 Ca 0.00 2.35 0.01 0.00 0.71 0.00 0.00 52.55 55.63 3idp s ASP 479 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3idp s ASP 479 CO 0.00 -0.53 0.02 0.68 0.21 0.00 0.00 175.17 175.54 3idp s VAL 480 N 0.31 0.56 -0.11 -1.27 -7.23 -1.06 -3.51 120.40 108.10 3idp s VAL 480 Ca 0.58 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 3idp s VAL 480 Cb -0.36 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 3idp s VAL 480 CO 0.36 -0.46 0.06 0.00 -0.31 0.00 0.00 175.10 174.76 3idp s ALA 481 N -3.74 3.55 -0.15 1.32 0.00 0.12 -1.04 121.76 121.82 3idp s ALA 481 Ca 0.24 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3idp s ALA 481 Cb 0.06 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.49 3idp s ALA 481 CO 0.04 0.58 -0.16 0.08 0.00 0.00 0.00 175.76 176.30 3idp s VAL 482 N -0.88 1.73 -0.21 0.00 1.01 -0.10 -0.75 120.40 121.19 3idp s VAL 482 Ca 0.13 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 3idp s VAL 482 Cb -0.12 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3idp s VAL 482 CO 0.03 0.48 0.09 -0.75 0.00 0.00 0.00 175.10 174.96 3idp s LYS 483 N 1.33 3.96 0.46 2.72 2.20 0.13 -0.86 119.74 129.68 3idp s LYS 483 Ca 0.03 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 3idp s LYS 483 Cb -0.13 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 3idp s LYS 483 CO -0.10 0.13 0.06 1.41 -0.36 0.00 0.00 175.35 176.50 3idp s MET 484 N 0.78 2.07 -0.35 4.03 1.75 -0.13 0.20 119.30 127.64 3idp s MET 484 Ca 0.05 -2.29 -0.01 0.00 -1.25 0.00 0.00 55.69 52.18 3idp s MET 484 Cb -0.13 -1.11 0.08 0.00 2.84 0.00 0.00 34.83 36.51 3idp s MET 484 CO 0.02 -0.41 0.10 -1.17 -0.65 0.00 0.00 175.02 172.91 3idp s LEU 485 N -3.75 4.61 0.06 4.11 2.96 -1.07 -2.66 118.68 122.94 3idp s LEU 485 Ca 0.15 -1.72 -0.02 0.00 -0.22 0.00 0.00 54.13 52.32 3idp s LEU 485 Cb 0.02 -1.75 0.11 0.00 0.50 0.00 0.00 46.19 45.07 3idp s LEU 485 CO 0.09 -0.40 0.34 0.59 -1.32 0.00 0.00 176.35 175.65 3idp n ASN 486 N 4.56 -0.07 -4.44 3.68 3.02 -1.26 -4.47 115.26 116.28 3idp n ASN 486 Ca -0.06 0.37 -0.22 0.00 -0.03 0.00 0.00 54.58 54.65 3idp n ASN 486 Cb 0.42 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.37 3idp n ASN 486 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3idp s VAL 487 N -5.24 1.86 0.26 2.41 1.01 -1.26 -5.13 120.40 114.31 3idp s VAL 487 Ca -0.03 -2.19 0.09 0.00 0.00 0.00 0.00 61.98 59.85 3idp s VAL 487 Cb 0.06 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 3idp s VAL 487 CO 0.17 -0.36 -0.14 0.42 0.00 0.00 0.00 175.10 175.20 3idp s THR 488 N -2.88 1.99 0.37 3.92 -4.23 -1.26 -4.58 115.64 108.97 3idp s THR 488 Ca 0.29 -2.25 -0.12 0.00 -1.18 0.00 0.00 61.69 58.43 3idp s THR 488 Cb 0.02 -2.27 -0.07 0.00 1.34 0.00 0.00 72.50 71.51 3idp s THR 488 CO 0.12 -0.43 0.75 0.00 -0.54 0.00 0.00 174.62 174.52 3idp s ALA 489 N -2.81 3.34 0.31 3.99 0.00 -1.26 -5.13 121.76 120.21 3idp s ALA 489 Ca 0.27 -0.12 -0.28 0.00 0.00 0.00 0.00 51.96 51.83 3idp s ALA 489 Cb -0.01 -2.72 -0.10 0.00 0.00 0.00 0.00 23.12 20.30 3idp s ALA 489 CO 0.11 0.12 1.16 -1.25 0.00 0.00 0.00 175.76 175.90 3idp s PRO 490 N -3.53 4.47 0.82 0.00 0.04 -1.26 -5.04 135.00 130.49 3idp s PRO 490 Ca 0.52 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.36 3idp s PRO 490 Cb -0.10 -3.06 0.08 0.00 0.04 0.00 0.00 34.50 31.46 3idp s PRO 490 CO 0.26 0.02 1.10 0.95 0.04 0.00 0.00 177.00 179.38 3idp s THR 491 N -1.21 2.99 0.63 1.26 -4.23 -1.26 -4.80 115.64 109.01 3idp s THR 491 Ca 0.48 0.32 0.34 0.00 -1.18 0.00 0.00 61.69 61.65 3idp s THR 491 Cb -0.33 -2.70 0.37 0.00 1.34 0.00 0.00 72.50 71.17 3idp s THR 491 CO 0.43 -0.42 2.15 -0.65 -0.54 0.00 0.00 174.62 175.59 3idp h PRO 492 N -1.34 0.00 0.63 3.99 0.11 -1.99 -1.83 132.00 131.57 3idp h PRO 492 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3idp h PRO 492 Cb 1.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.36 3idp h PRO 492 CO 0.49 0.00 -0.30 0.37 -0.21 0.00 0.00 178.00 178.35 3idp h GLN 493 N 0.00 -0.81 -0.98 1.05 5.75 -1.99 -2.27 115.11 115.86 3idp h GLN 493 Ca 0.04 0.06 0.10 0.00 -0.15 0.00 0.00 58.65 58.69 3idp h GLN 493 Cb 0.35 0.18 -0.08 0.00 1.07 0.00 0.00 27.48 29.01 3idp h GLN 493 CO -0.00 -0.54 0.62 1.96 -2.65 0.00 0.00 178.83 178.22 3idp h GLN 494 N -1.23 1.01 -0.78 1.69 4.20 -1.82 -0.31 115.11 117.88 3idp h GLN 494 Ca -0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3idp h GLN 494 Cb 0.64 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 3idp h GLN 494 CO 0.14 0.67 0.45 1.25 -0.67 0.00 0.00 178.83 180.67 3idp h LEU 495 N 1.04 0.94 -0.20 1.46 5.85 -1.41 -0.37 115.31 122.63 3idp h LEU 495 Ca 0.46 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 59.02 3idp h LEU 495 Cb 0.34 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3idp h LEU 495 CO -0.23 0.74 -0.27 -0.61 -0.34 0.00 0.00 178.44 177.74 3idp h GLN 496 N 1.08 0.53 -0.79 1.25 5.75 -0.52 -1.57 115.11 120.83 3idp h GLN 496 Ca 0.28 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3idp h GLN 496 Cb -0.01 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3idp h GLN 496 CO -0.05 0.90 0.46 0.00 -2.65 0.00 0.00 178.83 177.50 3idp h ALA 497 N 0.62 1.32 -0.29 3.38 0.00 -0.87 0.11 119.26 123.53 3idp h ALA 497 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3idp h ALA 497 Cb 0.84 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3idp h ALA 497 CO 0.06 0.57 0.14 0.35 0.00 0.00 0.00 179.25 180.37 3idp h PHE 498 N 1.10 0.42 -0.09 0.00 3.57 -1.05 -1.98 116.94 118.91 3idp h PHE 498 Ca 0.28 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 3idp h PHE 498 Cb -0.02 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3idp h PHE 498 CO 0.01 0.39 -0.34 0.87 -2.23 0.00 0.00 178.31 177.00 3idp h LYS 499 N 0.33 0.18 0.01 1.11 1.57 -0.55 -2.27 116.57 116.96 3idp h LYS 499 Ca 0.10 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3idp h LYS 499 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3idp h LYS 499 CO -0.01 0.51 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.46 3idp h ASN 500 N 0.16 -0.02 0.52 0.86 2.35 -0.69 0.44 115.58 119.19 3idp h ASN 500 Ca 0.02 -0.52 -0.03 0.00 -0.55 0.00 0.00 56.30 55.22 3idp h ASN 500 Cb 0.69 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.07 3idp h ASN 500 CO 0.05 0.52 -0.25 -0.08 -1.65 0.00 0.00 177.43 176.02 3idp h GLU 501 N -0.56 -0.67 -0.78 0.81 4.81 -1.35 -0.36 114.58 116.48 3idp h GLU 501 Ca -0.00 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.43 3idp h GLU 501 Cb 0.54 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 29.97 3idp h GLU 501 CO 0.00 -0.44 0.32 0.28 -0.73 0.00 0.00 179.01 178.44 3idp h VAL 502 N -0.71 0.63 -0.91 0.32 2.07 -1.52 0.24 116.25 116.37 3idp h VAL 502 Ca -0.07 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 67.43 3idp h VAL 502 Cb 0.54 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 3idp h VAL 502 CO 0.12 0.08 0.53 1.23 0.02 0.00 0.00 177.57 179.54 3idp h GLY 503 N 0.44 1.51 0.96 2.17 0.00 -0.33 -1.31 103.07 106.51 3idp h GLY 503 Ca 0.44 -0.33 -0.22 0.00 0.00 0.00 0.00 47.33 47.22 3idp h GLY 503 CO -0.42 0.04 -0.91 -2.08 0.00 0.00 0.00 176.54 173.17 3idp h VAL 504 N 0.78 1.38 -0.37 4.60 2.07 0.46 -3.36 116.25 121.81 3idp h VAL 504 Ca 0.48 -2.31 -0.11 0.00 0.82 0.00 0.00 66.70 65.58 3idp h VAL 504 Cb 0.60 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3idp h VAL 504 CO -0.32 0.68 -0.20 -0.07 0.02 0.00 0.00 177.57 177.68 3idp h LEU 505 N 0.02 0.72 -0.29 2.57 3.38 -0.18 -2.62 115.31 118.92 3idp h LEU 505 Ca -0.13 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3idp h LEU 505 Cb 1.62 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3idp h LEU 505 CO 0.17 0.92 0.00 -2.11 0.09 0.00 0.00 178.44 177.51 3idp n ARG 506 N -4.12 0.04 0.00 1.13 1.85 -0.53 -1.30 116.66 113.72 3idp n ARG 506 Ca 0.00 0.44 0.12 0.00 -1.00 0.00 0.00 57.85 57.41 3idp n ARG 506 Cb 0.41 -1.61 0.20 0.00 -1.05 0.00 0.00 32.46 30.41 3idp n ARG 506 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3idp n LYS 507 N -1.69 0.99 -3.82 2.89 5.02 -0.98 -4.92 118.16 115.64 3idp n LYS 507 Ca 0.01 -0.72 -0.36 0.00 -2.02 0.00 0.00 58.31 55.22 3idp n LYS 507 Cb 0.08 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.48 3idp n LYS 507 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3idp s THR 508 N -2.50 4.32 -0.42 -0.18 -4.23 -0.42 -5.02 115.64 107.19 3idp s THR 508 Ca 0.21 -0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 3idp s THR 508 Cb 0.19 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 71.19 3idp s THR 508 CO 0.55 0.36 0.38 -0.13 -0.54 0.00 0.00 174.62 175.24 3idp s ARG 509 N 1.42 0.88 -0.10 3.99 0.52 -1.26 -4.77 118.95 119.63 3idp s ARG 509 Ca 0.05 -1.87 -0.13 0.00 -0.52 0.00 0.00 55.73 53.26 3idp s ARG 509 Cb -0.15 -1.20 0.03 0.00 0.52 0.00 0.00 34.95 34.15 3idp s ARG 509 CO 0.03 -1.36 0.35 -1.58 0.02 0.00 0.00 175.30 172.76 3idp s HIS 510 N 0.30 -0.34 0.13 -0.53 2.46 -1.26 -5.05 115.29 111.01 3idp s HIS 510 Ca 0.31 0.76 0.32 0.00 0.47 0.00 0.00 55.06 56.92 3idp s HIS 510 Cb 0.00 0.13 1.66 0.00 -0.13 0.00 0.00 32.58 34.24 3idp s HIS 510 CO -0.16 -0.25 1.98 -0.24 -2.47 0.00 0.00 174.74 173.61 3idp h VAL 511 N 4.35 0.00 -0.60 0.89 3.04 -1.99 -1.83 116.25 120.11 3idp h VAL 511 Ca -0.27 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3idp h VAL 511 Cb 1.18 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 3idp h VAL 511 CO 0.32 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.47 3idp n ASN 512 N -2.68 3.88 -4.14 3.17 5.03 -1.26 -4.74 115.26 114.52 3idp n ASN 512 Ca -0.01 -2.14 -0.30 0.00 0.87 0.00 0.00 54.58 53.00 3idp n ASN 512 Cb 0.11 -0.45 -0.17 0.00 -1.02 0.00 0.00 39.78 38.26 3idp n ASN 512 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3idp s ILE 513 N -1.26 1.80 -0.08 2.41 -1.09 -0.69 -0.42 121.20 121.88 3idp s ILE 513 Ca 0.43 -0.85 -0.39 0.00 -2.23 0.00 0.00 60.65 57.61 3idp s ILE 513 Cb 0.24 -1.59 -0.18 0.00 -1.58 0.00 0.00 42.46 39.35 3idp s ILE 513 CO 0.26 0.50 1.38 -0.11 -1.23 0.00 0.00 174.94 175.75 3idp n LEU 514 N 3.87 1.30 -4.63 2.97 7.94 -0.97 -4.69 117.00 122.79 3idp n LEU 514 Ca -0.20 1.13 -0.43 0.00 -1.11 0.00 0.00 56.01 55.40 3idp n LEU 514 Cb 0.52 -1.07 -0.02 0.00 0.53 0.00 0.00 43.42 43.37 3idp n LEU 514 CO 0.26 -1.13 1.32 -0.22 -1.11 0.00 0.00 177.39 176.51 3idp s LEU 515 N 1.27 3.93 0.24 -1.96 2.96 -1.26 -4.96 118.68 118.89 3idp s LEU 515 Ca 0.91 1.59 -0.30 0.00 -0.22 0.00 0.00 54.13 56.11 3idp s LEU 515 Cb -1.13 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 41.94 3idp s LEU 515 CO 0.57 -1.19 1.06 0.12 -1.32 0.00 0.00 176.35 175.60 3idp s PHE 516 N 4.93 3.67 -0.03 5.38 5.36 -1.26 -1.24 117.98 134.79 3idp s PHE 516 Ca 0.68 1.72 0.01 0.00 -0.96 0.00 0.00 56.93 58.38 3idp s PHE 516 Cb -0.24 -3.22 -0.03 0.00 -0.34 0.00 0.00 43.02 39.20 3idp s PHE 516 CO 0.28 -0.35 -0.01 -1.33 -1.46 0.00 0.00 175.22 172.35 3idp n MET 517 N 1.65 2.17 0.00 10.12 2.81 0.04 -4.89 117.12 129.02 3idp n MET 517 Ca -0.00 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3idp n MET 517 Cb 0.46 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 3idp n MET 517 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3idp n GLY 518 N 3.04 -0.22 3.21 3.03 0.00 -1.09 -4.95 105.19 108.22 3idp n GLY 518 Ca -0.05 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 3idp n GLY 518 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3idp s TYR 519 N -2.00 1.06 0.06 1.61 -0.85 -0.25 -0.19 117.35 116.79 3idp s TYR 519 Ca 0.00 -0.94 0.02 0.00 -0.52 0.00 0.00 57.07 55.63 3idp s TYR 519 Cb 0.00 -0.60 -0.03 0.00 0.38 0.00 0.00 41.96 41.71 3idp s TYR 519 CO 0.00 -0.15 -0.08 0.45 -1.52 0.00 0.00 175.55 174.25 3idp s SER 520 N -3.11 0.98 -0.00 -0.18 0.15 -0.59 -0.45 113.70 110.50 3idp s SER 520 Ca 0.17 -0.66 0.01 0.00 0.70 0.00 0.00 55.95 56.18 3idp s SER 520 Cb 0.05 0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 3idp s SER 520 CO -0.01 -0.25 0.03 0.35 1.20 0.00 0.00 173.24 174.57 3idp n THR 521 N 1.12 0.00 -4.36 6.45 -2.24 -1.24 -0.55 114.28 113.45 3idp n THR 521 Ca -0.20 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 60.97 3idp n THR 521 Cb 0.56 0.80 -0.16 0.00 -2.10 0.00 0.00 70.33 69.42 3idp n THR 521 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3idp s LYS 522 N -1.47 2.64 0.10 -0.78 3.01 -1.26 -2.89 119.74 119.09 3idp s LYS 522 Ca 0.00 -0.70 0.26 0.00 -1.01 0.00 0.00 55.97 54.51 3idp s LYS 522 Cb 0.01 -2.24 0.68 0.00 -1.01 0.00 0.00 37.83 35.26 3idp s LYS 522 CO 0.04 -0.11 1.58 -0.35 0.51 0.00 0.00 175.35 177.02 3idp n PRO 523 N 4.37 0.18 -4.17 -1.68 -0.05 -1.26 -4.45 135.00 127.93 3idp n PRO 523 Ca -0.19 0.09 -0.11 0.00 -0.05 0.00 0.00 63.50 63.24 3idp n PRO 523 Cb 0.51 -1.65 -0.10 0.00 -0.05 0.00 0.00 33.50 32.21 3idp n PRO 523 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 175.50 176.59 3idp s GLN 524 N -3.09 1.14 0.04 0.54 -2.07 -1.14 -5.02 119.66 110.07 3idp s GLN 524 Ca 0.10 -1.55 -0.31 0.00 -1.82 0.00 0.00 55.36 51.78 3idp s GLN 524 Cb 0.15 0.27 -0.07 0.00 -1.09 0.00 0.00 33.01 32.28 3idp s GLN 524 CO 0.65 -0.37 1.42 -0.51 -1.32 0.00 0.00 175.29 175.15 3idp s LEU 525 N -3.12 4.34 -0.04 2.60 1.43 -1.25 -3.68 118.68 118.96 3idp s LEU 525 Ca 0.34 2.21 -0.07 0.00 -1.03 0.00 0.00 54.13 55.59 3idp s LEU 525 Cb 0.07 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.73 3idp s LEU 525 CO 0.09 -0.71 0.16 0.00 0.23 0.00 0.00 176.35 176.12 3idp s ALA 526 N 1.99 -0.40 -0.13 4.21 0.00 0.29 -2.61 121.76 125.11 3idp s ALA 526 Ca 0.65 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.92 3idp s ALA 526 Cb -0.34 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3idp s ALA 526 CO 0.28 -0.13 -0.19 0.42 0.00 0.00 0.00 175.76 176.15 3idp s ILE 527 N -0.40 1.81 -0.16 0.00 1.01 0.13 -1.54 121.20 122.04 3idp s ILE 527 Ca -0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 3idp s ILE 527 Cb -0.03 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 3idp s ILE 527 CO 0.01 0.50 -0.05 -0.69 0.00 0.00 0.00 174.94 174.71 3idp s VAL 528 N 0.88 3.71 0.28 2.92 1.01 0.73 0.18 120.40 130.12 3idp s VAL 528 Ca -0.07 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.55 3idp s VAL 528 Cb -0.15 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 3idp s VAL 528 CO -0.02 0.49 -0.03 0.42 0.00 0.00 0.00 175.10 175.96 3idp s THR 529 N 0.45 1.50 0.62 3.92 -4.23 0.07 -0.78 115.64 117.19 3idp s THR 529 Ca -0.05 -2.09 -0.17 0.00 -1.18 0.00 0.00 61.69 58.20 3idp s THR 529 Cb -0.15 -2.48 -0.07 0.00 1.34 0.00 0.00 72.50 71.14 3idp s THR 529 CO 0.03 -0.26 0.52 0.00 -0.54 0.00 0.00 174.62 174.37 3idp n GLN 530 N -0.58 0.46 -3.32 3.99 10.64 -0.38 0.12 117.38 128.31 3idp n GLN 530 Ca -0.05 0.19 -0.38 0.00 -1.83 0.00 0.00 57.00 54.92 3idp n GLN 530 Cb 0.64 -1.74 -0.07 0.00 -0.86 0.00 0.00 30.24 28.21 3idp n GLN 530 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.06 174.77 3idp s TRP 531 N -1.77 3.40 -0.16 2.61 -0.11 -1.23 -3.77 118.94 117.92 3idp s TRP 531 Ca 0.68 0.73 -0.05 0.00 1.22 0.00 0.00 56.10 58.68 3idp s TRP 531 Cb -0.41 -2.58 -0.03 0.00 -1.50 0.00 0.00 33.47 28.94 3idp s TRP 531 CO 0.55 -0.00 -0.00 0.00 -4.62 0.00 0.00 176.95 172.88 3idp s GLU 533 N 0.25 4.05 0.00 0.00 2.56 -1.26 -4.93 118.70 119.38 3idp s GLU 533 Ca -0.00 0.66 0.00 0.00 0.00 0.00 0.00 54.97 55.63 3idp s GLU 533 Cb -0.13 -2.66 0.00 0.00 2.00 0.00 0.00 34.13 33.34 3idp s GLU 533 CO 0.02 0.29 0.00 0.41 -0.56 0.00 0.00 175.26 175.42 3idp n GLY 534 N 0.15 0.38 3.57 -1.50 0.00 -1.26 -0.47 105.19 106.06 3idp n GLY 534 Ca 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 3idp n GLY 534 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3idp s SER 535 N -4.00 -0.13 0.76 1.61 1.04 -1.22 -4.98 113.70 106.77 3idp s SER 535 Ca 0.00 -0.79 -0.11 0.00 0.48 0.00 0.00 55.95 55.53 3idp s SER 535 Cb 0.00 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.75 3idp s SER 535 CO 0.00 -1.11 1.08 -0.94 0.98 0.00 0.00 173.24 173.25 3idp s SER 536 N -2.97 4.70 0.22 7.02 1.04 -1.26 -0.68 113.70 121.77 3idp s SER 536 Ca 0.18 1.76 -0.08 0.00 0.48 0.00 0.00 55.95 58.29 3idp s SER 536 Cb -0.01 -2.50 0.29 0.00 0.10 0.00 0.00 66.02 63.90 3idp s SER 536 CO 0.05 -1.90 1.81 0.25 0.98 0.00 0.00 173.24 174.42 3idp h LEU 537 N -1.04 0.57 -0.50 2.42 5.85 -0.09 -2.28 115.31 120.25 3idp h LEU 537 Ca -0.44 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.39 3idp h LEU 537 Cb 1.23 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 3idp h LEU 537 CO 0.53 0.35 0.15 0.22 -0.34 0.00 0.00 178.44 179.35 3idp h TYR 538 N 0.70 0.26 -0.30 1.25 3.20 -1.51 -1.77 116.97 118.81 3idp h TYR 538 Ca 0.33 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.25 3idp h TYR 538 Cb 0.25 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3idp h TYR 538 CO -0.08 0.06 0.15 1.25 -1.64 0.00 0.00 178.16 177.91 3idp h HIS 539 N 0.31 0.28 -0.71 -3.82 2.76 -1.73 -1.58 115.15 110.66 3idp h HIS 539 Ca 0.24 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 3idp h HIS 539 Cb 0.28 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 3idp h HIS 539 CO -0.18 0.15 0.36 0.45 -1.30 0.00 0.00 177.93 177.41 3idp h HIS 540 N 0.31 1.01 0.18 5.26 3.86 -1.05 -0.96 115.15 123.77 3idp h HIS 540 Ca 0.12 -0.04 -0.35 0.00 -1.16 0.00 0.00 60.37 58.94 3idp h HIS 540 Cb 0.04 -0.32 0.01 0.00 1.06 0.00 0.00 27.41 28.20 3idp h HIS 540 CO -0.10 0.73 -1.75 -0.07 0.86 0.00 0.00 177.93 177.61 3idp h LEU 541 N 0.99 0.60 -0.42 2.43 3.38 -1.17 0.98 115.31 122.11 3idp h LEU 541 Ca 0.25 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3idp h LEU 541 Cb 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3idp h LEU 541 CO -0.03 1.77 -0.23 1.41 0.09 0.00 0.00 178.44 181.45 3idp n HIS 542 N -3.58 0.00 0.01 1.13 8.25 -0.61 -4.10 115.22 116.31 3idp n HIS 542 Ca -0.25 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.21 3idp n HIS 542 Cb 1.07 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.18 3idp n HIS 542 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3idp n ILE 543 N -0.65 0.26 0.56 1.59 5.41 -0.91 -4.80 119.36 120.83 3idp n ILE 543 Ca 0.02 0.08 0.08 0.00 1.00 0.00 0.00 62.75 63.93 3idp n ILE 543 Cb 0.14 -1.52 0.09 0.00 -0.71 0.00 0.00 39.64 37.63 3idp n ILE 543 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3idp n ILE 544 N -3.12 0.13 -3.95 1.39 -5.35 -0.41 -5.01 119.36 103.03 3idp n ILE 544 Ca -0.01 -0.56 -0.33 0.00 -0.27 0.00 0.00 62.75 61.58 3idp n ILE 544 Cb 0.41 1.23 -0.00 0.00 -1.74 0.00 0.00 39.64 39.54 3idp n ILE 544 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3idp n GLU 545 N 0.92 -1.60 -2.07 6.28 1.02 -0.25 -4.89 120.64 120.04 3idp n GLU 545 Ca 0.10 0.29 -0.42 0.00 -0.02 0.00 0.00 57.16 57.12 3idp n GLU 545 Cb 0.42 -3.79 -0.03 0.00 -0.02 0.00 0.00 31.44 28.02 3idp n GLU 545 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3idp s THR 546 N -3.77 3.21 -0.64 2.62 2.01 0.32 -4.98 115.64 114.42 3idp s THR 546 Ca 0.26 0.76 -0.18 0.00 0.31 0.00 0.00 61.69 62.84 3idp s THR 546 Cb -0.12 -3.49 0.12 0.00 0.01 0.00 0.00 72.50 69.03 3idp s THR 546 CO 0.92 0.03 0.72 -0.54 -0.69 0.00 0.00 174.62 175.06 3idp s LYS 547 N 1.89 3.14 0.36 4.92 3.01 -1.26 -4.73 119.74 127.06 3idp s LYS 547 Ca 0.68 -1.51 -0.18 0.00 -1.01 0.00 0.00 55.97 53.95 3idp s LYS 547 Cb -0.37 -4.34 -0.10 0.00 -1.01 0.00 0.00 37.83 32.01 3idp s LYS 547 CO 0.30 -1.52 0.84 -0.06 0.51 0.00 0.00 175.35 175.42 3idp s PHE 548 N 2.33 3.38 0.70 3.18 0.40 -1.26 -5.07 117.98 121.64 3idp s PHE 548 Ca 0.13 1.43 -0.15 0.00 -0.60 0.00 0.00 56.93 57.74 3idp s PHE 548 Cb -0.22 -2.70 0.02 0.00 0.51 0.00 0.00 43.02 40.64 3idp s PHE 548 CO 0.03 0.02 1.15 -1.21 0.70 0.00 0.00 175.22 175.92 3idp s GLU 549 N -2.96 2.45 0.22 0.44 0.41 -1.26 -4.86 118.70 113.14 3idp s GLU 549 Ca 0.57 1.56 -0.08 0.00 -0.41 0.00 0.00 54.97 56.61 3idp s GLU 549 Cb -0.10 -1.89 0.30 0.00 -1.78 0.00 0.00 34.13 30.65 3idp s GLU 549 CO 0.16 -1.56 1.78 1.98 -0.49 0.00 0.00 175.26 177.13 3idp h MET 550 N -0.17 0.57 -0.82 1.61 4.05 -1.97 -1.81 114.93 116.38 3idp h MET 550 Ca -0.47 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 58.99 3idp h MET 550 Cb 1.27 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 31.89 3idp h MET 550 CO 0.52 0.38 0.54 0.97 0.23 0.00 0.00 176.91 179.54 3idp h ILE 551 N 0.59 1.02 -0.01 1.77 2.10 -2.00 -0.86 117.51 120.11 3idp h ILE 551 Ca 0.33 -0.30 -0.20 0.00 1.08 0.00 0.00 64.86 65.77 3idp h ILE 551 Cb 0.32 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.12 3idp h ILE 551 CO -0.25 0.16 -0.86 0.50 -1.08 0.00 0.00 178.15 176.62 3idp h LYS 552 N 0.86 0.31 -0.92 2.19 3.64 -1.77 -2.28 116.57 118.60 3idp h LYS 552 Ca 0.36 -0.31 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3idp h LYS 552 Cb 0.29 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3idp h LYS 552 CO -0.13 1.00 0.56 -0.07 -2.27 0.00 0.00 179.45 178.53 3idp h LEU 553 N 0.18 1.10 -0.74 5.20 3.38 -0.42 -0.68 115.31 123.34 3idp h LEU 553 Ca -0.05 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3idp h LEU 553 Cb 1.48 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3idp h LEU 553 CO 0.14 0.85 -0.33 0.40 0.09 0.00 0.00 178.44 179.58 3idp h ILE 554 N 1.27 1.29 -0.55 1.22 2.04 -1.23 -2.17 117.51 119.38 3idp h ILE 554 Ca 0.33 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 3idp h ILE 554 Cb -0.06 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3idp h ILE 554 CO -0.06 0.46 0.17 -0.78 0.00 0.00 0.00 178.15 177.94 3idp h ASP 555 N 0.49 0.80 0.18 1.72 3.58 -0.78 0.07 116.42 122.48 3idp h ASP 555 Ca 0.05 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 3idp h ASP 555 Cb 0.82 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.66 3idp h ASP 555 CO 0.07 0.80 -0.09 0.40 -2.88 0.00 0.00 179.24 177.54 3idp h ILE 556 N 0.76 0.83 -0.59 2.25 2.04 -1.10 -1.36 117.51 120.35 3idp h ILE 556 Ca 0.18 -0.06 0.12 0.00 1.00 0.00 0.00 64.86 66.10 3idp h ILE 556 Cb 0.29 0.87 -0.10 0.00 -0.74 0.00 0.00 36.82 37.13 3idp h ILE 556 CO -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 178.15 178.10 3idp h ALA 557 N 0.54 0.51 -0.03 1.87 0.00 -1.22 -1.13 119.26 119.81 3idp h ALA 557 Ca -0.03 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3idp h ALA 557 Cb 0.21 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3idp h ALA 557 CO 0.04 -0.41 0.01 -0.09 0.00 0.00 0.00 179.25 178.81 3idp h ARG 558 N 0.07 0.04 -0.21 0.00 2.43 -0.74 -1.33 114.38 114.63 3idp h ARG 558 Ca 0.30 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 3idp h ARG 558 Cb 0.48 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3idp h ARG 558 CO -0.55 0.12 -0.07 1.96 -1.51 0.00 0.00 179.97 179.92 3idp h GLN 559 N -0.05 0.33 -0.06 0.20 4.20 -1.01 0.37 115.11 119.09 3idp h GLN 559 Ca 0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3idp h GLN 559 Cb 0.09 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3idp h GLN 559 CO -0.00 0.41 0.02 1.15 -0.67 0.00 0.00 178.83 179.74 3idp h THR 560 N 0.31 1.18 -0.31 -0.54 2.02 -1.01 -2.18 112.91 112.39 3idp h THR 560 Ca 0.07 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3idp h THR 560 Cb 0.33 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3idp h THR 560 CO 0.02 0.15 0.12 0.00 0.37 0.00 0.00 175.52 176.18 3idp h ALA 561 N 0.81 1.64 0.02 6.16 0.00 -0.24 -0.55 119.26 127.09 3idp h ALA 561 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3idp h ALA 561 Cb 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3idp h ALA 561 CO -0.00 0.29 -0.10 1.96 0.00 0.00 0.00 179.25 181.40 3idp h GLN 562 N 0.43 -0.17 -0.68 0.00 1.08 -0.17 -0.76 115.11 114.83 3idp h GLN 562 Ca 0.11 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.24 3idp h GLN 562 Cb 0.09 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 3idp h GLN 562 CO -0.01 -0.12 0.12 0.78 -0.95 0.00 0.00 178.83 178.65 3idp h GLY 563 N -0.18 1.21 0.87 3.46 0.00 -0.71 -1.58 103.07 106.14 3idp h GLY 563 Ca 0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 3idp h GLY 563 CO -0.09 0.74 -0.00 -0.33 0.00 0.00 0.00 176.54 176.86 3idp h MET 564 N 1.05 0.49 -0.86 4.80 2.86 -1.08 -0.23 114.93 121.96 3idp h MET 564 Ca 0.21 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3idp h MET 564 Cb 0.43 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 3idp h MET 564 CO 0.01 0.65 0.57 0.22 1.06 0.00 0.00 176.91 179.42 3idp h ASP 565 N 0.27 0.98 -0.15 1.22 3.58 -1.04 -0.36 116.42 120.92 3idp h ASP 565 Ca 0.08 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.51 3idp h ASP 565 Cb 0.43 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3idp h ASP 565 CO 0.01 0.71 0.07 0.22 -2.88 0.00 0.00 179.24 177.38 3idp h TYR 566 N 1.16 0.14 -0.48 0.28 3.20 -1.06 -0.34 116.97 119.86 3idp h TYR 566 Ca 0.32 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 3idp h TYR 566 Cb -0.13 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3idp h TYR 566 CO -0.01 0.08 0.15 -0.07 -1.64 0.00 0.00 178.16 176.67 3idp h LEU 567 N 0.16 0.65 -0.19 2.82 3.38 -0.49 -2.85 115.31 118.78 3idp h LEU 567 Ca 0.06 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 3idp h LEU 567 Cb 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3idp h LEU 567 CO -0.04 0.62 -0.93 0.45 0.09 0.00 0.00 178.44 178.63 3idp h HIS 568 N 0.69 0.57 -0.81 1.13 3.86 -0.78 0.71 115.15 120.52 3idp h HIS 568 Ca 0.16 -0.31 0.12 0.00 -1.16 0.00 0.00 60.37 59.18 3idp h HIS 568 Cb 0.20 -0.07 -0.06 0.00 1.06 0.00 0.00 27.41 28.55 3idp h HIS 568 CO 0.01 1.13 0.53 0.00 0.86 0.00 0.00 177.93 180.45 3idp h ALA 569 N 0.77 1.85 -0.36 2.45 0.00 -0.83 0.15 119.26 123.28 3idp h ALA 569 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3idp h ALA 569 Cb 1.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3idp h ALA 569 CO 0.16 -0.04 0.00 1.63 0.00 0.00 0.00 179.25 181.00 3idp n LYS 570 N -4.52 2.14 -2.58 0.00 4.76 -1.14 -4.92 118.16 111.91 3idp n LYS 570 Ca 0.14 -1.43 -0.18 0.00 -2.87 0.00 0.00 58.31 53.98 3idp n LYS 570 Cb 0.40 -1.43 0.01 0.00 -1.84 0.00 0.00 35.03 32.16 3idp n LYS 570 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3idp n SER 571 N 0.55 -5.14 -4.69 4.39 7.64 0.51 -4.99 113.62 111.89 3idp n SER 571 Ca 0.13 -0.12 -0.35 0.00 1.01 0.00 0.00 58.87 59.54 3idp n SER 571 Cb 0.42 -4.12 -0.09 0.00 -1.01 0.00 0.00 64.21 59.41 3idp n SER 571 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3idp s ILE 572 N -2.95 5.27 -0.25 0.44 1.01 0.23 -5.01 121.20 119.94 3idp s ILE 572 Ca 0.12 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 3idp s ILE 572 Cb -0.05 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 3idp s ILE 572 CO 0.14 0.41 0.09 -0.63 0.00 0.00 0.00 174.94 174.96 3idp s ILE 573 N 0.60 4.55 0.11 2.92 1.01 -1.26 -3.71 121.20 125.42 3idp s ILE 573 Ca 0.07 -0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.39 3idp s ILE 573 Cb -0.12 -3.13 -0.08 0.00 0.01 0.00 0.00 42.46 39.14 3idp s ILE 573 CO 0.00 0.33 1.69 -0.74 0.00 0.00 0.00 174.94 176.22 3idp h HIS 574 N 8.18 -0.29 0.00 3.97 -0.00 -1.95 -3.46 115.15 121.60 3idp h HIS 574 Ca -0.37 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3idp h HIS 574 Cb 1.18 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3idp h HIS 574 CO 0.68 -0.17 0.00 0.54 -0.00 0.00 0.00 177.93 178.98 3idp n ARG 575 N -5.24 0.00 -2.75 5.26 1.74 -1.26 -4.73 116.66 109.68 3idp n ARG 575 Ca -0.05 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.00 3idp n ARG 575 Cb 0.17 -1.78 0.08 0.00 -1.02 0.00 0.00 32.46 29.91 3idp n ARG 575 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3idp n ASP 576 N 0.00 0.20 -4.74 0.55 2.03 -1.26 -5.05 116.55 108.27 3idp n ASP 576 Ca 0.00 -2.22 -0.41 0.00 0.52 0.00 0.00 54.79 52.67 3idp n ASP 576 Cb 0.00 0.05 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 3idp n ASP 576 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3idp s LEU 577 N -3.76 4.42 0.05 -2.67 2.96 -1.26 -4.85 118.68 113.57 3idp s LEU 577 Ca 0.21 2.47 -0.28 0.00 -0.22 0.00 0.00 54.13 56.30 3idp s LEU 577 Cb 0.39 -3.62 0.09 0.00 0.50 0.00 0.00 46.19 43.56 3idp s LEU 577 CO -0.06 -0.53 1.11 -1.59 -1.32 0.00 0.00 176.35 173.96 3idp s LYS 578 N -0.49 0.78 0.52 1.98 -2.85 -1.26 -4.82 119.74 113.60 3idp s LYS 578 Ca 0.55 -0.42 0.31 0.00 -1.00 0.00 0.00 55.97 55.41 3idp s LYS 578 Cb -0.37 0.27 1.31 0.00 -2.06 0.00 0.00 37.83 36.98 3idp s LYS 578 CO 0.41 -0.36 1.97 0.66 0.10 0.00 0.00 175.35 178.14 3idp h SER 579 N 2.00 0.00 0.77 0.03 4.64 -1.93 -1.32 113.55 117.74 3idp h SER 579 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3idp h SER 579 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3idp h SER 579 CO 0.27 0.08 0.00 -3.20 -0.87 0.00 0.00 176.83 173.11 3idp n ASN 580 N -3.24 0.00 -0.65 4.97 2.85 -1.26 -1.51 115.26 116.42 3idp n ASN 580 Ca -0.00 0.47 0.06 0.00 -0.11 0.00 0.00 54.58 55.00 3idp n ASN 580 Cb 0.32 -0.49 0.13 0.00 1.24 0.00 0.00 39.78 40.98 3idp n ASN 580 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3idp n ASN 581 N -1.49 2.69 -4.24 1.20 3.02 -0.50 -4.72 115.26 111.22 3idp n ASN 581 Ca 0.06 -1.82 -0.39 0.00 -0.03 0.00 0.00 54.58 52.39 3idp n ASN 581 Cb 0.26 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.17 3idp n ASN 581 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3idp s ILE 582 N -1.03 4.00 0.04 2.41 1.01 -1.14 -2.07 121.20 124.43 3idp s ILE 582 Ca 0.22 -1.52 -0.14 0.00 0.00 0.00 0.00 60.65 59.21 3idp s ILE 582 Cb 0.13 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 3idp s ILE 582 CO 0.17 -0.53 0.43 0.12 0.00 0.00 0.00 174.94 175.13 3idp s PHE 583 N 1.37 3.69 -0.74 3.97 5.36 -0.16 0.20 117.98 131.67 3idp s PHE 583 Ca 0.03 0.97 -0.08 0.00 -0.96 0.00 0.00 56.93 56.89 3idp s PHE 583 Cb -0.23 -2.28 0.19 0.00 -0.34 0.00 0.00 43.02 40.37 3idp s PHE 583 CO 0.01 0.59 0.61 -0.51 -1.46 0.00 0.00 175.22 174.47 3idp s LEU 584 N -1.35 5.98 -0.10 6.12 1.43 0.15 -1.24 118.68 129.67 3idp s LEU 584 Ca 0.27 -2.82 -0.29 0.00 -1.03 0.00 0.00 54.13 50.26 3idp s LEU 584 Cb -0.16 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 3idp s LEU 584 CO 0.15 -0.46 1.78 -2.28 0.23 0.00 0.00 176.35 175.77 3idp s HIS 585 N -0.03 1.76 -1.35 0.29 5.65 0.60 -0.85 115.29 121.37 3idp s HIS 585 Ca 0.18 0.18 -0.03 0.00 0.25 0.00 0.00 55.06 55.64 3idp s HIS 585 Cb -0.15 -4.01 0.02 0.00 -1.18 0.00 0.00 32.58 27.26 3idp s HIS 585 CO -0.06 -4.01 0.22 0.39 -0.65 0.00 0.00 174.74 170.63 3idp n GLU 586 N 7.55 -2.90 -4.02 2.88 -0.58 0.38 -1.08 120.64 122.87 3idp n GLU 586 Ca 0.20 0.72 -0.33 0.00 -0.42 0.00 0.00 57.16 57.32 3idp n GLU 586 Cb 0.43 -5.41 -0.02 0.00 -0.57 0.00 0.00 31.44 25.87 3idp n GLU 586 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3idp n ASP 587 N -2.09 -3.37 0.00 1.62 8.00 -0.03 -4.80 116.55 115.89 3idp n ASP 587 Ca -0.13 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3idp n ASP 587 Cb 0.61 -2.77 0.00 0.00 -0.02 0.00 0.00 41.12 38.95 3idp n ASP 587 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3idp n LEU 588 N -4.21 0.00 -4.74 0.64 4.77 -0.24 -5.07 117.00 108.14 3idp n LEU 588 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.64 3idp n LEU 588 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 3idp n LEU 588 CO 0.78 -0.33 0.66 -0.89 -1.33 0.00 0.00 177.39 176.27 3idp s THR 589 N -0.66 4.17 -0.01 -5.08 2.01 -0.97 -4.83 115.64 110.27 3idp s THR 589 Ca 0.00 2.06 -0.26 0.00 0.31 0.00 0.00 61.69 63.80 3idp s THR 589 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 3idp s THR 589 CO 0.00 0.44 0.79 -0.69 -0.69 0.00 0.00 174.62 174.47 3idp s VAL 590 N -0.83 4.88 -0.12 3.82 1.01 -1.26 -0.29 120.40 127.61 3idp s VAL 590 Ca 0.43 1.66 0.03 0.00 0.00 0.00 0.00 61.98 64.10 3idp s VAL 590 Cb -0.25 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.99 3idp s VAL 590 CO 0.32 0.27 -0.21 -0.54 0.00 0.00 0.00 175.10 174.94 3idp s LYS 591 N 0.52 3.09 -0.11 2.72 -0.14 -0.37 -4.21 119.74 121.23 3idp s LYS 591 Ca 0.41 -0.84 -0.10 0.00 -1.36 0.00 0.00 55.97 54.08 3idp s LYS 591 Cb -0.20 -2.41 -0.05 0.00 -1.68 0.00 0.00 37.83 33.50 3idp s LYS 591 CO 0.22 0.10 0.22 0.42 -0.76 0.00 0.00 175.35 175.56 3idp s ILE 592 N 0.55 5.35 0.00 2.17 1.01 0.44 -0.98 121.20 129.74 3idp s ILE 592 Ca -0.13 0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.93 3idp s ILE 592 Cb -0.17 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.78 3idp s ILE 592 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.13 3idp n GLY 593 N 2.44 2.95 3.01 6.18 0.00 -0.88 -2.30 105.19 116.59 3idp n GLY 593 Ca -0.17 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 3idp n GLY 593 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3idp s ASP 594 N -0.03 4.66 0.00 1.61 -1.08 -1.26 -4.75 116.67 115.82 3idp s ASP 594 Ca 0.00 -2.70 0.29 0.00 -0.52 0.00 0.00 52.55 49.62 3idp s ASP 594 Cb 0.00 -1.69 1.29 0.00 -1.46 0.00 0.00 42.92 41.06 3idp s ASP 594 CO 0.00 -0.32 1.91 0.49 0.52 0.00 0.00 175.17 177.77 3idp n PHE 595 N 3.57 0.00 -2.05 -5.34 3.01 -1.26 -4.87 117.46 110.52 3idp n PHE 595 Ca 0.05 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.12 3idp n PHE 595 Cb 0.36 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 3idp n PHE 595 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3idp s GLY 596 N -2.55 2.89 -0.01 1.37 0.00 -1.26 -4.95 107.32 102.81 3idp s GLY 596 Ca 0.27 1.19 0.06 0.00 0.00 0.00 0.00 44.72 46.24 3idp s GLY 596 CO 0.48 1.73 1.13 1.04 0.00 0.00 0.00 173.10 177.49 3idp n LEU 597 N -0.20 2.48 -1.12 0.66 4.77 -1.26 -4.72 117.00 117.60 3idp n LEU 597 Ca 0.06 -2.06 0.02 0.00 -0.03 0.00 0.00 56.01 54.00 3idp n LEU 597 Cb 0.45 -0.13 0.24 0.00 -2.33 0.00 0.00 43.42 41.65 3idp n LEU 597 CO 0.54 0.61 0.75 0.00 -1.33 0.00 0.00 177.39 177.96 3idp n ALA 598 N -0.08 3.64 -2.58 -1.18 0.00 -1.26 -2.25 120.51 116.80 3idp n ALA 598 Ca 0.06 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.91 3idp n ALA 598 Cb 0.36 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3idp n ALA 598 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3idp n THR 599 N -0.70 0.00 0.00 0.00 -1.04 -1.26 -4.90 114.28 106.39 3idp n THR 599 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 3idp n THR 599 Cb 1.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 3idp n THR 599 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3idp n GLY 615 N 0.00 -0.55 3.39 3.41 0.00 -1.26 -4.96 105.19 105.22 3idp n GLY 615 Ca 0.00 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3idp n GLY 615 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3idp s SER 616 N -4.00 5.78 0.06 1.61 0.01 -1.26 -4.96 113.70 110.95 3idp s SER 616 Ca 0.00 -0.96 0.27 0.00 1.31 0.00 0.00 55.95 56.57 3idp s SER 616 Cb 0.00 -2.04 0.92 0.00 0.21 0.00 0.00 66.02 65.11 3idp s SER 616 CO 0.00 -0.39 1.74 2.30 0.41 0.00 0.00 173.24 177.30 3idp n ILE 617 N 5.02 0.17 0.25 1.44 -5.35 -1.26 -3.83 119.36 115.79 3idp n ILE 617 Ca -0.12 -0.09 0.12 0.00 -0.27 0.00 0.00 62.75 62.39 3idp n ILE 617 Cb 0.46 -0.34 0.62 0.00 -1.74 0.00 0.00 39.64 38.64 3idp n ILE 617 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3idp h LEU 618 N 0.00 0.00 -2.72 7.28 3.38 -1.98 -2.78 115.31 118.49 3idp h LEU 618 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3idp h LEU 618 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3idp h LEU 618 CO 0.00 0.16 0.00 0.79 0.09 0.00 0.00 178.44 179.48 3idp n TRP 619 N -3.50 0.83 -3.23 1.13 8.01 -1.25 -4.96 117.44 114.46 3idp n TRP 619 Ca -0.01 -0.47 -0.40 0.00 -1.31 0.00 0.00 57.50 55.31 3idp n TRP 619 Cb 0.32 -0.01 -0.07 0.00 -2.01 0.00 0.00 31.31 29.54 3idp n TRP 619 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3idp s MET 620 N -1.04 4.15 0.43 -0.99 -1.94 -1.05 -3.59 119.30 115.26 3idp s MET 620 Ca 0.43 0.40 -0.25 0.00 -1.71 0.00 0.00 55.69 54.56 3idp s MET 620 Cb 0.22 -3.59 -0.09 0.00 2.01 0.00 0.00 34.83 33.38 3idp s MET 620 CO 0.30 -0.23 1.28 0.00 -0.01 0.00 0.00 175.02 176.36 3idp n ALA 621 N 5.08 1.35 -0.32 3.03 0.00 -1.26 -4.73 120.51 123.67 3idp n ALA 621 Ca -0.04 0.25 0.18 0.00 0.00 0.00 0.00 53.44 53.84 3idp n ALA 621 Cb 0.50 -2.28 0.38 0.00 0.00 0.00 0.00 19.45 18.05 3idp n ALA 621 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3idp h PRO 622 N 2.06 0.20 0.00 0.00 0.11 -1.86 0.17 132.00 132.68 3idp h PRO 622 Ca -0.48 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3idp h PRO 622 Cb 1.29 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3idp h PRO 622 CO 0.60 0.13 -0.19 0.93 -0.21 0.00 0.00 178.00 179.26 3idp h GLU 623 N 0.21 0.00 0.14 1.05 3.07 -1.89 -1.96 114.58 115.20 3idp h GLU 623 Ca 0.64 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 59.21 3idp h GLU 623 Cb 1.41 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.34 3idp h GLU 623 CO -0.68 0.19 -1.26 0.28 -1.40 0.00 0.00 179.01 176.14 3idp h VAL 624 N 0.00 1.35 0.00 3.13 2.07 -1.00 -3.29 116.25 118.51 3idp h VAL 624 Ca -0.00 -2.66 -0.05 0.00 0.82 0.00 0.00 66.70 64.81 3idp h VAL 624 Cb 0.70 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 3idp h VAL 624 CO 0.02 0.80 -0.25 0.40 0.02 0.00 0.00 177.57 178.56 3idp h ILE 625 N 0.19 0.93 0.00 4.57 2.04 -0.83 -3.40 117.51 121.02 3idp h ILE 625 Ca -0.18 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3idp h ILE 625 Cb 1.95 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3idp h ILE 625 CO 0.23 0.25 0.00 0.54 0.00 0.00 0.00 178.15 179.17 3idp n ARG 626 N -3.88 0.00 -4.40 2.37 1.74 -0.77 -4.98 116.66 106.75 3idp n ARG 626 Ca -0.02 0.19 -0.21 0.00 -0.77 0.00 0.00 57.85 57.05 3idp n ARG 626 Cb 0.34 -1.16 -0.09 0.00 -1.02 0.00 0.00 32.46 30.52 3idp n ARG 626 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3idp s MET 627 N -1.66 1.71 -0.42 5.56 0.23 -1.26 -5.14 119.30 118.32 3idp s MET 627 Ca 0.00 -2.00 0.05 0.00 -1.03 0.00 0.00 55.69 52.71 3idp s MET 627 Cb 0.00 -0.30 0.18 0.00 -1.53 0.00 0.00 34.83 33.18 3idp s MET 627 CO 0.00 -0.45 0.42 0.94 -2.03 0.00 0.00 175.02 173.90 3idp n GLN 628 N -0.70 0.29 -0.30 3.16 7.27 -1.26 -5.10 117.38 120.74 3idp n GLN 628 Ca -0.01 -3.00 -0.08 0.00 0.07 0.00 0.00 57.00 53.98 3idp n GLN 628 Cb 0.65 -1.60 -0.03 0.00 2.41 0.00 0.00 30.24 31.67 3idp n GLN 628 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3idp n ASN 631 N 2.69 0.03 -0.51 1.69 5.15 -1.26 -5.10 115.26 117.95 3idp n ASN 631 Ca 0.27 0.03 0.13 0.00 -0.60 0.00 0.00 54.58 54.41 3idp n ASN 631 Cb 0.50 -0.18 0.32 0.00 -0.53 0.00 0.00 39.78 39.89 3idp n ASN 631 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3idp n PRO 632 N 1.67 1.50 -2.76 1.20 -0.04 -1.26 -4.93 135.00 130.38 3idp n PRO 632 Ca 0.13 -1.03 -0.41 0.00 -0.04 0.00 0.00 63.50 62.16 3idp n PRO 632 Cb 0.01 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 31.94 3idp n PRO 632 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3idp s TYR 633 N -2.21 3.86 0.36 0.54 1.51 -1.26 -4.62 117.35 115.53 3idp s TYR 633 Ca 0.29 1.81 -0.03 0.00 -1.01 0.00 0.00 57.07 58.13 3idp s TYR 633 Cb 0.20 -3.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.05 3idp s TYR 633 CO 0.42 0.29 0.51 -1.54 -1.11 0.00 0.00 175.55 174.12 3idp s SER 634 N -0.37 0.95 0.41 2.29 1.04 -1.26 -4.99 113.70 111.77 3idp s SER 634 Ca 0.44 -1.51 0.11 0.00 0.48 0.00 0.00 55.95 55.48 3idp s SER 634 Cb -0.24 0.70 0.93 0.00 0.10 0.00 0.00 66.02 67.51 3idp s SER 634 CO 0.30 -1.36 1.97 -0.26 0.98 0.00 0.00 173.24 174.86 3idp h PHE 635 N 2.07 0.56 -0.04 5.02 0.05 -1.96 -2.65 116.94 119.99 3idp h PHE 635 Ca -0.29 0.01 -0.12 0.00 3.82 0.00 0.00 57.97 61.40 3idp h PHE 635 Cb 1.24 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.99 3idp h PHE 635 CO 1.61 0.27 -0.52 1.96 -0.18 0.00 0.00 178.31 181.46 3idp h GLN 636 N 0.53 0.10 -0.21 1.51 7.50 -1.92 -2.04 115.11 120.58 3idp h GLN 636 Ca 0.30 -0.06 -0.13 0.00 0.50 0.00 0.00 58.65 59.26 3idp h GLN 636 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 3idp h GLN 636 CO -0.09 0.60 -0.41 0.66 -1.50 0.00 0.00 178.83 178.08 3idp h SER 637 N 0.08 0.53 -0.75 1.46 4.64 -1.81 -1.57 113.55 116.14 3idp h SER 637 Ca -0.00 -0.24 0.04 0.00 -0.47 0.00 0.00 61.79 61.12 3idp h SER 637 Cb 0.94 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.84 3idp h SER 637 CO 0.07 0.89 0.47 0.44 -0.87 0.00 0.00 176.83 177.83 3idp h ASP 638 N 0.41 0.76 -0.45 4.97 3.32 -1.43 -2.58 116.42 121.42 3idp h ASP 638 Ca 0.03 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3idp h ASP 638 Cb 0.90 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3idp h ASP 638 CO 0.08 0.52 0.29 0.58 -1.72 0.00 0.00 179.24 178.99 3idp h VAL 639 N 0.90 1.10 -0.08 -1.35 2.07 -0.99 -1.05 116.25 116.85 3idp h VAL 639 Ca 0.31 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.65 3idp h VAL 639 Cb 0.05 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3idp h VAL 639 CO -0.12 0.11 -0.10 0.22 0.02 0.00 0.00 177.57 177.69 3idp h TYR 640 N 0.60 -0.25 -0.81 1.57 3.20 -1.18 0.12 116.97 120.21 3idp h TYR 640 Ca 0.17 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.21 3idp h TYR 640 Cb -0.05 0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.24 3idp h TYR 640 CO -0.05 -0.15 0.37 0.00 -1.64 0.00 0.00 178.16 176.69 3idp h ALA 641 N 0.92 1.20 -0.52 1.82 0.00 -1.23 0.17 119.26 121.63 3idp h ALA 641 Ca 0.07 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3idp h ALA 641 Cb 0.23 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3idp h ALA 641 CO -0.16 -0.17 0.30 0.35 0.00 0.00 0.00 179.25 179.57 3idp h PHE 642 N 0.52 0.57 -0.69 0.00 3.57 -0.27 -0.98 116.94 119.65 3idp h PHE 642 Ca 0.45 0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.09 3idp h PHE 642 Cb 0.69 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.16 3idp h PHE 642 CO -0.13 0.32 0.26 0.78 -2.23 0.00 0.00 178.31 177.31 3idp h GLY 643 N 0.60 1.00 1.01 2.40 0.00 0.12 0.10 103.07 108.30 3idp h GLY 643 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3idp h GLY 643 CO -0.10 -0.06 0.45 -2.22 0.00 0.00 0.00 176.54 174.61 3idp h ILE 644 N 0.42 1.23 -0.89 2.60 1.08 -0.65 -1.33 117.51 119.98 3idp h ILE 644 Ca 0.36 -0.55 0.03 0.00 -0.39 0.00 0.00 64.86 64.31 3idp h ILE 644 Cb 0.51 0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 34.37 3idp h ILE 644 CO -0.36 0.25 0.58 0.58 -0.69 0.00 0.00 178.15 178.50 3idp h VAL 645 N 1.09 1.16 -0.81 1.67 2.07 0.18 -1.38 116.25 120.23 3idp h VAL 645 Ca 0.28 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3idp h VAL 645 Cb 0.01 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.67 3idp h VAL 645 CO -0.05 0.21 0.46 -0.07 0.02 0.00 0.00 177.57 178.14 3idp h LEU 646 N 1.13 0.99 0.08 2.57 3.38 -0.22 -0.98 115.31 122.27 3idp h LEU 646 Ca 0.35 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.25 3idp h LEU 646 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3idp h LEU 646 CO -0.11 0.79 -0.19 0.22 0.09 0.00 0.00 178.44 179.24 3idp h TYR 647 N 1.11 -0.49 -0.34 1.13 3.20 -0.66 0.45 116.97 121.36 3idp h TYR 647 Ca 0.29 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.24 3idp h TYR 647 Cb 0.00 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.40 3idp h TYR 647 CO -0.00 -0.27 -0.32 0.93 -1.64 0.00 0.00 178.16 176.85 3idp h GLU 648 N -0.35 -0.27 -0.50 1.82 5.08 -0.88 0.24 114.58 119.72 3idp h GLU 648 Ca 0.03 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3idp h GLU 648 Cb 0.38 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3idp h GLU 648 CO -0.12 -0.18 0.24 -0.07 -1.00 0.00 0.00 179.01 177.88 3idp h LEU 649 N -0.28 0.32 -0.17 1.33 3.38 -0.83 0.60 115.31 119.67 3idp h LEU 649 Ca 0.16 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3idp h LEU 649 Cb 0.53 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3idp h LEU 649 CO -0.50 0.22 -0.33 0.24 0.09 0.00 0.00 178.44 178.17 3idp h MET 650 N 0.46 0.00 0.00 1.13 2.86 -0.36 -3.33 114.93 115.69 3idp h MET 650 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3idp h MET 650 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3idp h MET 650 CO -0.18 0.33 -1.26 0.25 1.06 0.00 0.00 176.91 177.12 3idp n THR 651 N -3.21 0.00 -0.99 2.22 -2.24 0.80 -2.56 114.28 108.29 3idp n THR 651 Ca 0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3idp n THR 651 Cb 0.64 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3idp n THR 651 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3idp n GLY 652 N 2.00 0.79 3.29 3.38 0.00 0.21 -4.92 105.19 109.93 3idp n GLY 652 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3idp n GLY 652 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3idp s GLN 653 N -0.01 1.20 0.58 1.61 -2.07 -1.24 -4.66 119.66 115.07 3idp s GLN 653 Ca 0.00 -1.43 -0.16 0.00 -1.82 0.00 0.00 55.36 51.96 3idp s GLN 653 Cb 0.00 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 3idp s GLN 653 CO 0.00 -0.42 1.05 -0.51 -1.32 0.00 0.00 175.29 174.09 3idp s LEU 654 N -3.07 3.51 0.49 2.60 1.43 -1.26 -4.21 118.68 118.17 3idp s LEU 654 Ca 0.28 1.77 -0.20 0.00 -1.03 0.00 0.00 54.13 54.96 3idp s LEU 654 Cb 0.05 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.66 3idp s LEU 654 CO 0.07 -1.09 1.06 -2.16 0.23 0.00 0.00 176.35 174.46 3idp s PRO 655 N -4.10 3.72 -1.18 1.29 0.04 -1.26 -3.91 135.00 129.60 3idp s PRO 655 Ca 0.63 1.43 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 3idp s PRO 655 Cb -0.15 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3idp s PRO 655 CO 0.37 -0.51 0.57 0.66 0.04 0.00 0.00 177.00 178.12 3idp n TYR 656 N -0.99 -1.67 0.57 0.56 4.01 -1.26 -4.90 117.16 113.49 3idp n TYR 656 Ca 0.10 0.48 0.09 0.00 -0.16 0.00 0.00 57.90 58.41 3idp n TYR 656 Cb 0.52 -3.81 0.40 0.00 -0.31 0.00 0.00 39.34 36.14 3idp n TYR 656 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3idp n SER 657 N -1.64 0.16 -0.83 7.72 3.41 -1.25 -1.75 113.62 119.44 3idp n SER 657 Ca -0.07 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 3idp n SER 657 Cb 0.58 -0.57 0.28 0.00 -0.26 0.00 0.00 64.21 64.24 3idp n SER 657 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3idp n ASN 658 N -1.67 2.53 -4.48 4.04 6.94 -1.26 -4.84 115.26 116.52 3idp n ASN 658 Ca 0.04 -1.83 -0.33 0.00 -0.02 0.00 0.00 54.58 52.43 3idp n ASN 658 Cb 0.22 -0.09 -0.13 0.00 -2.36 0.00 0.00 39.78 37.43 3idp n ASN 658 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3idp s ILE 659 N -1.82 3.56 -1.30 1.53 1.01 -0.72 -5.02 121.20 118.45 3idp s ILE 659 Ca 0.34 -0.49 0.12 0.00 0.00 0.00 0.00 60.65 60.62 3idp s ILE 659 Cb 0.20 -2.52 0.19 0.00 0.01 0.00 0.00 42.46 40.35 3idp s ILE 659 CO 0.30 0.53 1.04 -0.46 0.00 0.00 0.00 174.94 176.35 3idp n ASN 660 N 3.21 2.40 -4.34 3.58 0.23 -1.26 -4.94 115.26 114.14 3idp n ASN 660 Ca -0.18 -1.70 -0.37 0.00 -0.53 0.00 0.00 54.58 51.81 3idp n ASN 660 Cb 0.53 -0.10 -0.13 0.00 -2.08 0.00 0.00 39.78 38.00 3idp n ASN 660 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3idp s ASN 661 N -1.00 5.04 0.12 0.53 3.84 -1.26 -5.00 114.94 117.21 3idp s ASN 661 Ca 0.18 -0.69 -0.14 0.00 0.21 0.00 0.00 52.86 52.42 3idp s ASN 661 Cb 0.11 -1.86 -0.05 0.00 -0.55 0.00 0.00 41.25 38.90 3idp s ASN 661 CO 0.16 -0.17 1.49 -0.09 -2.79 0.00 0.00 177.10 175.69 3idp h ARG 662 N 8.21 0.76 0.00 0.43 2.43 -2.00 -2.67 114.38 121.53 3idp h ARG 662 Ca -0.32 -0.34 -0.04 0.00 -0.81 0.00 0.00 59.98 58.48 3idp h ARG 662 Cb 1.13 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3idp h ARG 662 CO 0.60 0.95 -0.18 -0.44 -1.51 0.00 0.00 179.97 179.39 3idp h ASP 663 N 0.54 0.00 0.65 -3.80 3.32 -1.99 -1.68 116.42 113.46 3idp h ASP 663 Ca 0.08 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.86 3idp h ASP 663 Cb 0.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 3idp h ASP 663 CO 0.05 0.18 -1.26 -0.61 -1.72 0.00 0.00 179.24 175.88 3idp h GLN 664 N 0.00 0.23 0.33 3.56 5.75 -1.93 -1.57 115.11 121.48 3idp h GLN 664 Ca -0.00 -0.40 -0.02 0.00 -0.15 0.00 0.00 58.65 58.09 3idp h GLN 664 Cb 0.63 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.33 3idp h GLN 664 CO 0.02 1.17 -0.16 0.82 -2.65 0.00 0.00 178.83 178.03 3idp h ILE 665 N 0.06 0.70 -0.54 2.39 2.04 -1.15 -0.87 117.51 120.14 3idp h ILE 665 Ca -0.14 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.63 3idp h ILE 665 Cb 1.96 0.79 -0.10 0.00 -0.74 0.00 0.00 36.82 38.73 3idp h ILE 665 CO 0.19 0.04 -0.47 0.40 0.00 0.00 0.00 178.15 178.30 3idp h ILE 666 N -0.53 0.07 -0.03 -0.67 2.04 -1.34 -0.63 117.51 116.42 3idp h ILE 666 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.84 3idp h ILE 666 Cb 0.40 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 3idp h ILE 666 CO 0.07 0.00 -0.12 0.15 0.00 0.00 0.00 178.15 178.25 3idp h PHE 667 N -0.27 -0.31 -0.08 1.37 3.57 -1.23 -2.76 116.94 117.22 3idp h PHE 667 Ca 0.15 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 3idp h PHE 667 Cb 0.57 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3idp h PHE 667 CO -0.72 -0.19 -0.71 0.52 -2.23 0.00 0.00 178.31 174.99 3idp h MET 668 N -0.19 0.37 -0.19 1.11 2.86 -0.65 -2.54 114.93 115.70 3idp h MET 668 Ca 0.06 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 3idp h MET 668 Cb 0.27 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3idp h MET 668 CO -0.15 0.94 -0.07 0.28 1.06 0.00 0.00 176.91 178.97 3idp h VAL 669 N 0.26 1.30 -0.66 -2.22 2.07 -1.19 -0.52 116.25 115.29 3idp h VAL 669 Ca -0.03 -1.08 0.17 0.00 0.82 0.00 0.00 66.70 66.59 3idp h VAL 669 Cb 1.27 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 3idp h VAL 669 CO 0.12 0.32 0.46 1.23 0.02 0.00 0.00 177.57 179.73 3idp h GLY 670 N 0.07 0.18 -0.67 2.17 0.00 -1.35 -1.73 103.07 101.75 3idp h GLY 670 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3idp h GLY 670 CO 0.02 0.01 -0.64 0.54 0.00 0.00 0.00 176.54 176.47 3idp n ARG 671 N -4.38 0.85 -0.48 4.80 1.74 -0.97 -4.86 116.66 113.36 3idp n ARG 671 Ca 0.13 -0.67 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 3idp n ARG 671 Cb 0.66 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 3idp n ARG 671 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3idp n GLY 672 N 1.44 0.87 0.28 -0.13 0.00 -0.65 -4.91 105.19 102.09 3idp n GLY 672 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3idp n GLY 672 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3idp h TYR 673 N 0.00 0.00 -3.85 1.61 0.99 -1.38 -3.43 116.97 110.91 3idp h TYR 673 Ca 0.00 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.29 3idp h TYR 673 Cb 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 36.73 37.42 3idp h TYR 673 CO 0.00 0.06 -0.79 -1.17 -0.00 0.00 0.00 178.16 176.26 3idp s LEU 674 N -7.70 1.82 0.03 3.88 2.96 -0.92 -5.00 118.68 113.76 3idp s LEU 674 Ca -0.04 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3idp s LEU 674 Cb 0.15 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 3idp s LEU 674 CO 0.58 0.08 -0.02 -0.55 -1.32 0.00 0.00 176.35 175.13 3idp s SER 675 N 0.13 0.34 0.49 3.68 0.15 -1.26 -4.33 113.70 112.90 3idp s SER 675 Ca -0.02 -0.72 -0.23 0.00 0.70 0.00 0.00 55.95 55.68 3idp s SER 675 Cb -0.08 0.16 -0.06 0.00 -1.71 0.00 0.00 66.02 64.32 3idp s SER 675 CO 0.01 -0.45 1.28 -2.84 1.20 0.00 0.00 173.24 172.44 3idp s PRO 676 N -2.62 3.50 -0.65 5.44 0.02 -1.26 -4.92 135.00 134.51 3idp s PRO 676 Ca -0.05 2.07 -0.26 0.00 0.02 0.00 0.00 61.00 62.78 3idp s PRO 676 Cb -0.01 -2.39 0.04 0.00 0.02 0.00 0.00 34.50 32.15 3idp s PRO 676 CO -0.05 -0.85 1.12 0.34 -0.33 0.00 0.00 177.00 177.22 3idp s ASP 677 N -1.05 6.25 0.18 2.53 2.15 -1.26 -4.90 116.67 120.57 3idp s ASP 677 Ca 0.66 -0.45 0.26 0.00 0.43 0.00 0.00 52.55 53.45 3idp s ASP 677 Cb -0.36 -2.50 0.90 0.00 -0.30 0.00 0.00 42.92 40.66 3idp s ASP 677 CO 0.44 -1.55 1.78 0.18 -0.17 0.00 0.00 175.17 175.84 3idp n LEU 678 N 8.40 0.64 0.00 -1.34 4.77 -1.26 -2.91 117.00 125.31 3idp n LEU 678 Ca 0.02 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.69 3idp n LEU 678 Cb 0.48 -0.40 0.52 0.00 -2.33 0.00 0.00 43.42 41.69 3idp n LEU 678 CO 0.68 -0.23 0.85 -1.54 -1.33 0.00 0.00 177.39 175.82 3idp n SER 679 N -2.12 0.00 -0.08 -1.43 3.41 -1.26 -3.04 113.62 109.10 3idp n SER 679 Ca 0.05 0.16 0.16 0.00 -0.26 0.00 0.00 58.87 58.98 3idp n SER 679 Cb 0.37 -0.36 0.87 0.00 -0.26 0.00 0.00 64.21 64.83 3idp n SER 679 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3idp n LYS 680 N -1.36 1.08 -2.56 4.33 5.02 -1.14 -4.87 118.16 118.66 3idp n LYS 680 Ca 0.09 -0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 3idp n LYS 680 Cb 0.20 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 3idp n LYS 680 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3idp s VAL 681 N -2.02 4.42 0.08 -0.18 -7.23 -1.17 -4.64 120.40 109.66 3idp s VAL 681 Ca 0.46 1.74 -0.37 0.00 -1.81 0.00 0.00 61.98 62.00 3idp s VAL 681 Cb 0.22 -4.11 -0.17 0.00 0.56 0.00 0.00 36.38 32.87 3idp s VAL 681 CO 0.37 0.14 1.26 0.54 -0.31 0.00 0.00 175.10 177.10 3idp n ARG 682 N 3.91 0.91 0.29 4.82 1.74 -1.06 -4.84 116.66 122.43 3idp n ARG 682 Ca 0.08 0.33 0.17 0.00 -0.77 0.00 0.00 57.85 57.65 3idp n ARG 682 Cb 0.49 -1.92 0.84 0.00 -1.02 0.00 0.00 32.46 30.84 3idp n ARG 682 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3idp h SER 683 N 4.11 0.00 0.00 0.55 4.64 -1.93 -1.58 113.55 119.34 3idp h SER 683 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3idp h SER 683 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3idp h SER 683 CO 0.74 0.06 0.00 -0.46 -0.87 0.00 0.00 176.83 176.30 3idp n ASN 684 N -3.34 0.00 -4.75 4.97 6.94 -1.26 -4.77 115.26 113.05 3idp n ASN 684 Ca -0.01 -0.98 -0.40 0.00 -0.02 0.00 0.00 54.58 53.17 3idp n ASN 684 Cb 0.22 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.58 3idp n ASN 684 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3idp s PRO 686 N -0.05 3.06 0.27 0.00 0.02 -1.26 -4.89 135.00 132.16 3idp s PRO 686 Ca 0.36 1.81 -0.02 0.00 0.02 0.00 0.00 61.00 63.18 3idp s PRO 686 Cb -0.20 -1.97 0.44 0.00 0.02 0.00 0.00 34.50 32.79 3idp s PRO 686 CO 0.21 -1.13 1.89 0.87 -0.33 0.00 0.00 177.00 178.51 3idp h LYS 687 N 1.01 1.11 -0.65 5.54 1.57 -1.96 -2.24 116.57 120.95 3idp h LYS 687 Ca -0.50 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3idp h LYS 687 Cb 1.29 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 3idp h LYS 687 CO 0.56 0.74 0.42 0.00 -0.57 0.00 0.00 179.45 180.59 3idp h ALA 688 N 1.47 0.83 -0.56 3.86 0.00 -1.99 -1.93 119.26 120.94 3idp h ALA 688 Ca 0.42 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.30 3idp h ALA 688 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3idp h ALA 688 CO -0.17 0.27 0.35 1.98 0.00 0.00 0.00 179.25 181.69 3idp h MET 689 N 0.89 0.69 -0.70 0.00 1.85 -1.77 0.12 114.93 115.99 3idp h MET 689 Ca 0.24 -0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 59.22 3idp h MET 689 Cb -0.08 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 31.77 3idp h MET 689 CO -0.05 0.45 0.17 -0.22 -0.40 0.00 0.00 176.91 176.87 3idp h LYS 690 N 0.71 1.12 -0.18 0.39 3.64 -1.38 -1.41 116.57 119.46 3idp h LYS 690 Ca 0.21 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3idp h LYS 690 Cb -0.03 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3idp h LYS 690 CO -0.07 0.99 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.98 3idp h ARG 691 N 1.07 0.34 -0.53 1.90 2.43 -0.87 -1.80 114.38 116.92 3idp h ARG 691 Ca 0.22 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 3idp h ARG 691 Cb 0.37 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 3idp h ARG 691 CO 0.00 0.58 0.20 1.25 -1.51 0.00 0.00 179.97 180.50 3idp h LEU 692 N 0.06 0.21 -0.29 3.80 5.85 -0.71 -1.43 115.31 122.81 3idp h LEU 692 Ca 0.05 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3idp h LEU 692 Cb 0.45 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3idp h LEU 692 CO 0.01 0.15 0.05 -0.03 -0.34 0.00 0.00 178.44 178.28 3idp h MET 693 N 0.39 0.15 -0.78 1.25 4.05 -1.13 -0.56 114.93 118.29 3idp h MET 693 Ca 0.26 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.69 3idp h MET 693 Cb 0.28 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 3idp h MET 693 CO -0.25 0.10 0.52 0.00 0.23 0.00 0.00 176.91 177.51 3idp h ALA 694 N 1.22 1.48 -0.51 0.39 0.00 -0.92 -1.49 119.26 119.43 3idp h ALA 694 Ca 0.14 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3idp h ALA 694 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3idp h ALA 694 CO -0.18 0.46 -0.17 1.49 0.00 0.00 0.00 179.25 180.85 3idp h GLU 695 N 1.02 1.02 0.00 0.00 4.57 -0.81 -2.66 114.58 117.71 3idp h GLU 695 Ca 0.30 -0.41 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 3idp h GLU 695 Cb -0.05 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3idp h GLU 695 CO -0.08 1.09 -0.23 0.00 -1.18 0.00 0.00 179.01 178.62 3idp n LEU 697 N -3.71 3.62 -4.67 0.00 4.77 -0.61 -3.84 117.00 112.58 3idp n LEU 697 Ca -0.01 -1.81 -0.47 0.00 -0.03 0.00 0.00 56.01 53.69 3idp n LEU 697 Cb 0.34 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3idp n LEU 697 CO 0.34 0.88 1.21 0.29 -1.33 0.00 0.00 177.39 178.77 3idp n LYS 698 N 1.42 2.08 -0.24 3.23 4.76 -1.10 -4.89 118.16 123.42 3idp n LYS 698 Ca 0.22 0.75 -0.02 0.00 -2.87 0.00 0.00 58.31 56.39 3idp n LYS 698 Cb 0.58 -2.52 0.17 0.00 -1.84 0.00 0.00 35.03 31.42 3idp n LYS 698 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3idp h LYS 699 N 6.19 1.05 -6.15 1.97 1.57 -1.93 -3.40 116.57 115.88 3idp h LYS 699 Ca -0.45 -0.13 -0.57 0.00 -1.87 0.00 0.00 60.65 57.62 3idp h LYS 699 Cb 1.26 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 3idp h LYS 699 CO 0.89 0.79 0.85 0.15 -0.57 0.00 0.00 179.45 181.55 3idp s LYS 700 N -5.65 4.21 0.22 3.15 1.02 -1.26 -4.78 119.74 116.64 3idp s LYS 700 Ca -0.11 1.40 -0.17 0.00 0.02 0.00 0.00 55.97 57.11 3idp s LYS 700 Cb 0.17 -3.70 0.23 0.00 -0.52 0.00 0.00 37.83 34.00 3idp s LYS 700 CO 0.81 -0.72 1.57 -0.09 -0.92 0.00 0.00 175.35 176.00 3idp h ARG 701 N 7.86 -0.06 0.00 1.68 2.43 -1.98 -2.29 114.38 122.02 3idp h ARG 701 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3idp h ARG 701 Cb 1.07 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3idp h ARG 701 CO 0.99 -0.04 0.00 -0.25 -1.51 0.00 0.00 179.97 179.16 3idp n ASP 702 N -5.48 0.09 -0.06 -3.80 8.00 -1.26 -2.07 116.55 111.98 3idp n ASP 702 Ca 0.08 0.52 0.14 0.00 0.71 0.00 0.00 54.79 56.24 3idp n ASP 702 Cb 0.39 -0.54 0.58 0.00 -0.02 0.00 0.00 41.12 41.53 3idp n ASP 702 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3idp n GLU 703 N -1.59 0.41 -3.14 -1.24 1.02 -0.86 -4.90 120.64 110.33 3idp n GLU 703 Ca 0.04 -0.12 -0.39 0.00 -0.02 0.00 0.00 57.16 56.67 3idp n GLU 703 Cb 0.23 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 3idp n GLU 703 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3idp s ARG 704 N -2.68 4.36 0.96 3.49 0.52 -0.88 -4.96 118.95 119.78 3idp s ARG 704 Ca 0.23 0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 56.18 3idp s ARG 704 Cb 0.19 -3.32 0.17 0.00 0.52 0.00 0.00 34.95 32.51 3idp s ARG 704 CO 0.52 0.42 1.09 -1.25 0.02 0.00 0.00 175.30 176.10 3idp s PRO 705 N -0.44 0.71 0.36 3.54 0.04 -1.26 -5.02 135.00 132.93 3idp s PRO 705 Ca 0.33 0.98 0.07 0.00 0.04 0.00 0.00 61.00 62.42 3idp s PRO 705 Cb -0.20 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 3idp s PRO 705 CO 0.20 -2.66 0.40 -0.51 0.04 0.00 0.00 177.00 174.47 3idp s LEU 706 N -6.53 3.70 0.31 -3.56 1.43 -1.26 -4.92 118.68 107.85 3idp s LEU 706 Ca 0.65 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3idp s LEU 706 Cb -0.21 -2.43 0.52 0.00 0.03 0.00 0.00 46.19 44.10 3idp s LEU 706 CO 0.59 -0.49 1.89 -0.26 0.23 0.00 0.00 176.35 178.31 3idp h PHE 707 N 1.01 0.75 -0.68 0.29 0.04 -1.95 -1.17 116.94 115.22 3idp h PHE 707 Ca -0.44 -0.05 0.14 0.00 2.80 0.00 0.00 57.97 60.43 3idp h PHE 707 Cb 1.26 -0.23 -0.10 0.00 2.20 0.00 0.00 35.95 39.08 3idp h PHE 707 CO 0.47 0.61 0.11 -1.35 -0.60 0.00 0.00 178.31 177.55 3idp h PRO 708 N 0.72 0.21 -0.27 1.51 0.11 -1.95 0.39 132.00 132.73 3idp h PRO 708 Ca 0.17 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.16 3idp h PRO 708 Cb 0.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 3idp h PRO 708 CO -0.01 0.14 -0.25 0.37 -0.21 0.00 0.00 178.00 178.04 3idp h GLN 709 N 0.22 0.63 -0.57 1.05 4.15 -1.84 -2.23 115.11 116.53 3idp h GLN 709 Ca 0.37 -0.33 0.05 0.00 0.77 0.00 0.00 58.65 59.51 3idp h GLN 709 Cb 0.61 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.26 3idp h GLN 709 CO -0.50 0.93 0.29 0.82 -1.93 0.00 0.00 178.83 178.44 3idp h ILE 710 N 0.36 0.95 -0.55 2.39 2.04 -0.59 0.44 117.51 122.54 3idp h ILE 710 Ca 0.04 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 3idp h ILE 710 Cb 0.80 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3idp h ILE 710 CO 0.06 0.10 0.02 0.25 0.00 0.00 0.00 178.15 178.58 3idp h LEU 711 N 0.55 0.94 0.21 1.44 5.85 -0.27 -1.75 115.31 122.29 3idp h LEU 711 Ca 0.25 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3idp h LEU 711 Cb 0.17 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3idp h LEU 711 CO -0.18 1.01 -0.15 0.00 -0.34 0.00 0.00 178.44 178.78 3idp h ALA 712 N 0.97 -0.35 -0.70 1.25 0.00 -0.73 -1.83 119.26 117.88 3idp h ALA 712 Ca 0.16 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3idp h ALA 712 Cb 0.52 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 18.37 3idp h ALA 712 CO 0.03 -0.71 -0.18 0.77 0.00 0.00 0.00 179.25 179.16 3idp h SER 713 N -0.37 -0.66 -0.46 0.00 0.02 -0.83 -1.53 113.55 109.72 3idp h SER 713 Ca -0.01 0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 3idp h SER 713 Cb 0.32 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3idp h SER 713 CO 0.00 -0.23 -0.11 0.40 -1.14 0.00 0.00 176.83 175.75 3idp h ILE 714 N -0.00 1.27 0.00 3.27 2.04 -1.08 -2.69 117.51 120.32 3idp h ILE 714 Ca 0.33 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3idp h ILE 714 Cb 0.51 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3idp h ILE 714 CO -0.72 0.42 -0.21 -0.33 0.00 0.00 0.00 178.15 177.31 3idp h GLU 715 N 0.73 0.00 0.28 2.37 5.08 -1.01 -1.64 114.58 120.39 3idp h GLU 715 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3idp h GLU 715 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3idp h GLU 715 CO 0.04 0.21 -0.13 1.25 -1.00 0.00 0.00 179.01 179.39 3idp h LEU 716 N 0.00 -0.32 -1.25 1.33 5.85 -0.97 -3.24 115.31 116.71 3idp h LEU 716 Ca -0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3idp h LEU 716 Cb 0.66 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3idp h LEU 716 CO 0.03 0.05 0.00 0.17 -0.34 0.00 0.00 178.44 178.34 3idp h LEU 717 N -0.71 0.00 -2.94 2.25 8.10 -1.34 -3.00 115.31 117.67 3idp h LEU 717 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.95 3idp h LEU 717 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 3idp h LEU 717 CO 0.06 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.39 3idp n ALA 718 N -2.08 3.87 -0.63 0.17 0.00 -0.63 -2.63 120.51 118.57 3idp n ALA 718 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3idp n ALA 718 Cb 0.33 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3idp n ALA 718 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3idp n ARG 719 N 1.43 0.36 0.00 0.00 1.74 -1.14 -4.99 116.66 114.07 3idp n ARG 719 Ca 0.00 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.56 3idp n ARG 719 Cb 0.50 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 3idp n ARG 719 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54