#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2haz s HIS 487 N 0.00 0.51 0.52 7.33 5.04 -1.26 -5.13 115.29 122.30 2haz s HIS 487 Ca 0.00 -0.10 -0.19 0.00 -1.54 0.00 0.00 55.06 53.23 2haz s HIS 487 Cb 0.00 -0.43 -0.07 0.00 0.04 0.00 0.00 32.58 32.12 2haz s HIS 487 CO 0.00 -0.09 1.06 -1.64 -2.34 0.00 0.00 174.74 171.73 2haz s MET 488 N 0.43 3.60 0.46 2.88 -1.94 -1.26 -5.07 119.30 118.40 2haz s MET 488 Ca -0.05 1.38 0.02 0.00 -1.71 0.00 0.00 55.69 55.33 2haz s MET 488 Cb -0.08 -2.06 0.02 0.00 2.01 0.00 0.00 34.83 34.72 2haz s MET 488 CO -0.00 -0.60 0.18 -0.40 -0.01 0.00 0.00 175.02 174.19 2haz n ASP 489 N -1.27 2.86 -4.76 3.03 3.85 -0.82 -5.01 116.55 114.43 2haz n ASP 489 Ca 0.10 -2.78 -0.31 0.00 -0.71 0.00 0.00 54.79 51.09 2haz n ASP 489 Cb 0.52 0.13 0.10 0.00 -1.35 0.00 0.00 41.12 40.52 2haz n ASP 489 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2haz s THR 490 N -2.47 3.18 0.79 2.12 -4.23 -1.26 -4.23 115.64 109.55 2haz s THR 490 Ca 0.14 0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 60.91 2haz s THR 490 Cb -0.01 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 71.07 2haz s THR 490 CO 0.09 -0.50 1.14 -2.84 -0.54 0.00 0.00 174.62 171.97 2haz s PRO 491 N -4.89 1.88 1.05 3.99 0.02 -1.21 -4.22 135.00 131.64 2haz s PRO 491 Ca 0.62 1.47 -0.18 0.00 0.02 0.00 0.00 61.00 62.93 2haz s PRO 491 Cb -0.18 -1.83 0.25 0.00 0.02 0.00 0.00 34.50 32.76 2haz s PRO 491 CO 0.56 -1.97 1.31 -1.54 -0.33 0.00 0.00 177.00 175.03 2haz s SER 492 N -2.71 2.31 0.29 2.53 1.04 -0.32 -2.03 113.70 114.81 2haz s SER 492 Ca 0.67 0.22 -0.28 0.00 0.48 0.00 0.00 55.95 57.04 2haz s SER 492 Cb -0.22 -0.19 -0.09 0.00 0.10 0.00 0.00 66.02 65.61 2haz s SER 492 CO 0.52 -3.23 0.96 -0.94 0.98 0.00 0.00 173.24 171.53 2haz s SER 493 N -4.77 7.44 0.90 7.02 1.04 -1.25 -4.40 113.70 119.68 2haz s SER 493 Ca 0.76 1.93 -0.11 0.00 0.48 0.00 0.00 55.95 59.00 2haz s SER 493 Cb -0.03 -2.60 0.13 0.00 0.10 0.00 0.00 66.02 63.62 2haz s SER 493 CO 0.54 0.00 1.09 -2.84 0.98 0.00 0.00 173.24 173.02 2haz s PRO 494 N -1.66 1.19 -0.10 4.02 0.02 -1.26 -4.29 135.00 132.93 2haz s PRO 494 Ca 0.46 0.89 0.03 0.00 0.02 0.00 0.00 61.00 62.40 2haz s PRO 494 Cb -0.23 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 2haz s PRO 494 CO 0.29 -2.30 -0.18 -1.12 -0.33 0.00 0.00 177.00 173.35 2haz s SER 495 N -3.32 3.59 -0.26 2.53 0.01 -0.83 -4.32 113.70 111.10 2haz s SER 495 Ca 0.64 -0.40 -0.20 0.00 1.31 0.00 0.00 55.95 57.29 2haz s SER 495 Cb -0.19 -1.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 2haz s SER 495 CO 0.57 0.21 0.63 -0.63 0.41 0.00 0.00 173.24 174.43 2haz s ILE 496 N 0.08 4.98 -0.10 1.44 1.01 -1.26 0.68 121.20 128.03 2haz s ILE 496 Ca -0.08 1.08 -0.03 0.00 0.00 0.00 0.00 60.65 61.61 2haz s ILE 496 Cb -0.15 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 2haz s ILE 496 CO 0.05 0.00 0.10 0.44 0.00 0.00 0.00 174.94 175.54 2haz h ASP 497 N 7.95 -0.02 -5.10 3.58 5.19 -0.32 -3.48 116.42 124.22 2haz h ASP 497 Ca -0.27 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.03 2haz h ASP 497 Cb 1.12 0.01 -0.10 0.00 0.18 0.00 0.00 39.33 40.54 2haz h ASP 497 CO 0.78 0.51 0.01 0.00 -3.12 0.00 0.00 179.24 177.42 2haz s GLN 498 N -1.71 1.35 -0.12 3.56 -2.07 -1.18 -5.03 119.66 114.47 2haz s GLN 498 Ca -0.02 -0.87 0.02 0.00 -1.82 0.00 0.00 55.36 52.67 2haz s GLN 498 Cb -0.00 0.51 0.01 0.00 -1.09 0.00 0.00 33.01 32.44 2haz s GLN 498 CO 0.07 -0.57 -0.19 0.08 -1.32 0.00 0.00 175.29 173.36 2haz s VAL 499 N -3.88 1.81 -0.48 3.63 1.01 -1.26 -0.13 120.40 121.10 2haz s VAL 499 Ca 0.09 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 2haz s VAL 499 Cb -0.01 -1.62 0.11 0.00 0.00 0.00 0.00 36.38 34.86 2haz s VAL 499 CO -0.03 0.50 0.39 -1.61 0.00 0.00 0.00 175.10 174.35 2haz s GLU 500 N 0.83 2.77 0.22 2.72 2.02 0.00 -4.94 118.70 122.33 2haz s GLU 500 Ca -0.08 -1.61 -0.15 0.00 0.02 0.00 0.00 54.97 53.15 2haz s GLU 500 Cb -0.16 -4.07 -0.08 0.00 0.10 0.00 0.00 34.13 29.93 2haz s GLU 500 CO -0.01 -1.16 0.64 -1.25 0.02 0.00 0.00 175.26 173.50 2haz s PRO 501 N 1.51 4.01 0.00 0.39 0.04 -1.26 -0.93 135.00 138.76 2haz s PRO 501 Ca 0.04 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2haz s PRO 501 Cb -0.27 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2haz s PRO 501 CO 0.02 0.35 0.00 0.66 0.04 0.00 0.00 177.00 178.07 2haz n TYR 502 N 0.31 0.00 -0.09 0.56 4.01 0.18 -4.66 117.16 117.47 2haz n TYR 502 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 2haz n TYR 502 Cb 0.52 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.43 2haz n TYR 502 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2haz h SER 503 N 0.00 0.00 0.00 7.72 0.02 -1.91 -0.08 113.55 119.29 2haz h SER 503 Ca 0.00 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2haz h SER 503 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2haz h SER 503 CO 0.00 1.28 0.00 -1.54 -1.14 0.00 0.00 176.83 175.43 2haz n SER 504 N -4.51 1.10 -4.16 3.07 3.41 -1.26 -2.95 113.62 108.32 2haz n SER 504 Ca -0.23 -1.30 -0.10 0.00 -0.26 0.00 0.00 58.87 56.98 2haz n SER 504 Cb 0.59 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 2haz n SER 504 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2haz s THR 505 N -0.30 0.10 -0.16 6.66 -4.23 -1.26 -0.85 115.64 115.59 2haz s THR 505 Ca 0.00 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 58.39 2haz s THR 505 Cb 0.00 -2.11 0.05 0.00 1.34 0.00 0.00 72.50 71.78 2haz s THR 505 CO 0.00 -0.40 0.53 0.00 -0.54 0.00 0.00 174.62 174.21 2haz s ALA 506 N -4.05 -1.32 -0.31 3.99 0.00 -0.67 -0.65 121.76 118.74 2haz s ALA 506 Ca 0.26 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.45 2haz s ALA 506 Cb 0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2haz s ALA 506 CO 0.03 -0.27 0.33 -0.65 0.00 0.00 0.00 175.76 175.21 2haz s GLN 507 N -0.06 3.73 -0.40 0.00 -1.52 -0.11 -1.10 119.66 120.21 2haz s GLN 507 Ca -0.03 -0.30 -0.16 0.00 -1.95 0.00 0.00 55.36 52.92 2haz s GLN 507 Cb -0.03 -3.74 0.01 0.00 -0.22 0.00 0.00 33.01 29.02 2haz s GLN 507 CO 0.02 -0.41 0.39 0.08 -0.25 0.00 0.00 175.29 175.12 2haz s VAL 508 N 1.98 5.14 -0.11 1.09 1.01 0.60 -0.82 120.40 129.30 2haz s VAL 508 Ca 0.12 -0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 2haz s VAL 508 Cb -0.16 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2haz s VAL 508 CO 0.11 -0.31 0.68 -1.10 0.00 0.00 0.00 175.10 174.48 2haz s GLN 509 N 2.01 4.37 0.06 2.72 -0.21 0.82 -1.99 119.66 127.44 2haz s GLN 509 Ca 0.10 0.81 -0.04 0.00 0.02 0.00 0.00 55.36 56.25 2haz s GLN 509 Cb -0.17 -3.48 -0.02 0.00 1.00 0.00 0.00 33.01 30.33 2haz s GLN 509 CO 0.12 -0.03 0.07 -0.59 -2.12 0.00 0.00 175.29 172.74 2haz s PHE 510 N 1.14 0.35 -0.10 0.91 -0.12 -0.84 0.48 117.98 119.79 2haz s PHE 510 Ca 0.35 -0.82 -0.05 0.00 -0.05 0.00 0.00 56.93 56.36 2haz s PHE 510 Cb -0.17 -0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 2haz s PHE 510 CO 0.15 -0.44 0.08 -0.51 -0.05 0.00 0.00 175.22 174.45 2haz s ASP 511 N -2.80 5.85 0.69 1.98 1.01 0.21 -4.79 116.67 118.83 2haz s ASP 511 Ca 0.05 0.32 -0.16 0.00 0.71 0.00 0.00 52.55 53.46 2haz s ASP 511 Cb 0.06 -1.79 -0.01 0.00 1.01 0.00 0.00 42.92 42.19 2haz s ASP 511 CO -0.10 0.39 0.92 -0.62 0.21 0.00 0.00 175.17 175.97 2haz n GLU 512 N 2.06 0.57 -1.59 8.23 4.71 -1.26 -1.97 120.64 131.39 2haz n GLU 512 Ca -0.19 0.25 -0.41 0.00 -0.01 0.00 0.00 57.16 56.79 2haz n GLU 512 Cb 0.54 -2.16 0.02 0.00 -1.01 0.00 0.00 31.44 28.82 2haz n GLU 512 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2haz n PRO 513 N -1.54 1.21 -0.22 3.49 -0.02 -1.26 -4.62 135.00 132.03 2haz n PRO 513 Ca 0.13 0.44 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 2haz n PRO 513 Cb 0.49 -2.00 0.03 0.00 -0.02 0.00 0.00 33.50 32.00 2haz n PRO 513 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2haz h GLU 514 N 1.33 0.96 -5.32 -0.52 4.39 -1.86 -3.42 114.58 110.13 2haz h GLU 514 Ca -0.44 -0.21 -0.67 0.00 0.34 0.00 0.00 59.36 58.37 2haz h GLU 514 Cb 1.35 -0.14 -0.31 0.00 -0.10 0.00 0.00 28.75 29.55 2haz h GLU 514 CO 0.55 0.85 -0.83 0.00 -1.16 0.00 0.00 179.01 178.42 2haz s ALA 515 N -5.39 2.35 -0.39 3.43 0.00 -1.26 -4.97 121.76 115.52 2haz s ALA 515 Ca -0.13 -0.94 0.24 0.00 0.00 0.00 0.00 51.96 51.13 2haz s ALA 515 Cb 0.13 -0.98 1.05 0.00 0.00 0.00 0.00 23.12 23.32 2haz s ALA 515 CO 0.81 0.26 1.73 1.79 0.00 0.00 0.00 175.76 180.35 2haz h THR 516 N 5.60 0.00 0.00 0.00 1.35 -1.86 -0.83 112.91 117.17 2haz h THR 516 Ca -0.22 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2haz h THR 516 Cb 1.23 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2haz h THR 516 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 2haz n GLY 517 N -0.21 3.27 0.00 5.82 0.00 -1.26 -3.28 105.19 109.53 2haz n GLY 517 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2haz n GLY 517 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2haz n GLY 518 N -2.00 1.28 3.26 -0.02 0.00 -1.26 -1.94 105.19 104.51 2haz n GLY 518 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2haz n GLY 518 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2haz s VAL 519 N -0.42 1.54 0.44 1.61 -7.23 -1.26 -5.03 120.40 110.05 2haz s VAL 519 Ca 0.00 -1.58 -0.26 0.00 -1.81 0.00 0.00 61.98 58.33 2haz s VAL 519 Cb 0.00 -1.49 -0.09 0.00 0.56 0.00 0.00 36.38 35.36 2haz s VAL 519 CO 0.00 -0.19 1.44 -2.16 -0.31 0.00 0.00 175.10 173.87 2haz s PRO 520 N -2.14 3.73 0.18 4.82 0.04 -1.26 -4.76 135.00 135.61 2haz s PRO 520 Ca 0.06 2.44 -0.32 0.00 0.04 0.00 0.00 61.00 63.23 2haz s PRO 520 Cb -0.08 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 31.66 2haz s PRO 520 CO 0.04 -0.79 1.59 0.42 0.04 0.00 0.00 177.00 178.30 2haz s ILE 521 N -1.19 2.53 -0.20 0.56 -1.09 -1.26 -4.29 121.20 116.25 2haz s ILE 521 Ca 0.60 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.40 2haz s ILE 521 Cb -0.44 -3.24 -0.13 0.00 -1.58 0.00 0.00 42.46 37.07 2haz s ILE 521 CO 0.57 0.03 -0.19 0.18 -1.23 0.00 0.00 174.94 174.31 2haz n LEU 522 N 3.90 2.83 -3.84 2.97 4.77 0.19 -4.83 117.00 122.99 2haz n LEU 522 Ca 0.14 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 2haz n LEU 522 Cb 0.38 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 2haz n LEU 522 CO 0.62 0.80 0.03 -0.54 -1.33 0.00 0.00 177.39 176.96 2haz s LYS 523 N -2.40 1.08 0.07 3.23 1.02 -1.14 -3.01 119.74 118.59 2haz s LYS 523 Ca -0.27 -0.98 0.06 0.00 0.02 0.00 0.00 55.97 54.79 2haz s LYS 523 Cb 0.07 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.75 2haz s LYS 523 CO 0.45 -0.40 -0.09 0.71 -0.92 0.00 0.00 175.35 175.10 2haz s TYR 524 N -3.89 2.78 -0.17 3.18 2.02 0.13 -0.43 117.35 120.96 2haz s TYR 524 Ca 0.10 -0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.67 2haz s TYR 524 Cb 0.03 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 40.10 2haz s TYR 524 CO -0.06 0.40 -0.14 0.21 -1.57 0.00 0.00 175.55 174.39 2haz s LYS 525 N -1.96 3.19 -0.16 -0.62 2.20 0.67 -0.42 119.74 122.64 2haz s LYS 525 Ca 0.20 -0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 54.96 2haz s LYS 525 Cb -0.11 -2.69 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 2haz s LYS 525 CO 0.12 -0.08 0.20 0.00 -0.36 0.00 0.00 175.35 175.23 2haz s ALA 526 N 1.06 3.70 -0.07 3.13 0.00 -0.67 -1.42 121.76 127.48 2haz s ALA 526 Ca -0.01 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.42 2haz s ALA 526 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 2haz s ALA 526 CO -0.04 0.25 -0.23 -1.21 0.00 0.00 0.00 175.76 174.53 2haz s GLU 527 N 0.02 2.76 0.05 0.00 2.02 -0.60 -1.54 118.70 121.41 2haz s GLU 527 Ca 0.13 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.26 2haz s GLU 527 Cb -0.12 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 2haz s GLU 527 CO 0.02 0.33 -0.05 1.67 0.02 0.00 0.00 175.26 177.25 2haz s TRP 528 N -0.01 0.54 -0.10 1.61 -2.14 0.11 -1.35 118.94 117.59 2haz s TRP 528 Ca -0.08 -0.73 -0.19 0.00 2.66 0.00 0.00 56.10 57.77 2haz s TRP 528 Cb -0.15 -0.35 0.04 0.00 -3.10 0.00 0.00 33.47 29.91 2haz s TRP 528 CO 0.05 -0.20 0.47 -0.98 -2.66 0.00 0.00 176.95 173.63 2haz s ARG 529 N -2.53 0.71 0.10 3.25 1.70 -0.17 0.08 118.95 122.09 2haz s ARG 529 Ca -0.04 0.31 -0.31 0.00 -0.47 0.00 0.00 55.73 55.22 2haz s ARG 529 Cb -0.03 0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 2haz s ARG 529 CO -0.04 -0.16 1.57 0.00 -1.08 0.00 0.00 175.30 175.59 2haz s ALA 530 N -0.57 3.69 0.22 7.88 0.00 -1.26 -0.53 121.76 131.20 2haz s ALA 530 Ca -0.07 1.22 -0.32 0.00 0.00 0.00 0.00 51.96 52.79 2haz s ALA 530 Cb -0.03 -3.64 -0.13 0.00 0.00 0.00 0.00 23.12 19.31 2haz s ALA 530 CO 0.04 -0.92 1.48 0.28 0.00 0.00 0.00 175.76 176.64 2haz n VAL 531 N 4.38 0.66 0.00 0.00 0.31 -0.10 -1.15 118.33 122.43 2haz n VAL 531 Ca 0.14 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2haz n VAL 531 Cb 0.40 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 2haz n VAL 531 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2haz n GLY 532 N 2.57 3.36 3.92 2.92 0.00 -1.26 -4.96 105.19 111.74 2haz n GLY 532 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2haz n GLY 532 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2haz s GLU 533 N -0.75 3.55 -0.07 1.61 2.02 -0.30 -5.04 118.70 119.72 2haz s GLU 533 Ca 0.00 -0.24 0.09 0.00 0.02 0.00 0.00 54.97 54.83 2haz s GLU 533 Cb 0.00 -2.77 -0.24 0.00 0.10 0.00 0.00 34.13 31.23 2haz s GLU 533 CO 0.00 0.32 0.56 0.39 0.02 0.00 0.00 175.26 176.55 2haz n GLU 534 N -0.85 0.66 -2.50 1.61 1.02 -1.26 -4.83 120.64 114.49 2haz n GLU 534 Ca -0.04 0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 2haz n GLU 534 Cb 0.54 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 2haz n GLU 534 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2haz s VAL 535 N -2.58 4.33 0.04 2.62 1.01 -1.26 -5.03 120.40 119.53 2haz s VAL 535 Ca -0.09 1.66 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 2haz s VAL 535 Cb 0.08 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 2haz s VAL 535 CO 0.81 0.04 0.44 0.26 0.00 0.00 0.00 175.10 176.65 2haz s TRP 536 N 1.84 3.70 0.01 5.22 0.52 -1.26 -4.65 118.94 124.31 2haz s TRP 536 Ca 0.55 1.00 0.02 0.00 0.02 0.00 0.00 56.10 57.69 2haz s TRP 536 Cb -0.24 -2.30 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 2haz s TRP 536 CO 0.24 0.59 -0.01 -1.01 0.02 0.00 0.00 176.95 176.78 2haz s HIS 537 N -1.19 3.04 0.01 -1.98 3.76 0.11 -4.92 115.29 114.12 2haz s HIS 537 Ca 0.28 0.05 -0.08 0.00 -0.15 0.00 0.00 55.06 55.15 2haz s HIS 537 Cb -0.16 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 31.89 2haz s HIS 537 CO 0.16 0.45 0.17 -1.54 -0.85 0.00 0.00 174.74 173.12 2haz s SER 538 N -1.65 0.02 -0.10 1.40 1.04 -1.26 0.10 113.70 113.25 2haz s SER 538 Ca 0.20 -0.26 -0.14 0.00 0.48 0.00 0.00 55.95 56.23 2haz s SER 538 Cb -0.11 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.28 2haz s SER 538 CO 0.11 -0.44 0.36 -0.75 0.98 0.00 0.00 173.24 173.50 2haz s LYS 539 N -1.82 0.53 0.19 4.02 2.20 -0.59 -5.02 119.74 119.25 2haz s LYS 539 Ca -0.11 0.30 -0.13 0.00 -0.36 0.00 0.00 55.97 55.66 2haz s LYS 539 Cb -0.05 0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.45 2haz s LYS 539 CO -0.00 -0.10 0.58 -1.58 -0.36 0.00 0.00 175.35 173.88 2haz s TRP 540 N -0.30 3.53 -0.01 4.03 0.52 -1.26 -1.68 118.94 123.77 2haz s TRP 540 Ca -0.04 1.04 0.01 0.00 0.02 0.00 0.00 56.10 57.12 2haz s TRP 540 Cb -0.03 -2.37 0.00 0.00 -1.15 0.00 0.00 33.47 29.92 2haz s TRP 540 CO 0.02 0.35 -0.03 0.71 0.02 0.00 0.00 176.95 178.01 2haz s TYR 541 N -1.62 0.38 0.30 -1.98 2.02 0.44 -4.98 117.35 111.90 2haz s TYR 541 Ca 0.42 -0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.76 2haz s TYR 541 Cb -0.14 -0.29 -0.11 0.00 -0.40 0.00 0.00 41.96 41.02 2haz s TYR 541 CO 0.20 -0.04 1.57 -0.51 -1.57 0.00 0.00 175.55 175.20 2haz s ASP 542 N 0.17 6.38 0.23 2.29 1.01 -1.26 0.18 116.67 125.67 2haz s ASP 542 Ca -0.01 2.95 -0.05 0.00 0.71 0.00 0.00 52.55 56.14 2haz s ASP 542 Cb -0.05 -2.64 0.22 0.00 1.01 0.00 0.00 42.92 41.47 2haz s ASP 542 CO -0.00 -0.90 1.72 0.00 0.21 0.00 0.00 175.17 176.20 2haz h ALA 543 N 4.61 1.00 0.29 5.23 0.00 -1.85 -2.92 119.26 125.62 2haz h ALA 543 Ca -0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2haz h ALA 543 Cb 1.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2haz h ALA 543 CO 0.77 0.62 -0.14 -0.22 0.00 0.00 0.00 179.25 180.28 2haz h LYS 544 N 0.88 -0.37 -0.24 0.00 3.64 -1.90 -1.37 116.57 117.20 2haz h LYS 544 Ca 0.17 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 2haz h LYS 544 Cb 0.46 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2haz h LYS 544 CO 0.02 -0.15 -0.29 0.93 -2.27 0.00 0.00 179.45 177.69 2haz h GLU 545 N -0.53 0.49 -0.28 1.90 3.07 -1.98 -2.23 114.58 115.02 2haz h GLU 545 Ca -0.04 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.56 2haz h GLU 545 Cb 0.39 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2haz h GLU 545 CO 0.06 0.73 -0.05 0.00 -1.40 0.00 0.00 179.01 178.35 2haz h ALA 546 N 1.27 0.39 0.00 3.43 0.00 -1.43 -0.49 119.26 122.43 2haz h ALA 546 Ca 0.06 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2haz h ALA 546 Cb 0.72 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2haz h ALA 546 CO 0.06 0.19 -0.55 0.66 0.00 0.00 0.00 179.25 179.60 2haz h SER 547 N 0.30 0.00 0.01 0.00 4.64 -1.18 0.37 113.55 117.69 2haz h SER 547 Ca 0.07 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.25 2haz h SER 547 Cb 0.52 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2haz h SER 547 CO 0.02 0.55 -0.57 0.24 -0.87 0.00 0.00 176.83 176.21 2haz h MET 548 N 0.00 0.38 0.00 4.77 2.07 -1.31 -3.28 114.93 117.55 2haz h MET 548 Ca -0.01 -0.41 -0.16 0.00 -2.07 0.00 0.00 59.70 57.06 2haz h MET 548 Cb 1.14 0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.96 2haz h MET 548 CO 0.07 1.09 -0.75 1.49 1.07 0.00 0.00 176.91 179.89 2haz h GLU 549 N -0.16 0.00 0.00 1.72 4.57 -1.07 -3.48 114.58 116.16 2haz h GLU 549 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2haz h GLU 549 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 2haz h GLU 549 CO 0.11 0.75 0.00 0.41 -1.18 0.00 0.00 179.01 179.10 2haz n GLY 550 N 0.74 0.78 3.19 1.92 0.00 0.13 -5.04 105.19 106.92 2haz n GLY 550 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2haz n GLY 550 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2haz s ILE 551 N -2.96 0.92 0.05 -0.61 -4.36 -1.10 -1.98 121.20 111.17 2haz s ILE 551 Ca 0.00 -1.85 0.07 0.00 -0.26 0.00 0.00 60.65 58.61 2haz s ILE 551 Cb 0.00 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.09 2haz s ILE 551 CO 0.00 -0.71 -0.19 0.68 0.24 0.00 0.00 174.94 174.96 2haz s VAL 552 N -3.05 1.54 -0.26 8.37 -7.23 -0.84 -4.43 120.40 114.50 2haz s VAL 552 Ca 0.10 -1.22 -0.08 0.00 -1.81 0.00 0.00 61.98 58.98 2haz s VAL 552 Cb 0.01 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 2haz s VAL 552 CO -0.01 0.10 0.08 -0.89 -0.31 0.00 0.00 175.10 174.07 2haz s THR 553 N -0.89 4.33 0.11 5.32 2.01 -1.26 -0.29 115.64 124.97 2haz s THR 553 Ca 0.06 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 61.77 2haz s THR 553 Cb -0.09 -3.05 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 2haz s THR 553 CO 0.02 0.31 0.40 0.27 -0.69 0.00 0.00 174.62 174.92 2haz s ILE 554 N 1.61 5.12 0.37 1.82 -4.36 -0.26 -4.95 121.20 120.55 2haz s ILE 554 Ca 0.06 0.29 0.04 0.00 -0.26 0.00 0.00 60.65 60.77 2haz s ILE 554 Cb -0.15 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 2haz s ILE 554 CO 0.04 0.17 0.11 0.68 0.24 0.00 0.00 174.94 176.18 2haz s VAL 555 N -1.52 0.72 -1.46 8.37 -7.23 -1.26 -1.67 120.40 116.34 2haz s VAL 555 Ca 0.37 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2haz s VAL 555 Cb -0.13 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.32 2haz s VAL 555 CO 0.21 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2haz n GLY 556 N -0.80 -0.10 3.90 2.32 0.00 -1.02 -4.93 105.19 104.56 2haz n GLY 556 Ca -0.04 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 2haz n GLY 556 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2haz s LEU 557 N -4.67 3.64 -0.05 0.99 1.43 -0.03 -5.06 118.68 114.93 2haz s LEU 557 Ca 0.00 0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 53.99 2haz s LEU 557 Cb 0.00 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 2haz s LEU 557 CO 0.00 -0.56 0.27 -0.54 0.23 0.00 0.00 176.35 175.75 2haz s LYS 558 N -4.61 3.66 0.83 1.70 1.02 -1.26 -4.38 119.74 116.70 2haz s LYS 558 Ca 0.48 0.11 -0.12 0.00 0.02 0.00 0.00 55.97 56.46 2haz s LYS 558 Cb -0.10 -3.18 0.10 0.00 -0.52 0.00 0.00 37.83 34.12 2haz s LYS 558 CO 0.43 0.72 1.17 -2.14 -0.92 0.00 0.00 175.35 174.62 2haz s PRO 559 N -1.16 1.54 -1.36 -1.68 0.02 -1.15 -3.72 135.00 127.50 2haz s PRO 559 Ca 0.20 1.62 -0.08 0.00 0.02 0.00 0.00 61.00 62.77 2haz s PRO 559 Cb -0.14 -1.78 0.05 0.00 0.02 0.00 0.00 34.50 32.65 2haz s PRO 559 CO 0.10 -2.26 0.52 0.39 -0.33 0.00 0.00 177.00 175.42 2haz n GLU 560 N -3.58 -3.83 -4.77 5.54 1.02 -0.96 -4.94 120.64 109.12 2haz n GLU 560 Ca 0.12 0.60 -0.25 0.00 -0.02 0.00 0.00 57.16 57.61 2haz n GLU 560 Cb 0.51 -5.35 -0.16 0.00 -0.02 0.00 0.00 31.44 26.42 2haz n GLU 560 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2haz s THR 561 N -3.00 1.32 -0.07 2.62 2.01 -1.24 -4.88 115.64 112.41 2haz s THR 561 Ca 0.37 -0.66 -0.25 0.00 0.31 0.00 0.00 61.69 61.45 2haz s THR 561 Cb -0.19 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 2haz s THR 561 CO 0.45 0.38 0.77 -0.89 -0.69 0.00 0.00 174.62 174.65 2haz s THR 562 N 0.01 4.99 0.18 -0.82 2.01 -1.26 -1.55 115.64 119.20 2haz s THR 562 Ca -0.02 1.59 0.11 0.00 0.31 0.00 0.00 61.69 63.67 2haz s THR 562 Cb -0.10 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2haz s THR 562 CO 0.02 0.20 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.61 2haz s TYR 563 N 1.03 2.18 -0.12 4.92 2.02 0.11 -0.92 117.35 126.58 2haz s TYR 563 Ca 0.40 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.68 2haz s TYR 563 Cb -0.18 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2haz s TYR 563 CO 0.19 0.46 0.05 0.00 -1.57 0.00 0.00 175.55 174.67 2haz s ALA 564 N -1.74 3.44 0.04 3.71 0.00 0.31 -1.15 121.76 126.37 2haz s ALA 564 Ca 0.19 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.45 2haz s ALA 564 Cb -0.07 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 2haz s ALA 564 CO 0.09 0.49 -0.14 0.54 0.00 0.00 0.00 175.76 176.73 2haz s VAL 565 N -0.58 1.12 0.06 0.00 0.11 -0.19 -1.00 120.40 119.92 2haz s VAL 565 Ca 0.11 -0.97 -0.03 0.00 -2.93 0.00 0.00 61.98 58.15 2haz s VAL 565 Cb -0.12 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 2haz s VAL 565 CO 0.02 0.03 0.03 0.00 -3.33 0.00 0.00 175.10 171.85 2haz s ARG 566 N -1.08 0.68 0.02 1.54 1.70 -0.46 -0.47 118.95 120.88 2haz s ARG 566 Ca 0.02 -1.17 0.04 0.00 -0.47 0.00 0.00 55.73 54.15 2haz s ARG 566 Cb -0.08 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 2haz s ARG 566 CO 0.01 -0.15 -0.13 -0.51 -1.08 0.00 0.00 175.30 173.44 2haz s LEU 567 N -2.91 2.12 0.03 -1.89 1.43 -1.26 -1.55 118.68 114.64 2haz s LEU 567 Ca 0.07 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2haz s LEU 567 Cb 0.07 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 2haz s LEU 567 CO -0.10 0.06 -0.09 0.00 0.23 0.00 0.00 176.35 176.46 2haz s ALA 568 N -0.66 0.68 -0.01 4.21 0.00 -0.51 -0.27 121.76 125.20 2haz s ALA 568 Ca 0.02 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 2haz s ALA 568 Cb -0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2haz s ALA 568 CO 0.01 0.08 0.38 0.00 0.00 0.00 0.00 175.76 176.22 2haz s ALA 569 N -0.86 3.72 -0.20 0.00 0.00 -1.26 -0.24 121.76 122.93 2haz s ALA 569 Ca -0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 2haz s ALA 569 Cb -0.07 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2haz s ALA 569 CO 0.00 0.50 0.05 -1.17 0.00 0.00 0.00 175.76 175.14 2haz s LEU 570 N -1.12 3.60 0.00 0.00 2.96 0.43 -0.32 118.68 124.22 2haz s LEU 570 Ca 0.23 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 2haz s LEU 570 Cb -0.16 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.61 2haz s LEU 570 CO 0.13 0.11 0.01 -0.46 -1.32 0.00 0.00 176.35 174.81 2haz n ASN 571 N 3.95 1.78 0.24 3.68 0.23 -0.56 0.55 115.26 125.14 2haz n ASN 571 Ca -0.17 -1.14 0.18 0.00 -0.53 0.00 0.00 54.58 52.93 2haz n ASN 571 Cb 0.52 0.01 0.89 0.00 -2.08 0.00 0.00 39.78 39.12 2haz n ASN 571 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2haz h GLY 572 N 0.07 0.00 1.48 4.83 0.00 -1.87 -1.38 103.07 106.20 2haz h GLY 572 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2haz h GLY 572 CO 0.04 0.00 -0.77 0.50 0.00 0.00 0.00 176.54 176.31 2haz h LYS 573 N 0.00 0.00 0.00 4.80 1.79 -1.95 -3.51 116.57 117.70 2haz h LYS 573 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2haz h LYS 573 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2haz h LYS 573 CO -0.00 0.23 0.00 0.41 -1.08 0.00 0.00 179.45 179.01 2haz n GLY 574 N 1.24 0.86 3.71 3.86 0.00 -0.52 -4.91 105.19 109.43 2haz n GLY 574 Ca -0.01 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 2haz n GLY 574 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2haz s LEU 575 N 0.00 4.36 0.00 0.99 2.96 -1.26 -1.50 118.68 124.23 2haz s LEU 575 Ca 0.00 1.64 -0.03 0.00 -0.22 0.00 0.00 54.13 55.52 2haz s LEU 575 Cb 0.00 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 43.18 2haz s LEU 575 CO 0.00 -0.28 0.33 0.61 -1.32 0.00 0.00 176.35 175.69 2haz n GLY 576 N 2.92 -0.79 3.74 7.98 0.00 0.56 -4.83 105.19 114.77 2haz n GLY 576 Ca 0.06 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 2haz n GLY 576 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2haz n GLU 577 N -1.67 2.74 -2.45 1.61 2.13 -0.86 -4.68 120.64 117.45 2haz n GLU 577 Ca 0.04 0.98 -0.39 0.00 0.66 0.00 0.00 57.16 58.45 2haz n GLU 577 Cb 0.15 -2.78 -0.04 0.00 0.27 0.00 0.00 31.44 29.05 2haz n GLU 577 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2haz s ILE 578 N 0.16 3.47 0.94 6.31 -4.36 -1.26 -3.92 121.20 122.53 2haz s ILE 578 Ca 0.65 1.35 -0.11 0.00 -0.26 0.00 0.00 60.65 62.29 2haz s ILE 578 Cb -0.49 -3.81 0.16 0.00 1.25 0.00 0.00 42.46 39.57 2haz s ILE 578 CO 0.46 0.22 1.12 -0.94 0.24 0.00 0.00 174.94 176.04 2haz s SER 579 N -1.08 2.81 0.44 4.36 1.04 0.62 -4.84 113.70 117.05 2haz s SER 579 Ca 0.50 1.99 -0.26 0.00 0.48 0.00 0.00 55.95 58.66 2haz s SER 579 Cb -0.29 -2.50 -0.08 0.00 0.10 0.00 0.00 66.02 63.25 2haz s SER 579 CO 0.38 -3.14 1.42 0.00 0.98 0.00 0.00 173.24 172.88 2haz s ALA 580 N -2.67 3.26 0.38 5.32 0.00 -1.26 -4.67 121.76 122.13 2haz s ALA 580 Ca 0.66 1.45 -0.26 0.00 0.00 0.00 0.00 51.96 53.80 2haz s ALA 580 Cb -0.22 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.23 2haz s ALA 580 CO 0.59 -1.14 1.23 0.00 0.00 0.00 0.00 175.76 176.44 2haz s ALA 581 N -1.20 3.27 -0.09 0.00 0.00 -1.26 -4.77 121.76 117.71 2haz s ALA 581 Ca 0.60 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.69 2haz s ALA 581 Cb -0.43 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 2haz s ALA 581 CO 0.56 -0.62 -0.18 0.45 0.00 0.00 0.00 175.76 175.97 2haz s SER 582 N -0.86 3.62 -0.14 0.00 0.15 0.38 -4.93 113.70 111.92 2haz s SER 582 Ca 0.54 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.76 2haz s SER 582 Cb -0.35 -1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 2haz s SER 582 CO 0.45 0.23 0.05 -1.61 1.20 0.00 0.00 173.24 173.56 2haz s GLU 583 N -0.06 3.51 0.23 5.44 8.01 -1.26 -1.03 118.70 133.55 2haz s GLU 583 Ca -0.05 -0.34 0.01 0.00 0.01 0.00 0.00 54.97 54.60 2haz s GLU 583 Cb -0.14 -3.04 -0.04 0.00 -4.31 0.00 0.00 34.13 26.60 2haz s GLU 583 CO 0.04 0.51 0.16 -0.59 0.01 0.00 0.00 175.26 175.40 2haz s PHE 584 N -0.32 1.29 -0.06 1.61 -0.12 -0.30 -4.99 117.98 115.09 2haz s PHE 584 Ca 0.08 -1.44 0.02 0.00 -0.05 0.00 0.00 56.93 55.54 2haz s PHE 584 Cb -0.12 -0.59 0.01 0.00 -0.63 0.00 0.00 43.02 41.69 2haz s PHE 584 CO 0.02 -0.69 -0.11 0.21 -0.05 0.00 0.00 175.22 174.60 2haz s LYS 585 N -4.00 1.50 0.38 1.99 2.20 -1.26 0.06 119.74 120.60 2haz s LYS 585 Ca 0.39 -0.37 -0.26 0.00 -0.36 0.00 0.00 55.97 55.38 2haz s LYS 585 Cb 0.06 -1.28 -0.09 0.00 -1.51 0.00 0.00 37.83 35.01 2haz s LYS 585 CO 0.15 0.03 1.15 0.95 -0.36 0.00 0.00 175.35 177.28 2haz s THR 586 N 0.61 3.27 0.69 3.43 -4.23 -0.60 -4.76 115.64 114.06 2haz s THR 586 Ca -0.12 1.08 -0.15 0.00 -1.18 0.00 0.00 61.69 61.32 2haz s THR 586 Cb -0.15 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.10 2haz s THR 586 CO 0.03 0.12 1.15 -1.10 -0.54 0.00 0.00 174.62 174.27 2haz s GLN 587 N -2.19 2.52 0.45 3.99 -0.21 -0.04 -2.27 119.66 121.89 2haz s GLN 587 Ca 0.55 1.53 -0.25 0.00 0.02 0.00 0.00 55.36 57.21 2haz s GLN 587 Cb -0.30 -1.90 -0.08 0.00 1.00 0.00 0.00 33.01 31.73 2haz s GLN 587 CO 0.38 -1.49 1.32 -1.25 -2.12 0.00 0.00 175.29 172.12 2haz s PRO 588 N -4.04 3.74 0.00 2.91 0.04 -1.26 -2.41 135.00 133.99 2haz s PRO 588 Ca 0.70 2.18 0.04 0.00 0.04 0.00 0.00 61.00 63.95 2haz s PRO 588 Cb -0.24 -2.61 0.21 0.00 0.04 0.00 0.00 34.50 31.91 2haz s PRO 588 CO 0.43 -0.69 0.69 0.28 0.04 0.00 0.00 177.00 177.75