#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qma n PRO 476 N 0.00 2.40 0.17 0.00 -0.04 -1.26 -4.52 135.00 131.75 2qma n PRO 476 Ca 0.00 -1.39 0.06 0.00 -0.04 0.00 0.00 63.50 62.14 2qma n PRO 476 Cb 0.00 -2.30 0.56 0.00 -0.04 0.00 0.00 33.50 31.72 2qma n PRO 476 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2qma h GLN 477 N 4.49 0.19 -0.60 0.54 4.20 -2.06 -1.13 115.11 120.75 2qma h GLN 477 Ca 0.45 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.12 2qma h GLN 477 Cb 0.75 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 2qma h GLN 477 CO 0.97 0.13 0.26 0.93 -0.67 0.00 0.00 178.83 180.46 2qma h GLU 478 N 0.20 0.85 -0.21 1.46 4.39 -2.02 -0.86 114.58 118.39 2qma h GLU 478 Ca 0.05 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 2qma h GLU 478 Cb -0.02 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2qma h GLU 478 CO -0.01 0.68 -0.34 1.49 -1.16 0.00 0.00 179.01 179.67 2qma h GLU 479 N 0.85 0.45 0.00 2.33 4.81 -1.59 -2.95 114.58 118.48 2qma h GLU 479 Ca 0.21 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2qma h GLU 479 Cb 0.12 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2qma h GLU 479 CO -0.02 0.73 -0.35 -1.49 -0.73 0.00 0.00 179.01 177.14 2qma h TRP 480 N 0.38 0.00 -0.64 0.92 6.55 -1.02 -3.24 115.95 118.90 2qma h TRP 480 Ca 0.05 0.00 0.10 0.00 0.95 0.00 0.00 58.89 59.99 2qma h TRP 480 Cb 0.78 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 29.04 2qma h TRP 480 CO 0.02 0.35 0.43 0.87 -1.05 0.00 0.00 178.44 179.07 2qma h LYS 481 N 0.00 0.45 0.00 0.49 1.57 -1.01 -0.87 116.57 117.20 2qma h LYS 481 Ca -0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2qma h LYS 481 Cb 0.95 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 2qma h LYS 481 CO 0.05 0.30 -0.07 1.57 -0.57 0.00 0.00 179.45 180.72 2qma h LYS 482 N 0.46 0.00 0.00 3.15 2.10 -1.73 -2.12 116.57 118.43 2qma h LYS 482 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 2qma h LYS 482 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2qma h LYS 482 CO -0.09 0.07 0.00 0.72 -2.00 0.00 0.00 179.45 178.16 2qma n HIS 483 N -3.89 0.00 -4.23 0.07 8.25 -0.33 -4.84 115.22 110.25 2qma n HIS 483 Ca -0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.26 2qma n HIS 483 Cb 0.17 -0.23 -0.11 0.00 1.12 0.00 0.00 29.99 30.93 2qma n HIS 483 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2qma s PHE 484 N -2.47 1.35 0.22 4.41 0.08 -0.80 -5.14 117.98 115.64 2qma s PHE 484 Ca 0.29 -0.56 -0.24 0.00 0.12 0.00 0.00 56.93 56.54 2qma s PHE 484 Cb 0.19 -0.71 -0.09 0.00 -0.57 0.00 0.00 43.02 41.84 2qma s PHE 484 CO 0.40 0.12 0.81 0.42 -0.10 0.00 0.00 175.22 176.87 2qma s ILE 485 N -2.11 4.37 0.13 0.64 1.01 -1.26 -4.92 121.20 119.05 2qma s ILE 485 Ca 0.08 1.63 0.07 0.00 0.00 0.00 0.00 60.65 62.43 2qma s ILE 485 Cb -0.05 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2qma s ILE 485 CO 0.03 0.35 -0.16 -1.00 0.00 0.00 0.00 174.94 174.16 2qma s HIS 486 N -1.36 1.51 0.76 3.97 3.76 -0.94 -5.05 115.29 117.94 2qma s HIS 486 Ca 0.41 -0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 54.69 2qma s HIS 486 Cb -0.20 -0.79 0.06 0.00 1.11 0.00 0.00 32.58 32.75 2qma s HIS 486 CO 0.25 0.19 1.13 0.95 -0.85 0.00 0.00 174.74 176.41 2qma s THR 487 N -1.99 2.55 0.03 1.30 -4.23 -1.26 -3.64 115.64 108.39 2qma s THR 487 Ca 0.10 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2qma s THR 487 Cb -0.06 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.61 2qma s THR 487 CO 0.04 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 2qma n GLY 488 N -3.17 -2.14 3.70 3.99 0.00 -1.26 -4.37 105.19 101.93 2qma n GLY 488 Ca 0.08 -1.45 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 2qma n GLY 488 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qma n GLU 489 N -1.02 2.40 -0.01 1.61 2.13 -1.26 -1.72 120.64 122.76 2qma n GLU 489 Ca 0.00 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.68 2qma n GLU 489 Cb 0.06 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.14 2qma n GLU 489 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2qma n LEU 490 N 3.02 0.01 0.30 4.31 7.94 -1.26 -4.83 117.00 126.48 2qma n LEU 490 Ca 0.14 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.20 2qma n LEU 490 Cb 0.33 -0.22 0.93 0.00 0.53 0.00 0.00 43.42 44.99 2qma n LEU 490 CO 0.63 -0.00 1.10 1.23 -1.11 0.00 0.00 177.39 179.24 2qma h GLY 491 N 0.00 0.00 -0.01 -3.96 0.00 -1.52 -2.93 103.07 94.65 2qma h GLY 491 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qma h GLY 491 CO 0.00 0.00 -0.00 -1.14 0.00 0.00 0.00 176.54 175.40 2qma n SER 492 N -3.60 2.11 -0.06 0.19 3.41 -1.24 -2.21 113.62 112.23 2qma n SER 492 Ca -0.03 -2.47 -0.10 0.00 -0.26 0.00 0.00 58.87 56.01 2qma n SER 492 Cb 0.12 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 2qma n SER 492 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qma h ALA 493 N 0.00 0.28 -0.66 7.33 0.00 -1.89 -1.34 119.26 122.97 2qma h ALA 493 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2qma h ALA 493 Cb 0.74 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2qma h ALA 493 CO 0.00 -0.15 0.20 1.49 0.00 0.00 0.00 179.25 180.79 2qma h GLU 494 N 0.22 1.03 -0.40 0.00 4.57 -1.84 -1.71 114.58 116.45 2qma h GLU 494 Ca 0.07 -0.23 0.08 0.00 -1.18 0.00 0.00 59.36 58.11 2qma h GLU 494 Cb 0.13 -0.15 -0.09 0.00 -0.16 0.00 0.00 28.75 28.48 2qma h GLU 494 CO -0.01 0.90 -0.23 0.35 -1.18 0.00 0.00 179.01 178.84 2qma h PHE 495 N 0.96 -0.61 -0.61 0.92 3.57 -1.84 -0.08 116.94 119.25 2qma h PHE 495 Ca 0.21 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 2qma h PHE 495 Cb 0.31 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 2qma h PHE 495 CO 0.02 -0.31 0.20 0.00 -2.23 0.00 0.00 178.31 175.99 2qma h ALA 496 N 1.04 0.80 -0.01 2.41 0.00 -0.80 -2.98 119.26 119.71 2qma h ALA 496 Ca 0.19 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qma h ALA 496 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2qma h ALA 496 CO -0.49 0.46 -0.10 1.03 0.00 0.00 0.00 179.25 180.14 2qma h SER 497 N 0.87 -0.29 0.00 0.00 0.87 -0.97 0.29 113.55 114.31 2qma h SER 497 Ca 0.20 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2qma h SER 497 Cb 0.27 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2qma h SER 497 CO -0.01 -0.14 0.00 0.52 -0.53 0.00 0.00 176.83 176.67 2qma n VAL 498 N -5.23 0.00 0.00 2.23 0.31 -0.07 -0.97 118.33 114.60 2qma n VAL 498 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2qma n VAL 498 Cb 0.15 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 2qma n VAL 498 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2qma n SER 500 N 0.37 0.00 -0.10 4.52 7.64 0.09 -1.15 113.62 124.98 2qma n SER 500 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2qma n SER 500 Cb 0.02 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 2qma n SER 500 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2qma h HIS 501 N 0.00 0.47 -0.62 1.43 6.17 -1.29 -2.30 115.15 119.01 2qma h HIS 501 Ca 0.00 -0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.05 2qma h HIS 501 Cb 0.00 -0.14 -0.03 0.00 2.52 0.00 0.00 27.41 29.76 2qma h HIS 501 CO 0.00 0.44 0.38 1.15 0.71 0.00 0.00 177.93 180.60 2qma h THR 502 N 0.37 1.18 -0.45 6.26 2.02 -1.41 -1.51 112.91 119.36 2qma h THR 502 Ca 0.11 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.92 2qma h THR 502 Cb 0.16 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 2qma h THR 502 CO -0.01 0.19 0.22 0.74 0.37 0.00 0.00 175.52 177.02 2qma h THR 503 N 0.84 0.95 -0.61 3.16 2.02 -1.79 -2.80 112.91 114.67 2qma h THR 503 Ca 0.22 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 2qma h THR 503 Cb -0.02 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2qma h THR 503 CO -0.04 0.08 0.07 -1.28 0.37 0.00 0.00 175.52 174.72 2qma h SER 504 N 0.43 1.00 0.00 4.18 0.87 -1.19 0.31 113.55 119.15 2qma h SER 504 Ca 0.20 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2qma h SER 504 Cb 0.12 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2qma h SER 504 CO -0.15 1.02 0.00 0.00 -0.53 0.00 0.00 176.83 177.17 2qma n ALA 505 N -2.46 1.01 0.00 6.23 0.00 -0.59 -1.33 120.51 123.38 2qma n ALA 505 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2qma n ALA 505 Cb 0.30 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2qma n ALA 505 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qma n LYS 507 N 0.42 0.00 -0.21 0.00 4.81 0.10 -1.92 118.16 121.36 2qma n LYS 507 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2qma n LYS 507 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 2qma n LYS 507 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2qma h SER 508 N 0.00 0.75 0.06 3.14 0.87 -1.47 -1.08 113.55 115.82 2qma h SER 508 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2qma h SER 508 Cb 0.00 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2qma h SER 508 CO 0.00 0.62 -0.05 0.58 -0.53 0.00 0.00 176.83 177.45 2qma h VAL 509 N 0.82 0.89 -0.52 2.23 2.07 -1.65 -2.61 116.25 117.47 2qma h VAL 509 Ca 0.21 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 2qma h VAL 509 Cb 0.03 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2qma h VAL 509 CO -0.04 0.00 0.21 -0.26 0.02 0.00 0.00 177.57 177.50 2qma h PHE 510 N -0.12 0.80 -0.23 1.57 0.04 -1.80 -2.09 116.94 115.11 2qma h PHE 510 Ca -0.00 -0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.74 2qma h PHE 510 Cb 0.11 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 2qma h PHE 510 CO -0.09 0.66 0.16 0.93 -0.60 0.00 0.00 178.31 179.37 2qma h GLU 511 N 0.70 0.17 -0.02 1.51 5.08 -1.13 -1.99 114.58 118.91 2qma h GLU 511 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2qma h GLU 511 Cb 0.20 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2qma h GLU 511 CO -0.01 0.11 -0.17 0.00 -1.00 0.00 0.00 179.01 177.94 2qma n GLN 512 N -4.50 1.71 -2.33 2.33 -0.00 -0.84 -4.90 117.38 108.85 2qma n GLN 512 Ca 0.02 -1.32 -0.42 0.00 -0.00 0.00 0.00 57.00 55.28 2qma n GLN 512 Cb 0.18 -1.47 -0.03 0.00 -0.00 0.00 0.00 30.24 28.92 2qma n GLN 512 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2qma s VAL 513 N -2.20 3.73 -0.01 -0.39 1.01 -0.75 -4.91 120.40 116.87 2qma s VAL 513 Ca 0.26 1.26 0.02 0.00 0.00 0.00 0.00 61.98 63.52 2qma s VAL 513 Cb 0.20 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.80 2qma s VAL 513 CO 0.41 0.11 0.83 -0.46 0.00 0.00 0.00 175.10 175.99 2qma n ASN 514 N 3.81 1.12 -3.53 3.32 6.94 -1.26 -5.04 115.26 120.61 2qma n ASN 514 Ca 0.09 -1.75 -0.09 0.00 -0.02 0.00 0.00 54.58 52.81 2qma n ASN 514 Cb 0.45 -0.07 -0.02 0.00 -2.36 0.00 0.00 39.78 37.78 2qma n ASN 514 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qma s ALA 515 N -0.75 -1.69 0.46 -2.53 0.00 -1.26 -5.05 121.76 110.94 2qma s ALA 515 Ca 0.04 0.64 0.23 0.00 0.00 0.00 0.00 51.96 52.87 2qma s ALA 515 Cb 0.03 0.63 1.36 0.00 0.00 0.00 0.00 23.12 25.14 2qma s ALA 515 CO 0.00 -0.78 2.08 -1.00 0.00 0.00 0.00 175.76 176.06 2qma h PRO 516 N 2.00 0.00 -3.61 0.00 0.13 -1.85 -3.44 132.00 125.24 2qma h PRO 516 Ca -0.26 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.70 2qma h PRO 516 Cb 1.26 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.16 2qma h PRO 516 CO 0.32 0.12 -0.58 -0.47 -0.23 0.00 0.00 178.00 177.16 2qma s TYR 517 N -4.44 0.03 0.50 1.56 5.04 -1.25 -1.13 117.35 117.67 2qma s TYR 517 Ca -0.04 -0.07 0.33 0.00 -2.44 0.00 0.00 57.07 54.86 2qma s TYR 517 Cb 0.14 -0.05 1.81 0.00 0.35 0.00 0.00 41.96 44.22 2qma s TYR 517 CO 0.62 -0.18 2.20 0.66 -1.34 0.00 0.00 175.55 177.51 2qma h SER 518 N 5.00 0.00 -2.72 4.32 4.64 -1.79 -3.38 113.55 119.63 2qma h SER 518 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2qma h SER 518 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2qma h SER 518 CO 0.42 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 2qma n GLY 519 N -0.89 -2.62 3.58 -0.77 0.00 -1.26 -4.86 105.19 98.37 2qma n GLY 519 Ca -0.02 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2qma n GLY 519 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qma s ASP 521 N 0.00 6.12 0.35 1.61 2.15 -1.26 -4.76 116.67 120.88 2qma s ASP 521 Ca 0.00 0.00 0.06 0.00 0.43 0.00 0.00 52.55 53.04 2qma s ASP 521 Cb 0.00 -2.16 0.74 0.00 -0.30 0.00 0.00 42.92 41.20 2qma s ASP 521 CO 0.00 -0.15 1.93 -0.65 -0.17 0.00 0.00 175.17 176.12 2qma h PRO 522 N 8.34 0.74 -0.65 4.34 0.11 -1.99 0.63 132.00 143.53 2qma h PRO 522 Ca -0.33 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 2qma h PRO 522 Cb 1.17 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 2qma h PRO 522 CO 0.61 0.49 0.37 -0.22 -0.21 0.00 0.00 178.00 179.04 2qma h LYS 523 N 0.77 0.89 -0.52 1.05 3.64 -2.02 0.12 116.57 120.51 2qma h LYS 523 Ca 0.36 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 2qma h LYS 523 Cb 0.39 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2qma h LYS 523 CO -0.14 0.66 0.14 0.00 -2.27 0.00 0.00 179.45 177.84 2qma h ALA 524 N 1.18 0.68 -0.07 5.00 0.00 -1.70 -0.08 119.26 124.27 2qma h ALA 524 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qma h ALA 524 Cb 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qma h ALA 524 CO -0.04 0.36 0.05 1.25 0.00 0.00 0.00 179.25 180.87 2qma h LEU 525 N 0.71 0.08 -0.46 0.00 5.85 -0.72 -1.32 115.31 119.45 2qma h LEU 525 Ca 0.16 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2qma h LEU 525 Cb 0.32 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 2qma h LEU 525 CO -0.00 0.06 0.19 -0.08 -0.34 0.00 0.00 178.44 178.27 2qma h GLU 526 N 0.10 0.37 -0.56 1.25 4.81 -0.67 -1.51 114.58 118.37 2qma h GLU 526 Ca 0.03 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2qma h GLU 526 Cb -0.01 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2qma h GLU 526 CO -0.01 0.25 0.37 -0.44 -0.73 0.00 0.00 179.01 178.45 2qma h ASP 527 N 0.39 0.63 -0.54 1.04 3.32 -0.85 0.64 116.42 121.05 2qma h ASP 527 Ca 0.21 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 2qma h ASP 527 Cb 0.17 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2qma h ASP 527 CO -0.19 0.45 -0.13 0.00 -1.72 0.00 0.00 179.24 177.66 2qma h ALA 528 N 1.21 0.75 -0.38 3.45 0.00 -0.91 -1.32 119.26 122.06 2qma h ALA 528 Ca 0.21 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2qma h ALA 528 Cb -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2qma h ALA 528 CO -0.05 0.68 0.00 0.82 0.00 0.00 0.00 179.25 180.70 2qma h ILE 529 N 0.92 1.26 -0.03 0.00 2.04 -1.08 -2.97 117.51 117.64 2qma h ILE 529 Ca 0.14 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2qma h ILE 529 Cb 0.70 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2qma h ILE 529 CO 0.05 0.33 0.02 0.78 0.00 0.00 0.00 178.15 179.34 2qma h ASN 530 N 0.49 0.01 1.27 1.72 2.35 -0.65 -2.56 115.58 118.21 2qma h ASN 530 Ca 0.11 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2qma h ASN 530 Cb 0.46 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2qma h ASN 530 CO 0.02 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 2qma n ALA 531 N -2.54 2.20 -1.76 -0.83 0.00 -0.52 -4.89 120.51 112.18 2qma n ALA 531 Ca -0.02 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 2qma n ALA 531 Cb 0.11 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 2qma n ALA 531 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qma s VAL 532 N -3.10 2.08 -0.45 0.00 1.01 -0.97 -4.94 120.40 114.03 2qma s VAL 532 Ca 0.10 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 2qma s VAL 532 Cb 0.13 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.50 2qma s VAL 532 CO 0.55 0.01 1.01 -0.62 0.00 0.00 0.00 175.10 176.05 2qma s ASP 533 N 0.87 6.59 -0.02 3.32 2.15 -1.26 -4.91 116.67 123.41 2qma s ASP 533 Ca 0.69 0.35 0.22 0.00 0.43 0.00 0.00 52.55 54.24 2qma s ASP 533 Cb -0.49 -2.49 0.66 0.00 -0.30 0.00 0.00 42.92 40.30 2qma s ASP 533 CO 0.39 -1.09 1.55 0.18 -0.17 0.00 0.00 175.17 176.04 2qma n LEU 534 N 7.34 4.10 0.00 -1.34 4.77 -1.26 -4.24 117.00 126.36 2qma n LEU 534 Ca 0.09 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 2qma n LEU 534 Cb 0.49 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2qma n LEU 534 CO 0.66 0.96 -0.47 0.47 -1.33 0.00 0.00 177.39 177.68 2qma n ASP 535 N 1.55 1.47 -0.16 -1.43 8.00 -1.26 -4.90 116.55 119.82 2qma n ASP 535 Ca 0.25 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.82 2qma n ASP 535 Cb 0.67 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.87 2qma n ASP 535 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qma n ASN 536 N -2.76 1.76 -0.07 -2.24 3.02 -1.26 -4.68 115.26 109.03 2qma n ASN 536 Ca 0.00 -2.76 -0.09 0.00 -0.03 0.00 0.00 54.58 51.70 2qma n ASN 536 Cb 0.47 -0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 2qma n ASN 536 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2qma h LYS 537 N 0.00 0.00 -6.99 3.52 3.64 -1.91 -3.48 116.57 111.35 2qma h LYS 537 Ca 0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 2qma h LYS 537 Cb 1.07 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.81 2qma h LYS 537 CO 0.00 0.57 -1.00 0.09 -2.27 0.00 0.00 179.45 176.84 2qma n ASN 538 N -4.66 -2.42 -4.94 4.20 3.02 -1.26 -4.93 115.26 104.26 2qma n ASN 538 Ca -0.08 -1.30 -0.26 0.00 -0.03 0.00 0.00 54.58 52.91 2qma n ASN 538 Cb 0.31 -1.64 -0.03 0.00 -0.61 0.00 0.00 39.78 37.80 2qma n ASN 538 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qma s ALA 539 N -3.81 3.92 0.44 5.41 0.00 -1.26 -5.07 121.76 121.38 2qma s ALA 539 Ca 0.33 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 2qma s ALA 539 Cb -0.18 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.99 2qma s ALA 539 CO 0.98 0.48 1.25 -2.30 0.00 0.00 0.00 175.76 176.17 2qma n PRO 540 N -0.66 1.85 -0.25 0.00 -0.02 -1.26 -4.78 135.00 129.87 2qma n PRO 540 Ca -0.06 0.66 -0.03 0.00 -2.02 0.00 0.00 63.50 62.04 2qma n PRO 540 Cb 0.54 -2.37 0.08 0.00 -0.02 0.00 0.00 33.50 31.73 2qma n PRO 540 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qma h LEU 541 N 1.95 0.74 -1.19 2.45 5.85 -1.99 -0.82 115.31 122.30 2qma h LEU 541 Ca -0.48 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.35 2qma h LEU 541 Cb 1.30 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 2qma h LEU 541 CO 0.59 0.51 0.59 0.11 -0.34 0.00 0.00 178.44 179.90 2qma h LYS 542 N 0.87 0.82 -0.08 1.25 1.57 -1.96 0.52 116.57 119.57 2qma h LYS 542 Ca 0.28 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.85 2qma h LYS 542 Cb 0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2qma h LYS 542 CO -0.10 0.54 -0.65 0.66 -0.57 0.00 0.00 179.45 179.33 2qma h SER 543 N 0.84 0.35 -0.50 0.86 4.64 -1.53 -2.31 113.55 115.91 2qma h SER 543 Ca 0.44 -0.21 -0.08 0.00 -0.47 0.00 0.00 61.79 61.46 2qma h SER 543 Cb 0.52 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 2qma h SER 543 CO -0.20 0.91 0.00 0.58 -0.87 0.00 0.00 176.83 177.25 2qma h VAL 544 N 0.22 1.26 -0.69 0.95 2.07 -0.71 -1.73 116.25 117.61 2qma h VAL 544 Ca -0.01 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2qma h VAL 544 Cb 1.18 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2qma h VAL 544 CO 0.10 0.39 0.43 0.40 0.02 0.00 0.00 177.57 178.92 2qma h ILE 545 N 0.86 1.19 -0.59 4.57 2.04 -0.80 -0.45 117.51 124.33 2qma h ILE 545 Ca 0.16 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2qma h ILE 545 Cb 0.50 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2qma h ILE 545 CO 0.02 0.19 0.28 0.44 0.00 0.00 0.00 178.15 179.09 2qma h ASP 546 N 0.94 0.77 -0.41 1.72 3.32 -1.10 0.11 116.42 121.77 2qma h ASP 546 Ca 0.25 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2qma h ASP 546 Cb -0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2qma h ASP 546 CO -0.05 0.68 0.12 0.44 -1.72 0.00 0.00 179.24 178.71 2qma h ASP 547 N 0.80 0.60 -0.42 6.45 3.32 -1.14 -0.29 116.42 125.74 2qma h ASP 547 Ca 0.20 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2qma h ASP 547 Cb 0.11 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2qma h ASP 547 CO -0.03 0.65 -0.06 -0.37 -1.72 0.00 0.00 179.24 177.71 2qma h VAL 548 N 0.52 1.26 -0.41 -1.35 -1.51 -0.91 -0.34 116.25 113.50 2qma h VAL 548 Ca 0.13 -1.13 0.04 0.00 -1.23 0.00 0.00 66.70 64.51 2qma h VAL 548 Cb 0.27 0.95 -0.04 0.00 -2.13 0.00 0.00 31.29 30.34 2qma h VAL 548 CO -0.00 0.40 0.18 0.00 -1.23 0.00 0.00 177.57 176.91 2qma h ALA 549 N 1.15 0.50 -0.17 5.19 0.00 -0.45 0.11 119.26 125.59 2qma h ALA 549 Ca 0.14 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 2qma h ALA 549 Cb 0.56 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2qma h ALA 549 CO 0.03 -0.20 -0.56 1.49 0.00 0.00 0.00 179.25 180.01 2qma h GLU 550 N 0.36 0.69 0.00 0.00 4.57 -0.73 -1.53 114.58 117.94 2qma h GLU 550 Ca 0.18 -0.51 -0.43 0.00 -1.18 0.00 0.00 59.36 57.43 2qma h GLU 550 Cb 0.13 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.74 2qma h GLU 550 CO -0.16 1.13 -2.43 -0.11 -1.18 0.00 0.00 179.01 176.26 2qma n LEU 551 N -4.12 2.20 -0.01 1.64 7.94 -0.17 -4.30 117.00 120.19 2qma n LEU 551 Ca -0.07 0.23 -0.00 0.00 -1.11 0.00 0.00 56.01 55.06 2qma n LEU 551 Cb 0.63 -0.86 -0.00 0.00 0.53 0.00 0.00 43.42 43.72 2qma n LEU 551 CO 0.49 0.65 0.02 0.58 -1.11 0.00 0.00 177.39 178.01 2qma h VAL 552 N -0.74 0.00 -0.35 1.96 2.07 -1.03 -3.35 116.25 114.81 2qma h VAL 552 Ca -0.65 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 66.43 2qma h VAL 552 Cb 1.67 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2qma h VAL 552 CO -0.32 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.39 2qma h ALA 553 N -1.50 0.41 -0.09 1.67 0.00 -0.97 -2.47 119.26 116.30 2qma h ALA 553 Ca -0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2qma h ALA 553 Cb 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qma h ALA 553 CO 0.00 -0.27 0.08 0.87 0.00 0.00 0.00 179.25 179.94 2qma h LYS 554 N 0.27 0.00 -0.29 0.00 1.57 -1.46 -2.32 116.57 114.34 2qma h LYS 554 Ca 0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2qma h LYS 554 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2qma h LYS 554 CO -0.16 0.00 -0.01 0.09 -0.57 0.00 0.00 179.45 178.80 2qma n ASN 555 N -4.10 3.37 -4.35 0.86 3.02 -0.95 -4.51 115.26 108.60 2qma n ASN 555 Ca -0.01 -3.27 -0.27 0.00 -0.03 0.00 0.00 54.58 51.00 2qma n ASN 555 Cb 0.19 -0.57 0.16 0.00 -0.61 0.00 0.00 39.78 38.94 2qma n ASN 555 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qma s ALA 556 N -2.97 2.89 -0.34 5.41 0.00 -0.87 -4.79 121.76 121.09 2qma s ALA 556 Ca 0.43 -1.47 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 2qma s ALA 556 Cb 0.36 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 2qma s ALA 556 CO 0.06 -2.03 0.49 0.42 0.00 0.00 0.00 175.76 174.70 2qma s ILE 557 N -3.57 5.04 -0.73 0.00 -1.09 -1.26 -4.51 121.20 115.09 2qma s ILE 557 Ca 0.71 0.35 -0.20 0.00 -2.23 0.00 0.00 60.65 59.28 2qma s ILE 557 Cb -0.04 -3.93 0.10 0.00 -1.58 0.00 0.00 42.46 37.01 2qma s ILE 557 CO 0.49 -0.17 0.94 -0.36 -1.23 0.00 0.00 174.94 174.61 2qma s PHE 558 N 2.34 2.92 0.52 3.97 0.08 -0.28 -4.86 117.98 122.66 2qma s PHE 558 Ca 0.18 -0.94 0.20 0.00 0.12 0.00 0.00 56.93 56.48 2qma s PHE 558 Cb -0.16 -4.21 1.38 0.00 -0.57 0.00 0.00 43.02 39.46 2qma s PHE 558 CO 0.13 -1.49 2.15 1.79 -0.10 0.00 0.00 175.22 177.69 2qma h THR 559 N 5.88 0.88 0.00 0.64 1.35 -1.91 -1.46 112.91 118.30 2qma h THR 559 Ca -0.15 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2qma h THR 559 Cb 1.06 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2qma h THR 559 CO 1.13 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 176.43 2qma n GLN 560 N -4.28 0.08 -2.95 4.72 3.00 -1.26 -4.61 117.38 112.07 2qma n GLN 560 Ca -0.03 0.30 -0.40 0.00 -0.01 0.00 0.00 57.00 56.87 2qma n GLN 560 Cb 0.12 -1.65 -0.05 0.00 0.00 0.00 0.00 30.24 28.66 2qma n GLN 560 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2qma s HIS 561 N -3.12 3.80 0.61 1.08 2.46 -0.55 -4.97 115.29 114.60 2qma s HIS 561 Ca 0.06 1.57 0.33 0.00 0.47 0.00 0.00 55.06 57.49 2qma s HIS 561 Cb 0.10 -2.83 1.96 0.00 -0.13 0.00 0.00 32.58 31.68 2qma s HIS 561 CO 0.33 0.35 2.28 -1.35 -2.47 0.00 0.00 174.74 173.88 2qma h PRO 562 N 5.19 0.00 -0.22 2.88 0.11 -1.88 -1.67 132.00 136.41 2qma h PRO 562 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qma h PRO 562 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qma h PRO 562 CO 0.69 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.23 2qma n ASP 563 N -3.68 2.09 -4.42 -2.05 8.00 -1.26 -4.54 116.55 110.70 2qma n ASP 563 Ca -0.03 -1.79 -0.44 0.00 0.71 0.00 0.00 54.79 53.24 2qma n ASP 563 Cb 0.08 -0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 2qma n ASP 563 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qma n ILE 565 N 5.71 0.18 -0.11 0.00 3.06 -0.45 -4.89 119.36 122.87 2qma n ILE 565 Ca -0.07 -0.94 -0.22 0.00 -2.50 0.00 0.00 62.75 59.02 2qma n ILE 565 Cb 0.44 0.88 -0.11 0.00 0.54 0.00 0.00 39.64 41.39 2qma n ILE 565 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2qma n ALA 566 N -0.08 0.81 -2.46 1.51 0.00 -0.91 -0.18 120.51 119.19 2qma n ALA 566 Ca -0.08 -0.54 -0.23 0.00 0.00 0.00 0.00 53.44 52.58 2qma n ALA 566 Cb 0.91 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 2qma n ALA 566 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2qma s HIS 567 N -2.37 1.79 -1.21 0.00 3.76 -1.26 -3.75 115.29 112.24 2qma s HIS 567 Ca -0.29 -1.21 -0.17 0.00 -0.15 0.00 0.00 55.06 53.24 2qma s HIS 567 Cb 0.07 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.60 2qma s HIS 567 CO 0.56 -0.26 2.11 1.28 -0.85 0.00 0.00 174.74 177.59 2qma n LEU 568 N -0.78 5.82 -3.70 0.89 4.77 -1.26 -4.77 117.00 117.98 2qma n LEU 568 Ca -0.04 -3.68 -0.28 0.00 -0.03 0.00 0.00 56.01 51.98 2qma n LEU 568 Cb 0.65 -1.47 -0.16 0.00 -2.33 0.00 0.00 43.42 40.12 2qma n LEU 568 CO 0.37 0.55 -0.35 -2.28 -1.33 0.00 0.00 177.39 174.35 2qma s HIS 569 N 3.92 1.01 0.08 -1.77 2.46 -1.26 -4.82 115.29 114.89 2qma s HIS 569 Ca 0.51 -1.00 -0.14 0.00 0.47 0.00 0.00 55.06 54.90 2qma s HIS 569 Cb 0.14 -1.12 -0.06 0.00 -0.13 0.00 0.00 32.58 31.40 2qma s HIS 569 CO -0.01 -0.69 0.48 -0.08 -2.47 0.00 0.00 174.74 171.97 2qma s THR 570 N 1.86 4.94 0.21 0.89 -1.32 -1.26 -4.97 115.64 115.99 2qma s THR 570 Ca 0.03 0.82 -0.30 0.00 -1.21 0.00 0.00 61.69 61.03 2qma s THR 570 Cb -0.17 -3.74 -0.09 0.00 -1.51 0.00 0.00 72.50 67.00 2qma s THR 570 CO -0.15 0.41 1.25 -2.16 -2.21 0.00 0.00 174.62 171.76 2qma s PRO 571 N -1.54 4.44 0.28 7.08 0.04 -1.26 -4.94 135.00 139.10 2qma s PRO 571 Ca 0.31 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 2qma s PRO 571 Cb -0.16 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 2qma s PRO 571 CO 0.17 -0.15 1.07 -1.25 0.04 0.00 0.00 177.00 176.88 2qma s PRO 572 N -0.39 4.67 0.00 0.56 0.04 -1.26 -4.77 135.00 133.85 2qma s PRO 572 Ca 0.54 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2qma s PRO 572 Cb -0.35 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2qma s PRO 572 CO 0.39 0.26 0.00 1.28 0.04 0.00 0.00 177.00 178.97 2qma n LEU 573 N 1.20 0.00 0.00 -3.56 4.77 0.32 -4.93 117.00 114.79 2qma n LEU 573 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2qma n LEU 573 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2qma n LEU 573 CO 0.53 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.78 2qma n PRO 575 N 0.00 0.00 -0.07 3.23 -0.04 -1.26 -1.83 135.00 135.04 2qma n PRO 575 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2qma n PRO 575 Cb 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.48 2qma n PRO 575 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qma h ALA 576 N 0.00 0.64 -0.31 0.55 0.00 -1.91 0.11 119.26 118.34 2qma h ALA 576 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 2qma h ALA 576 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2qma h ALA 576 CO 0.00 0.67 -0.43 0.28 0.00 0.00 0.00 179.25 179.77 2qma h VAL 577 N 0.63 1.29 -0.42 0.00 2.07 -1.72 -1.40 116.25 116.69 2qma h VAL 577 Ca 0.04 -1.62 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 2qma h VAL 577 Cb 1.02 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 2qma h VAL 577 CO 0.10 0.53 0.08 0.00 0.02 0.00 0.00 177.57 178.29 2qma h ALA 578 N 0.88 0.56 -0.83 1.67 0.00 -1.82 -3.06 119.26 116.65 2qma h ALA 578 Ca 0.04 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2qma h ALA 578 Cb 1.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2qma h ALA 578 CO 0.10 0.26 0.50 0.00 0.00 0.00 0.00 179.25 180.11 2qma h ALA 579 N 0.94 1.15 -0.73 0.00 0.00 -0.55 -1.72 119.26 118.35 2qma h ALA 579 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2qma h ALA 579 Cb 0.35 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2qma h ALA 579 CO 0.01 0.22 0.48 0.93 0.00 0.00 0.00 179.25 180.88 2qma h GLU 580 N 0.90 0.60 -0.09 0.00 4.39 -1.16 0.19 114.58 119.41 2qma h GLU 580 Ca 0.37 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.03 2qma h GLU 580 Cb 0.21 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2qma h GLU 580 CO -0.19 0.39 0.00 0.00 -1.16 0.00 0.00 179.01 178.06 2qma n ALA 581 N -2.47 1.33 0.00 3.43 0.00 -0.65 -1.16 120.51 120.99 2qma n ALA 581 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2qma n ALA 581 Cb 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2qma n ALA 581 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qma n ILE 583 N 0.15 0.00 -0.11 0.00 5.41 0.66 -2.21 119.36 123.25 2qma n ILE 583 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 2qma n ILE 583 Cb 0.02 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.94 2qma n ILE 583 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qma h ALA 584 N 0.00 0.46 -0.34 -1.39 0.00 -1.39 0.27 119.26 116.88 2qma h ALA 584 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2qma h ALA 584 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2qma h ALA 584 CO 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 179.25 178.83 2qma h ALA 585 N 1.07 0.66 -0.01 0.00 0.00 -1.69 -3.09 119.26 116.20 2qma h ALA 585 Ca 0.13 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 2qma h ALA 585 Cb 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qma h ALA 585 CO -0.02 0.67 -0.91 -0.07 0.00 0.00 0.00 179.25 178.92 2qma h LEU 586 N 0.67 0.49 -1.90 0.00 3.38 -1.81 -3.48 115.31 112.66 2qma h LEU 586 Ca 0.05 -0.39 -0.54 0.00 0.09 0.00 0.00 57.88 57.10 2qma h LEU 586 Cb 0.96 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.45 2qma h LEU 586 CO 0.09 1.18 -0.91 -3.20 0.09 0.00 0.00 178.44 175.69 2qma n ASN 587 N -3.74 -0.17 -4.79 -0.43 5.15 0.96 -4.94 115.26 107.30 2qma n ASN 587 Ca -0.06 -1.08 -0.35 0.00 -0.60 0.00 0.00 54.58 52.49 2qma n ASN 587 Cb 0.82 -2.62 -0.02 0.00 -0.53 0.00 0.00 39.78 37.42 2qma n ASN 587 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2qma s GLN 588 N -6.81 3.70 0.00 1.20 -1.52 -1.26 -5.07 119.66 109.90 2qma s GLN 588 Ca 0.06 1.46 0.00 0.00 -1.95 0.00 0.00 55.36 54.93 2qma s GLN 588 Cb -0.03 -2.12 0.00 0.00 -0.22 0.00 0.00 33.01 30.64 2qma s GLN 588 CO 0.92 -0.53 0.00 0.45 -0.25 0.00 0.00 175.29 175.88 2qma n SER 589 N -0.97 1.69 0.00 5.90 2.88 -0.47 -4.29 113.62 118.36 2qma n SER 589 Ca 0.10 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 2qma n SER 589 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2qma n SER 589 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2qma n ASP 591 N -0.59 0.00 -3.66 -3.46 5.75 -1.26 -4.07 116.55 109.26 2qma n ASP 591 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 2qma n ASP 591 Cb 0.00 -1.10 -0.06 0.00 -1.03 0.00 0.00 41.12 38.92 2qma n ASP 591 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2qma s SER 592 N -1.60 -0.31 0.23 -1.12 1.04 -1.26 -5.04 113.70 105.65 2qma s SER 592 Ca 0.00 0.06 -0.06 0.00 0.48 0.00 0.00 55.95 56.43 2qma s SER 592 Cb 0.00 0.42 0.39 0.00 0.10 0.00 0.00 66.02 66.94 2qma s SER 592 CO 0.00 -0.64 1.72 -0.25 0.98 0.00 0.00 173.24 175.05 2qma h TRP 593 N 3.09 0.39 0.00 5.02 7.01 -1.89 -1.48 115.95 128.08 2qma h TRP 593 Ca -0.31 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.73 2qma h TRP 593 Cb 1.20 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 28.19 2qma h TRP 593 CO 0.42 0.03 0.00 -0.40 -2.79 0.00 0.00 178.44 175.69 2qma n ASP 594 N -5.05 0.00 0.00 2.65 5.75 -1.26 -0.36 116.55 118.28 2qma n ASP 594 Ca 0.12 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 2qma n ASP 594 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 2qma n ASP 594 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qma n GLN 595 N -0.64 0.39 -2.69 0.11 6.02 -0.60 -4.93 117.38 115.04 2qma n GLN 595 Ca 0.04 -0.78 -0.06 0.00 -0.01 0.00 0.00 57.00 56.20 2qma n GLN 595 Cb 0.02 -0.94 0.09 0.00 1.02 0.00 0.00 30.24 30.43 2qma n GLN 595 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qma n ALA 596 N -0.16 -2.32 0.23 -1.58 0.00 0.51 -1.36 120.51 115.84 2qma n ALA 596 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 53.44 52.53 2qma n ALA 596 Cb 0.12 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.17 2qma n ALA 596 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qma h SER 597 N 2.78 -0.53 0.77 0.00 4.64 -1.59 -1.06 113.55 118.57 2qma h SER 597 Ca -0.22 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 60.98 2qma h SER 597 Cb 1.16 0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2qma h SER 597 CO 0.04 -0.22 -0.66 0.77 -0.87 0.00 0.00 176.83 175.89 2qma h SER 598 N -0.93 0.00 -0.54 4.97 4.64 -1.98 -3.29 113.55 116.42 2qma h SER 598 Ca -0.06 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 2qma h SER 598 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2qma h SER 598 CO 0.10 0.66 -0.07 0.00 -0.87 0.00 0.00 176.83 176.65 2qma h ALA 599 N 1.34 0.82 -0.63 5.18 0.00 -1.95 -1.22 119.26 122.81 2qma h ALA 599 Ca -0.01 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.63 2qma h ALA 599 Cb 1.22 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2qma h ALA 599 CO 0.09 0.67 0.32 1.15 0.00 0.00 0.00 179.25 181.47 2qma h THR 600 N 0.91 0.92 -0.22 0.00 2.02 -1.25 0.70 112.91 115.99 2qma h THR 600 Ca 0.15 -0.20 -0.20 0.00 0.77 0.00 0.00 66.41 66.93 2qma h THR 600 Cb 0.63 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2qma h THR 600 CO 0.04 0.11 -0.65 1.88 0.37 0.00 0.00 175.52 177.27 2qma h TYR 601 N 0.59 1.05 -0.20 3.16 0.05 -1.61 -2.52 116.97 117.49 2qma h TYR 601 Ca 0.29 -0.41 0.04 0.00 0.05 0.00 0.00 58.73 58.70 2qma h TYR 601 Cb 0.23 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.75 2qma h TYR 601 CO -0.10 1.23 -0.07 0.28 -1.05 0.00 0.00 178.16 178.46 2qma h VAL 602 N 0.59 0.76 -0.42 -2.88 2.07 -0.72 -0.73 116.25 114.92 2qma h VAL 602 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 2qma h VAL 602 Cb 1.26 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2qma h VAL 602 CO 0.14 0.00 0.27 -0.08 0.02 0.00 0.00 177.57 177.92 2qma h GLU 603 N -0.03 0.54 -0.63 1.57 4.81 -0.82 -1.64 114.58 118.39 2qma h GLU 603 Ca 0.10 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2qma h GLU 603 Cb 0.18 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2qma h GLU 603 CO -0.22 0.36 0.29 0.37 -0.73 0.00 0.00 179.01 179.08 2qma h GLN 604 N 0.56 0.89 -0.38 1.92 5.75 -1.26 0.59 115.11 123.17 2qma h GLN 604 Ca 0.16 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2qma h GLN 604 Cb -0.06 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 2qma h GLN 604 CO -0.04 0.70 0.16 -0.22 -2.65 0.00 0.00 178.83 176.78 2qma h LYS 605 N 0.89 0.56 -0.12 1.69 1.63 -0.66 0.41 116.57 120.96 2qma h LYS 605 Ca 0.22 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2qma h LYS 605 Cb 0.11 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2qma h LYS 605 CO -0.03 0.52 0.03 0.28 -3.45 0.00 0.00 179.45 176.81 2qma h VAL 606 N 0.47 1.19 0.00 2.00 2.07 -0.94 -0.87 116.25 120.17 2qma h VAL 606 Ca 0.13 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.07 2qma h VAL 606 Cb 0.16 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2qma h VAL 606 CO -0.01 0.17 -0.10 0.58 0.02 0.00 0.00 177.57 178.23 2qma h VAL 607 N 0.00 0.75 -0.54 2.57 2.07 -0.69 0.14 116.25 120.55 2qma h VAL 607 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.67 2qma h VAL 607 Cb 0.24 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 2qma h VAL 607 CO -0.00 0.00 -0.06 0.78 0.02 0.00 0.00 177.57 178.31 2qma h ASN 608 N -0.17 -0.35 -0.58 0.57 2.35 -0.06 -0.77 115.58 116.57 2qma h ASN 608 Ca 0.04 0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2qma h ASN 608 Cb 0.22 0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 2qma h ASN 608 CO -0.10 -0.13 0.34 -0.25 -1.65 0.00 0.00 177.43 175.65 2qma h TRP 609 N 0.06 0.77 -0.49 1.19 7.01 -0.61 -2.11 115.95 121.78 2qma h TRP 609 Ca 0.27 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.29 2qma h TRP 609 Cb 0.43 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 2qma h TRP 609 CO -0.38 0.53 0.29 -0.07 -2.79 0.00 0.00 178.44 176.01 2qma h LEU 610 N 0.78 0.46 -1.20 0.65 3.38 -0.18 -1.55 115.31 117.66 2qma h LEU 610 Ca 0.21 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.21 2qma h LEU 610 Cb -0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2qma h LEU 610 CO -0.04 0.33 0.55 0.00 0.09 0.00 0.00 178.44 179.37 2qma h ASP 612 N 1.05 0.53 -0.47 0.00 3.04 -0.85 -1.36 116.42 118.37 2qma h ASP 612 Ca 0.33 -0.19 -0.02 0.00 -3.24 0.00 0.00 57.03 53.91 2qma h ASP 612 Cb 0.01 -0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 38.14 2qma h ASP 612 CO -0.09 0.58 0.24 0.11 -2.04 0.00 0.00 179.24 178.03 2qma h LYS 613 N 0.46 0.70 -0.20 4.15 1.79 -0.53 -1.36 116.57 121.57 2qma h LYS 613 Ca 0.12 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2qma h LYS 613 Cb 0.22 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2qma h LYS 613 CO -0.01 0.55 0.00 0.66 -1.08 0.00 0.00 179.45 179.57 2qma n TYR 614 N -4.38 0.26 -3.16 -1.35 4.01 -0.81 -4.94 117.16 106.80 2qma n TYR 614 Ca 0.04 -0.13 -0.22 0.00 -0.16 0.00 0.00 57.90 57.43 2qma n TYR 614 Cb 0.13 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.20 2qma n TYR 614 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2qma n ASP 615 N 0.43 -6.14 -4.71 7.72 8.00 -0.51 -4.09 116.55 117.24 2qma n ASP 615 Ca 0.16 -0.35 -0.29 0.00 0.71 0.00 0.00 54.79 55.02 2qma n ASP 615 Cb 0.35 -4.90 0.16 0.00 -0.02 0.00 0.00 41.12 36.70 2qma n ASP 615 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qma s LEU 616 N -6.73 1.81 1.25 0.64 1.43 -0.57 -4.88 118.68 111.64 2qma s LEU 616 Ca 0.37 1.17 -0.18 0.00 -1.03 0.00 0.00 54.13 54.46 2qma s LEU 616 Cb -0.16 -3.43 0.31 0.00 0.03 0.00 0.00 46.19 42.93 2qma s LEU 616 CO 0.46 -2.89 1.02 -0.94 0.23 0.00 0.00 176.35 174.23 2qma s SER 617 N -3.62 0.38 0.56 2.29 1.04 -1.26 -4.90 113.70 108.19 2qma s SER 617 Ca 0.65 1.02 0.34 0.00 0.48 0.00 0.00 55.95 58.44 2qma s SER 617 Cb -0.17 -1.52 1.43 0.00 0.10 0.00 0.00 66.02 65.86 2qma s SER 617 CO 0.56 -4.50 2.01 -0.33 0.98 0.00 0.00 173.24 171.96 2qma h GLU 618 N -2.83 0.00 -0.16 4.02 4.39 -1.96 -2.60 114.58 115.43 2qma h GLU 618 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2qma h GLU 618 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2qma h GLU 618 CO 0.40 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.88 2qma n LYS 619 N -3.08 1.67 -2.19 2.33 5.02 -1.26 -4.97 118.16 115.67 2qma n LYS 619 Ca 0.00 -1.01 -0.34 0.00 -2.02 0.00 0.00 58.31 54.95 2qma n LYS 619 Cb 0.29 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2qma n LYS 619 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qma s ALA 620 N -1.80 2.70 0.36 7.82 0.00 -0.98 -0.51 121.76 129.34 2qma s ALA 620 Ca 0.32 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 2qma s ALA 620 Cb 0.17 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 20.03 2qma s ALA 620 CO 0.25 -0.76 0.69 -3.47 0.00 0.00 0.00 175.76 172.47 2qma n ASP 621 N -1.56 -1.99 -3.78 0.00 -0.08 -0.43 -4.78 116.55 103.92 2qma n ASP 621 Ca 0.10 -2.51 -0.05 0.00 -1.51 0.00 0.00 54.79 50.83 2qma n ASP 621 Cb 0.52 3.36 -0.02 0.00 2.34 0.00 0.00 41.12 47.32 2qma n ASP 621 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2qma s GLY 622 N -2.92 -0.19 -0.06 0.27 0.00 -1.26 -0.52 107.32 102.65 2qma s GLY 622 Ca 0.16 -0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.81 2qma s GLY 622 CO 0.12 -0.02 0.18 -1.50 0.00 0.00 0.00 173.10 171.88 2qma s ILE 623 N -3.52 0.02 0.31 0.90 2.07 -0.67 -4.99 121.20 115.30 2qma s ILE 623 Ca 0.11 -0.14 -0.28 0.00 -1.41 0.00 0.00 60.65 58.93 2qma s ILE 623 Cb -0.03 -0.31 -0.09 0.00 0.13 0.00 0.00 42.46 42.16 2qma s ILE 623 CO 0.03 -0.08 1.03 -0.36 -1.91 0.00 0.00 174.94 173.65 2qma s PHE 624 N -0.22 3.61 0.28 3.50 0.40 -1.26 -0.60 117.98 123.70 2qma s PHE 624 Ca -0.03 1.75 0.02 0.00 -0.60 0.00 0.00 56.93 58.07 2qma s PHE 624 Cb -0.03 -3.12 -0.01 0.00 0.51 0.00 0.00 43.02 40.38 2qma s PHE 624 CO 0.01 -0.22 0.09 0.25 0.70 0.00 0.00 175.22 176.05 2qma n THR 625 N 0.85 0.00 0.46 0.64 -2.24 0.49 -4.89 114.28 109.58 2qma n THR 625 Ca 0.01 -1.59 0.13 0.00 -2.27 0.00 0.00 64.05 60.33 2qma n THR 625 Cb 0.47 0.55 0.42 0.00 -2.10 0.00 0.00 70.33 69.67 2qma n THR 625 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2qma h SER 626 N 1.06 0.00 -0.89 3.42 4.64 -1.95 -3.05 113.55 116.78 2qma h SER 626 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2qma h SER 626 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2qma h SER 626 CO 0.35 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 2qma n GLY 627 N 0.79 -0.64 0.25 -0.77 0.00 -1.26 -4.15 105.19 99.40 2qma n GLY 627 Ca 0.04 -1.40 0.02 0.00 0.00 0.00 0.00 46.02 44.68 2qma n GLY 627 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qma h GLY 628 N 0.00 0.30 0.80 -0.02 0.00 -1.93 0.18 103.07 102.40 2qma h GLY 628 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2qma h GLY 628 CO 0.00 0.16 -0.09 -0.84 0.00 0.00 0.00 176.54 175.77 2qma h THR 629 N 0.27 0.88 -0.30 4.70 2.02 -1.98 0.55 112.91 119.05 2qma h THR 629 Ca 0.06 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 2qma h THR 629 Cb 0.34 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2qma h THR 629 CO 0.02 0.10 -0.19 -0.61 0.37 0.00 0.00 175.52 175.20 2qma h GLN 630 N -0.47 0.54 -0.46 6.66 4.15 -1.81 -1.79 115.11 121.92 2qma h GLN 630 Ca -0.03 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.16 2qma h GLN 630 Cb 0.36 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2qma h GLN 630 CO 0.04 0.71 0.13 0.77 -1.93 0.00 0.00 178.83 178.56 2qma h SER 631 N 0.49 0.69 -0.52 -0.69 0.02 -0.91 -2.98 113.55 109.65 2qma h SER 631 Ca 0.08 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2qma h SER 631 Cb 0.61 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2qma h SER 631 CO 0.04 0.73 0.31 0.78 -1.14 0.00 0.00 176.83 177.55 2qma h ASN 632 N 0.62 0.63 0.00 3.07 2.35 -0.73 -0.57 115.58 120.95 2qma h ASN 632 Ca 0.15 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2qma h ASN 632 Cb 0.29 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2qma h ASN 632 CO -0.00 0.51 0.00 1.67 -1.65 0.00 0.00 177.43 177.96 2qma n GLN 633 N -4.67 0.00 0.00 0.81 -0.06 -0.69 -1.65 117.38 111.12 2qma n GLN 633 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 2qma n GLN 633 Cb 0.06 -0.99 0.00 0.00 -4.06 0.00 0.00 30.24 25.25 2qma n GLN 633 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qma n GLY 635 N 0.15 0.00 1.00 1.69 0.00 -0.22 -4.56 105.19 103.25 2qma n GLY 635 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qma n GLY 635 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qma n LEU 636 N 0.00 1.73 0.00 0.99 4.77 -0.66 -1.42 117.00 122.41 2qma n LEU 636 Ca 0.00 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 2qma n LEU 636 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2qma n LEU 636 CO 0.00 0.29 0.00 0.18 -1.33 0.00 0.00 177.39 176.53 2qma n LEU 638 N 0.71 0.00 -0.34 2.23 4.77 -1.26 -0.91 117.00 122.19 2qma n LEU 638 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2qma n LEU 638 Cb 0.29 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.54 2qma n LEU 638 CO 0.00 0.00 1.23 0.00 -1.33 0.00 0.00 177.39 177.29 2qma h ALA 639 N 0.00 1.30 0.16 -1.18 0.00 -1.63 0.20 119.26 118.12 2qma h ALA 639 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2qma h ALA 639 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2qma h ALA 639 CO 0.00 0.37 -0.08 -0.09 0.00 0.00 0.00 179.25 179.46 2qma h ARG 640 N 1.09 -0.21 -0.52 0.00 2.43 -1.31 -0.54 114.38 115.32 2qma h ARG 640 Ca 0.41 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.49 2qma h ARG 640 Cb 0.17 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2qma h ARG 640 CO -0.17 -0.09 -0.07 -0.44 -1.51 0.00 0.00 179.97 177.69 2qma h ASP 641 N -0.28 0.93 -0.32 -3.80 5.19 -1.75 -2.79 116.42 113.60 2qma h ASP 641 Ca -0.02 -0.28 0.02 0.00 -0.62 0.00 0.00 57.03 56.13 2qma h ASP 641 Cb 0.22 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 2qma h ASP 641 CO 0.04 1.02 0.16 -0.25 -3.12 0.00 0.00 179.24 177.09 2qma h TRP 642 N 0.85 0.30 -0.44 4.55 7.01 -0.41 -1.57 115.95 126.23 2qma h TRP 642 Ca 0.14 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 61.01 2qma h TRP 642 Cb 0.60 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.56 2qma h TRP 642 CO 0.04 0.16 -0.29 0.97 -2.79 0.00 0.00 178.44 176.53 2qma h ILE 643 N 0.33 1.27 -0.67 2.65 6.09 -0.98 -0.81 117.51 125.39 2qma h ILE 643 Ca 0.13 -1.46 -0.02 0.00 -1.37 0.00 0.00 64.86 62.14 2qma h ILE 643 Cb 0.04 1.24 -0.03 0.00 0.47 0.00 0.00 36.82 38.54 2qma h ILE 643 CO -0.09 0.50 0.33 0.00 -3.07 0.00 0.00 178.15 175.82 2qma h ALA 644 N 0.84 0.87 -0.75 0.18 0.00 -1.40 0.13 119.26 119.12 2qma h ALA 644 Ca 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2qma h ALA 644 Cb 0.88 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2qma h ALA 644 CO 0.08 0.42 0.23 0.22 0.00 0.00 0.00 179.25 180.20 2qma h ASP 645 N 0.93 1.10 0.15 0.00 3.58 -1.16 -2.12 116.42 118.91 2qma h ASP 645 Ca 0.23 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2qma h ASP 645 Cb 0.10 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2qma h ASP 645 CO -0.03 1.01 -0.07 0.50 -2.88 0.00 0.00 179.24 177.77 2qma h LYS 646 N 1.12 -0.20 -0.14 0.28 3.64 -0.48 -0.31 116.57 120.48 2qma h LYS 646 Ca 0.24 0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.42 2qma h LYS 646 Cb 0.31 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2qma h LYS 646 CO -0.01 0.07 -0.77 -0.07 -2.27 0.00 0.00 179.45 176.40 2qma h LEU 647 N -0.46 0.92 -2.09 5.20 3.38 -0.78 -3.39 115.31 118.09 2qma h LEU 647 Ca -0.02 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 2qma h LEU 647 Cb 0.36 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 2qma h LEU 647 CO 0.03 1.41 -0.55 -1.54 0.09 0.00 0.00 178.44 177.89 2qma n SER 648 N -3.96 0.15 -4.26 -0.43 3.41 -0.85 -5.01 113.62 102.67 2qma n SER 648 Ca -0.08 -1.93 -0.36 0.00 -0.26 0.00 0.00 58.87 56.25 2qma n SER 648 Cb 0.74 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 2qma n SER 648 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qma n GLY 649 N 0.08 -0.37 3.60 5.00 0.00 -0.13 -4.93 105.19 108.44 2qma n GLY 649 Ca 0.01 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2qma n GLY 649 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qma s HIS 650 N -3.48 3.23 -0.69 1.61 5.04 -0.86 -4.89 115.29 115.26 2qma s HIS 650 Ca 0.58 0.05 -0.26 0.00 -1.54 0.00 0.00 55.06 53.89 2qma s HIS 650 Cb -0.32 -2.26 0.04 0.00 0.04 0.00 0.00 32.58 30.07 2qma s HIS 650 CO 0.95 -0.06 1.16 0.45 -2.34 0.00 0.00 174.74 174.89 2qma s SER 651 N 1.25 6.21 0.24 9.88 0.15 -1.26 -3.18 113.70 126.99 2qma s SER 651 Ca 0.06 -0.53 -0.06 0.00 0.70 0.00 0.00 55.95 56.12 2qma s SER 651 Cb -0.14 -2.51 0.25 0.00 -1.71 0.00 0.00 66.02 61.90 2qma s SER 651 CO 0.05 -1.64 1.91 0.40 1.20 0.00 0.00 173.24 175.16 2qma h ILE 652 N 6.03 1.26 -0.53 6.45 2.04 -1.88 0.88 117.51 131.75 2qma h ILE 652 Ca -0.28 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.18 2qma h ILE 652 Cb 1.06 -0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 36.89 2qma h ILE 652 CO 1.23 0.26 0.03 -0.61 0.00 0.00 0.00 178.15 179.06 2qma h GLN 653 N 1.34 0.15 0.24 2.37 4.15 -1.87 0.10 115.11 121.58 2qma h GLN 653 Ca 0.36 -0.01 -0.33 0.00 0.77 0.00 0.00 58.65 59.44 2qma h GLN 653 Cb -0.12 -0.03 0.04 0.00 0.21 0.00 0.00 27.48 27.58 2qma h GLN 653 CO -0.07 0.10 -1.44 0.87 -1.93 0.00 0.00 178.83 176.36 2qma h LYS 654 N 0.15 0.56 -0.00 1.69 1.57 -1.91 -3.41 116.57 115.21 2qma h LYS 654 Ca 0.27 -0.91 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2qma h LYS 654 Cb 0.41 0.33 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2qma h LYS 654 CO -0.42 1.43 -0.50 1.28 -0.57 0.00 0.00 179.45 180.67 2qma n LEU 655 N -3.74 0.57 0.00 2.94 4.77 0.28 -5.11 117.00 116.71 2qma n LEU 655 Ca -0.16 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2qma n LEU 655 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2qma n LEU 655 CO 0.60 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2qma n GLY 656 N 1.24 -2.19 3.77 -0.72 0.00 0.02 -4.93 105.19 102.37 2qma n GLY 656 Ca 0.02 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 2qma n GLY 656 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qma s LEU 657 N 0.00 4.18 0.83 0.99 1.43 -1.26 -4.21 118.68 120.64 2qma s LEU 657 Ca 0.00 2.80 -0.11 0.00 -1.03 0.00 0.00 54.13 55.79 2qma s LEU 657 Cb 0.00 -3.90 0.09 0.00 0.03 0.00 0.00 46.19 42.41 2qma s LEU 657 CO 0.00 -1.00 1.09 -2.16 0.23 0.00 0.00 176.35 174.51 2qma s PRO 658 N -2.32 1.80 0.56 1.29 0.04 -1.26 -4.91 135.00 130.20 2qma s PRO 658 Ca 0.58 1.01 0.25 0.00 0.04 0.00 0.00 61.00 62.89 2qma s PRO 658 Cb -0.41 -1.86 1.57 0.00 0.04 0.00 0.00 34.50 33.84 2qma s PRO 658 CO 0.53 -1.92 2.15 0.22 0.04 0.00 0.00 177.00 178.03 2qma h ASP 659 N -1.32 0.00 -0.24 6.66 3.58 -2.01 -0.77 116.42 122.32 2qma h ASP 659 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2qma h ASP 659 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2qma h ASP 659 CO 0.53 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.89 2qma n TYR 660 N -4.10 0.33 -0.18 0.28 0.18 -1.26 -4.40 117.16 108.01 2qma n TYR 660 Ca -0.00 -0.16 0.09 0.00 1.88 0.00 0.00 57.90 59.70 2qma n TYR 660 Cb 0.21 -0.00 0.40 0.00 -0.38 0.00 0.00 39.34 39.57 2qma n TYR 660 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2qma h ALA 661 N 3.43 1.81 0.00 -3.48 0.00 -1.48 -1.39 119.26 118.15 2qma h ALA 661 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qma h ALA 661 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qma h ALA 661 CO 0.00 0.04 0.00 0.38 0.00 0.00 0.00 179.25 179.67 2qma h ASP 662 N 0.65 0.00 0.29 0.00 2.03 -1.83 -1.39 116.42 116.17 2qma h ASP 662 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 2qma h ASP 662 Cb 0.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 2qma h ASP 662 CO -0.12 0.00 -1.11 0.29 -1.03 0.00 0.00 179.24 177.28 2qma n LYS 663 N -2.34 0.25 -2.07 4.15 5.02 -0.53 -4.95 118.16 117.70 2qma n LYS 663 Ca -0.01 -0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.86 2qma n LYS 663 Cb 0.05 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.49 2qma n LYS 663 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qma s LEU 664 N -3.75 4.22 -0.03 -0.35 1.43 -0.53 0.08 118.68 119.77 2qma s LEU 664 Ca 0.04 2.63 -0.01 0.00 -1.03 0.00 0.00 54.13 55.75 2qma s LEU 664 Cb 0.15 -3.90 0.02 0.00 0.03 0.00 0.00 46.19 42.49 2qma s LEU 664 CO 0.82 -0.82 0.06 -0.13 0.23 0.00 0.00 176.35 176.51 2qma s ARG 665 N -2.22 0.04 -0.17 1.70 1.81 -0.21 -4.66 118.95 115.24 2qma s ARG 665 Ca 0.56 0.15 -0.07 0.00 -1.72 0.00 0.00 55.73 54.66 2qma s ARG 665 Cb -0.38 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.01 2qma s ARG 665 CO 0.48 -0.07 0.05 0.42 -0.68 0.00 0.00 175.30 175.50 2qma s ILE 666 N 0.46 4.65 -0.14 1.52 1.01 0.31 -0.58 121.20 128.44 2qma s ILE 666 Ca -0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.44 2qma s ILE 666 Cb -0.05 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 2qma s ILE 666 CO -0.02 0.47 0.15 -0.69 0.00 0.00 0.00 174.94 174.86 2qma s VAL 667 N 0.29 5.46 0.32 2.92 1.01 0.61 -4.32 120.40 126.69 2qma s VAL 667 Ca 0.03 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 2qma s VAL 667 Cb -0.13 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2qma s VAL 667 CO 0.01 0.55 0.62 0.00 0.00 0.00 0.00 175.10 176.28 2qma s SER 669 N -3.07 6.69 0.63 0.00 0.15 -1.26 0.24 113.70 117.08 2qma s SER 669 Ca 0.20 1.42 0.26 0.00 0.70 0.00 0.00 55.95 58.54 2qma s SER 669 Cb -0.03 -2.44 1.43 0.00 -1.71 0.00 0.00 66.02 63.27 2qma s SER 669 CO 0.12 -0.42 1.79 0.50 1.20 0.00 0.00 173.24 176.44 2qma h LYS 670 N 1.47 0.00 -0.35 5.44 1.63 -1.57 -2.60 116.57 120.59 2qma h LYS 670 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2qma h LYS 670 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2qma h LYS 670 CO 0.63 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 178.26 2qma n LYS 671 N -2.77 2.94 -1.50 1.90 4.76 -1.26 -5.00 118.16 117.23 2qma n LYS 671 Ca -0.02 -2.33 -0.29 0.00 -2.87 0.00 0.00 58.31 52.80 2qma n LYS 671 Cb 0.41 -1.47 0.11 0.00 -1.84 0.00 0.00 35.03 32.25 2qma n LYS 671 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2qma s SER 672 N -1.24 3.97 0.31 4.39 1.04 -0.98 -4.50 113.70 116.70 2qma s SER 672 Ca 0.31 1.19 -0.27 0.00 0.48 0.00 0.00 55.95 57.65 2qma s SER 672 Cb 0.20 -1.86 -0.09 0.00 0.10 0.00 0.00 66.02 64.37 2qma s SER 672 CO 0.15 -2.29 1.00 -2.28 0.98 0.00 0.00 173.24 170.81 2qma s HIS 673 N -3.18 3.63 -0.50 5.02 2.46 -1.26 -4.89 115.29 116.57 2qma s HIS 673 Ca 0.62 1.76 0.17 0.00 0.47 0.00 0.00 55.06 58.08 2qma s HIS 673 Cb -0.15 -3.06 0.84 0.00 -0.13 0.00 0.00 32.58 30.08 2qma s HIS 673 CO 0.54 -0.10 1.52 1.97 -2.47 0.00 0.00 174.74 176.20 2qma n PHE 674 N 0.74 0.53 0.16 3.88 1.16 -1.26 -0.88 117.46 121.79 2qma n PHE 674 Ca 0.01 0.26 0.02 0.00 -1.87 0.00 0.00 57.45 55.87 2qma n PHE 674 Cb 0.48 -0.91 0.09 0.00 -1.61 0.00 0.00 39.48 37.53 2qma n PHE 674 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2qma n THR 675 N -2.03 1.29 0.02 1.97 -2.24 -1.26 -1.63 114.28 110.40 2qma n THR 675 Ca 0.00 0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.99 2qma n THR 675 Cb 0.08 -1.26 -0.08 0.00 -2.10 0.00 0.00 70.33 66.97 2qma n THR 675 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2qma h VAL 676 N 0.00 1.00 -0.90 2.28 2.07 -1.38 -0.86 116.25 118.45 2qma h VAL 676 Ca 0.00 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2qma h VAL 676 Cb 0.05 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2qma h VAL 676 CO 0.00 0.27 0.58 1.56 0.02 0.00 0.00 177.57 180.00 2qma h GLN 677 N -0.84 1.20 -0.58 1.57 7.50 -1.64 -1.39 115.11 120.92 2qma h GLN 677 Ca -0.02 -0.08 -0.07 0.00 0.50 0.00 0.00 58.65 58.98 2qma h GLN 677 Cb 0.56 -0.26 -0.02 0.00 0.05 0.00 0.00 27.48 27.80 2qma h GLN 677 CO 0.03 0.81 0.09 0.87 -1.50 0.00 0.00 178.83 179.12 2qma h LYS 678 N 1.22 0.97 -0.41 1.46 1.57 -1.40 -1.19 116.57 118.79 2qma h LYS 678 Ca 0.33 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2qma h LYS 678 Cb -0.11 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 2qma h LYS 678 CO -0.07 0.92 0.23 0.77 -0.57 0.00 0.00 179.45 180.74 2qma h SER 679 N 0.87 0.51 -0.51 0.86 0.02 -0.89 -1.19 113.55 113.22 2qma h SER 679 Ca 0.18 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2qma h SER 679 Cb 0.43 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2qma h SER 679 CO 0.01 0.44 0.29 0.00 -1.14 0.00 0.00 176.83 176.43 2qma h ALA 680 N 1.09 0.65 -0.09 3.77 0.00 -1.00 -2.91 119.26 120.76 2qma h ALA 680 Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2qma h ALA 680 Cb 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2qma h ALA 680 CO -0.02 0.16 -0.16 0.77 0.00 0.00 0.00 179.25 180.00 2qma h SER 681 N 0.68 -0.49 0.00 0.00 0.02 -1.02 -0.23 113.55 112.52 2qma h SER 681 Ca 0.18 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2qma h SER 681 Cb 0.04 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2qma h SER 681 CO -0.03 -0.21 0.00 0.79 -1.14 0.00 0.00 176.83 176.24 2qma n TRP 682 N -5.30 0.00 -1.06 3.45 8.01 -0.47 -4.46 117.44 117.61 2qma n TRP 682 Ca -0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 2qma n TRP 682 Cb 0.22 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 29.47 2qma n TRP 682 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qma n GLY 684 N 0.68 -0.63 0.09 6.99 0.00 -1.06 -5.08 105.19 106.17 2qma n GLY 684 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2qma n GLY 684 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qma h LEU 685 N 0.00 0.00 0.00 0.99 3.38 -1.30 -3.51 115.31 114.88 2qma h LEU 685 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qma h LEU 685 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2qma h LEU 685 CO 0.00 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.89 2qma n GLY 686 N 1.42 -1.28 0.34 0.83 0.00 -0.65 -3.99 105.19 101.87 2qma n GLY 686 Ca -0.10 -1.58 0.16 0.00 0.00 0.00 0.00 46.02 44.50 2qma n GLY 686 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qma h GLU 687 N 0.00 0.00 0.00 1.61 5.08 -1.86 -1.58 114.58 117.84 2qma h GLU 687 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qma h GLU 687 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qma h GLU 687 CO 0.00 0.00 -0.02 1.57 -1.00 0.00 0.00 179.01 179.56 2qma h LYS 688 N 0.00 0.00 0.00 2.33 5.09 -1.96 -1.21 116.57 120.82 2qma h LYS 688 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.89 2qma h LYS 688 Cb 0.64 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.97 2qma h LYS 688 CO -0.00 0.02 0.00 0.00 -2.09 0.00 0.00 179.45 177.38 2qma n ALA 689 N -2.15 2.17 -3.05 0.07 0.00 -0.59 -5.02 120.51 111.94 2qma n ALA 689 Ca -0.02 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 2qma n ALA 689 Cb 0.15 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.27 2qma n ALA 689 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qma n VAL 690 N -1.32 0.00 -3.56 0.00 0.31 -0.46 -0.53 118.33 112.76 2qma n VAL 690 Ca 0.10 -1.57 -0.14 0.00 -0.01 0.00 0.00 64.34 62.72 2qma n VAL 690 Cb 0.20 -0.60 -0.05 0.00 -0.91 0.00 0.00 33.84 32.48 2qma n VAL 690 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2qma s THR 692 N -1.92 0.02 -0.04 2.52 -4.23 -1.26 -4.95 115.64 105.79 2qma s THR 692 Ca 0.49 -0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.85 2qma s THR 692 Cb -0.04 -0.97 -0.02 0.00 1.34 0.00 0.00 72.50 72.81 2qma s THR 692 CO 0.31 -0.11 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.38 2qma s VAL 693 N -2.39 2.47 0.33 2.29 1.01 0.14 -4.89 120.40 119.36 2qma s VAL 693 Ca -0.06 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 2qma s VAL 693 Cb -0.01 -1.91 -0.13 0.00 0.00 0.00 0.00 36.38 34.33 2qma s VAL 693 CO -0.01 0.58 0.93 0.47 0.00 0.00 0.00 175.10 177.06 2qma n ASP 694 N 2.48 0.89 -4.89 3.32 8.00 -1.26 -1.53 116.55 123.56 2qma n ASP 694 Ca -0.17 1.11 -0.31 0.00 0.71 0.00 0.00 54.79 56.13 2qma n ASP 694 Cb 0.52 -1.27 -0.05 0.00 -0.02 0.00 0.00 41.12 40.30 2qma n ASP 694 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qma s ALA 695 N -1.16 3.68 1.09 2.24 0.00 -1.26 -1.07 121.76 125.27 2qma s ALA 695 Ca 0.60 -0.45 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 2qma s ALA 695 Cb -0.66 -2.27 0.24 0.00 0.00 0.00 0.00 23.12 20.42 2qma s ALA 695 CO 0.59 0.55 1.07 -0.80 0.00 0.00 0.00 175.76 177.16 2qma s ASN 696 N -2.50 1.74 0.48 0.00 0.02 0.16 -4.79 114.94 110.05 2qma s ASN 696 Ca 0.44 1.22 0.27 0.00 -1.02 0.00 0.00 52.86 53.77 2qma s ASN 696 Cb -0.12 -1.90 0.79 0.00 0.02 0.00 0.00 41.25 40.04 2qma s ASN 696 CO 0.24 -3.69 1.77 0.00 0.02 0.00 0.00 177.10 175.44 2qma h ALA 697 N -2.27 0.99 -0.21 0.60 0.00 -2.00 -1.95 119.26 114.41 2qma h ALA 697 Ca -0.57 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2qma h ALA 697 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2qma h ALA 697 CO 0.53 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.43 2qma n ASP 698 N -3.12 1.34 0.00 0.00 5.68 -1.26 -4.92 116.55 114.27 2qma n ASP 698 Ca 0.02 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 2qma n ASP 698 Cb 0.44 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 2qma n ASP 698 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qma n GLY 699 N 0.96 2.22 0.00 6.12 0.00 -0.73 -4.53 105.19 109.22 2qma n GLY 699 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2qma n GLY 699 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qma n THR 700 N -2.00 0.00 -3.84 2.61 -2.24 -1.26 -4.69 114.28 102.86 2qma n THR 700 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 2qma n THR 700 Cb 0.00 -0.19 -0.15 0.00 -2.10 0.00 0.00 70.33 67.88 2qma n THR 700 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qma s ASP 702 N -1.53 4.15 0.36 3.42 -1.08 -0.24 0.38 116.67 122.14 2qma s ASP 702 Ca 0.00 -1.67 0.27 0.00 -0.52 0.00 0.00 52.55 50.63 2qma s ASP 702 Cb 0.00 -1.10 1.19 0.00 -1.46 0.00 0.00 42.92 41.55 2qma s ASP 702 CO 0.00 -0.38 1.81 0.16 0.52 0.00 0.00 175.17 177.29 2qma h ILE 703 N 6.55 0.00 0.00 4.11 3.07 -2.00 -2.05 117.51 127.18 2qma h ILE 703 Ca -0.12 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 66.04 2qma h ILE 703 Cb 1.03 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 2qma h ILE 703 CO 0.47 0.00 0.00 0.71 -1.05 0.00 0.00 178.15 178.28 2qma h THR 704 N 0.00 0.00 0.00 0.16 1.35 -2.03 -3.11 112.91 109.29 2qma h THR 704 Ca 0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2qma h THR 704 Cb 0.33 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2qma h THR 704 CO 0.00 0.00 -1.79 0.29 -0.25 0.00 0.00 175.52 173.77 2qma n LYS 705 N -2.37 0.52 0.12 4.72 5.02 -0.78 -4.75 118.16 120.64 2qma n LYS 705 Ca 0.04 -0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.04 2qma n LYS 705 Cb 0.36 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 2qma n LYS 705 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2qma h LEU 706 N 0.00 -0.47 -0.72 -0.35 5.85 -1.46 -1.93 115.31 116.23 2qma h LEU 706 Ca 0.00 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 2qma h LEU 706 Cb 0.89 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2qma h LEU 706 CO 0.00 -0.26 -0.29 -0.78 -0.34 0.00 0.00 178.44 176.78 2qma h ASP 707 N -0.36 0.68 -1.00 1.25 3.58 -1.86 -2.36 116.42 116.35 2qma h ASP 707 Ca 0.01 -0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.24 2qma h ASP 707 Cb 0.36 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 2qma h ASP 707 CO -0.06 0.93 0.66 -0.08 -2.88 0.00 0.00 179.24 177.81 2qma h GLU 708 N 0.57 1.22 -0.55 0.28 4.57 -1.79 0.45 114.58 119.33 2qma h GLU 708 Ca 0.07 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2qma h GLU 708 Cb 0.78 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 2qma h GLU 708 CO 0.06 0.81 0.06 0.28 -1.18 0.00 0.00 179.01 179.04 2qma h VAL 709 N 1.26 1.26 -0.18 0.32 2.07 -1.04 -0.19 116.25 119.75 2qma h VAL 709 Ca 0.41 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 2qma h VAL 709 Cb 0.02 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2qma h VAL 709 CO -0.13 0.37 -0.01 0.40 0.02 0.00 0.00 177.57 178.21 2qma h ILE 710 N 0.81 1.27 -0.66 4.57 2.04 -0.80 -2.18 117.51 122.55 2qma h ILE 710 Ca 0.16 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 2qma h ILE 710 Cb 0.45 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2qma h ILE 710 CO 0.02 0.27 0.20 0.00 0.00 0.00 0.00 178.15 178.64 2qma h ALA 711 N 0.76 0.87 -0.70 1.87 0.00 -0.10 -1.42 119.26 120.54 2qma h ALA 711 Ca 0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2qma h ALA 711 Cb 0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2qma h ALA 711 CO 0.01 0.55 0.20 0.37 0.00 0.00 0.00 179.25 180.38 2qma h GLN 712 N 0.97 1.10 -0.06 0.00 5.75 -1.03 -0.72 115.11 121.12 2qma h GLN 712 Ca 0.21 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2qma h GLN 712 Cb 0.31 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 2qma h GLN 712 CO -0.01 0.95 0.03 0.00 -2.65 0.00 0.00 178.83 177.16 2qma h ALA 713 N 1.16 0.08 -0.88 3.38 0.00 -1.12 -2.35 119.26 119.52 2qma h ALA 713 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qma h ALA 713 Cb 0.33 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2qma h ALA 713 CO -0.00 -0.39 0.49 0.87 0.00 0.00 0.00 179.25 180.23 2qma h LYS 714 N 0.01 1.22 -0.64 0.00 1.57 -1.04 -0.38 116.57 117.31 2qma h LYS 714 Ca 0.02 -0.14 0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2qma h LYS 714 Cb 0.08 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 2qma h LYS 714 CO -0.00 0.88 0.43 0.00 -0.57 0.00 0.00 179.45 180.19 2qma h ALA 715 N 1.27 2.01 -0.03 3.86 0.00 -0.93 0.04 119.26 125.49 2qma h ALA 715 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2qma h ALA 715 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qma h ALA 715 CO -0.05 -0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.43 2qma n GLU 716 N -4.47 1.19 -0.80 0.00 1.02 -0.51 -4.90 120.64 112.16 2qma n GLU 716 Ca 0.11 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2qma n GLU 716 Cb 0.39 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2qma n GLU 716 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qma n GLY 717 N 0.95 0.67 3.88 0.62 0.00 0.00 -5.06 105.19 106.26 2qma n GLY 717 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2qma n GLY 717 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qma s LEU 718 N 0.00 3.04 -0.48 0.99 1.43 -0.27 -4.92 118.68 118.47 2qma s LEU 718 Ca 0.00 1.19 0.03 0.00 -1.03 0.00 0.00 54.13 54.32 2qma s LEU 718 Cb 0.00 -4.07 0.15 0.00 0.03 0.00 0.00 46.19 42.29 2qma s LEU 718 CO 0.00 -1.15 0.30 -0.63 0.23 0.00 0.00 176.35 175.09 2qma s ILE 719 N -3.26 1.51 -0.05 -0.59 1.01 0.11 -4.00 121.20 115.92 2qma s ILE 719 Ca 0.57 -2.88 -0.30 0.00 0.00 0.00 0.00 60.65 58.04 2qma s ILE 719 Cb -0.11 -2.04 -0.07 0.00 0.01 0.00 0.00 42.46 40.26 2qma s ILE 719 CO 0.52 -0.97 1.88 -2.84 0.00 0.00 0.00 174.94 173.53 2qma s PRO 720 N -0.01 3.98 -0.00 2.79 0.02 -1.26 -1.04 135.00 139.47 2qma s PRO 720 Ca 0.21 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.57 2qma s PRO 720 Cb -0.16 -4.13 -0.02 0.00 0.02 0.00 0.00 34.50 30.20 2qma s PRO 720 CO -0.06 -1.11 0.06 1.97 -0.33 0.00 0.00 177.00 177.52 2qma n PHE 721 N 8.07 0.00 -3.83 6.54 1.16 0.26 -4.88 117.46 124.78 2qma n PHE 721 Ca 0.20 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.66 2qma n PHE 721 Cb 0.42 -0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.18 2qma n PHE 721 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2qma s ALA 722 N -1.67 -0.49 -0.02 1.98 0.00 -1.22 -1.44 121.76 118.90 2qma s ALA 722 Ca -0.00 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.03 2qma s ALA 722 Cb 0.01 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.21 2qma s ALA 722 CO 0.07 -0.22 -0.03 -1.50 0.00 0.00 0.00 175.76 174.09 2qma s ILE 723 N -1.27 0.29 -0.26 0.00 2.07 -0.24 -0.28 121.20 121.50 2qma s ILE 723 Ca -0.13 -0.07 -0.08 0.00 -1.41 0.00 0.00 60.65 58.96 2qma s ILE 723 Cb -0.06 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.19 2qma s ILE 723 CO 0.02 0.13 0.09 -0.69 -1.91 0.00 0.00 174.94 172.58 2qma s VAL 724 N 0.47 4.34 -0.20 4.00 1.01 0.10 -1.41 120.40 128.72 2qma s VAL 724 Ca -0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 2qma s VAL 724 Cb -0.08 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2qma s VAL 724 CO -0.01 0.27 0.30 -0.83 0.00 0.00 0.00 175.10 174.83 2qma s GLY 725 N 1.61 2.10 -0.28 4.51 0.00 -0.10 -4.48 107.32 110.67 2qma s GLY 725 Ca 0.06 -0.59 -0.13 0.00 0.00 0.00 0.00 44.72 44.05 2qma s GLY 725 CO 0.04 0.58 0.29 -1.59 0.00 0.00 0.00 173.10 172.42 2qma s THR 726 N 0.97 5.24 -1.13 0.90 2.01 -1.26 -0.03 115.64 122.34 2qma s THR 726 Ca 0.15 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 2qma s THR 726 Cb -0.14 -3.63 0.27 0.00 0.01 0.00 0.00 72.50 69.01 2qma s THR 726 CO 0.06 0.18 1.28 0.00 -0.69 0.00 0.00 174.62 175.44 2qma n ALA 727 N 5.21 4.47 0.00 7.40 0.00 -0.25 -1.29 120.51 136.05 2qma n ALA 727 Ca -0.11 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 48.70 2qma n ALA 727 Cb 0.51 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.43 2qma n ALA 727 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qma n GLY 728 N 2.54 0.80 3.75 0.00 0.00 0.58 -0.39 105.19 112.47 2qma n GLY 728 Ca 0.27 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 2qma n GLY 728 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qma s THR 729 N -0.01 2.43 0.20 2.61 -4.23 0.08 -4.50 115.64 112.22 2qma s THR 729 Ca 0.00 0.30 -0.10 0.00 -1.18 0.00 0.00 61.69 60.71 2qma s THR 729 Cb 0.00 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.83 2qma s THR 729 CO 0.00 -0.03 1.79 0.74 -0.54 0.00 0.00 174.62 176.59 2qma h THR 730 N 1.24 0.94 0.06 3.99 2.02 -1.93 0.47 112.91 119.70 2qma h THR 730 Ca -0.50 -0.21 -0.28 0.00 0.77 0.00 0.00 66.41 66.18 2qma h THR 730 Cb 1.29 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2qma h THR 730 CO 0.57 0.11 -1.54 0.44 0.37 0.00 0.00 175.52 175.47 2qma h ASP 731 N 0.60 0.21 0.69 4.18 3.32 -1.92 -3.41 116.42 120.09 2qma h ASP 731 Ca 0.28 -0.72 -0.11 0.00 0.02 0.00 0.00 57.03 56.50 2qma h ASP 731 Cb 0.19 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2qma h ASP 731 CO -0.19 1.64 -1.39 1.41 -1.72 0.00 0.00 179.24 178.99 2qma n HIS 732 N -4.02 0.84 -1.27 4.55 8.25 -1.25 -4.74 115.22 117.57 2qma n HIS 732 Ca -0.31 0.27 -0.08 0.00 -0.26 0.00 0.00 57.72 57.33 2qma n HIS 732 Cb 0.84 -0.99 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 2qma n HIS 732 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qma n GLY 733 N 1.33 0.98 3.76 -1.41 0.00 0.15 -3.51 105.19 106.50 2qma n GLY 733 Ca -0.07 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 2qma n GLY 733 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qma s ALA 734 N -2.31 3.13 -0.26 4.61 0.00 -1.26 -4.09 121.76 121.58 2qma s ALA 734 Ca 0.00 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 2qma s ALA 734 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.62 2qma s ALA 734 CO 0.00 -0.99 -0.02 0.42 0.00 0.00 0.00 175.76 175.18 2qma s ILE 735 N -1.30 3.29 0.90 0.00 1.01 -1.26 -0.31 121.20 123.54 2qma s ILE 735 Ca 0.62 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 2qma s ILE 735 Cb -0.38 -2.64 0.11 0.00 0.01 0.00 0.00 42.46 39.56 2qma s ILE 735 CO 0.48 0.21 1.01 0.47 0.00 0.00 0.00 174.94 177.11 2qma n ASP 736 N 4.75 -0.02 -4.56 3.58 8.00 -0.41 -4.86 116.55 123.02 2qma n ASP 736 Ca -0.16 0.44 -0.36 0.00 0.71 0.00 0.00 54.79 55.42 2qma n ASP 736 Cb 0.48 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.12 2qma n ASP 736 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qma s ASP 737 N -2.40 6.02 0.26 -2.24 -1.08 -1.26 -4.82 116.67 111.15 2qma s ASP 737 Ca 0.66 -1.24 -0.01 0.00 -0.52 0.00 0.00 52.55 51.44 2qma s ASP 737 Cb -0.24 -2.57 0.35 0.00 -1.46 0.00 0.00 42.92 39.00 2qma s ASP 737 CO 0.58 -1.95 1.75 -0.07 0.52 0.00 0.00 175.17 176.00 2qma h LEU 738 N 14.62 0.70 -0.43 -1.34 3.38 -1.89 -0.97 115.31 129.38 2qma h LEU 738 Ca 0.18 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2qma h LEU 738 Cb 1.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2qma h LEU 738 CO 1.35 0.81 0.04 -0.78 0.09 0.00 0.00 178.44 179.95 2qma h ASP 739 N 0.67 0.71 -0.61 -0.43 3.58 -1.78 0.23 116.42 118.79 2qma h ASP 739 Ca 0.12 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.21 2qma h ASP 739 Cb 0.50 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 2qma h ASP 739 CO 0.03 0.81 0.07 0.15 -2.88 0.00 0.00 179.24 177.42 2qma h PHE 740 N 0.59 1.12 -0.62 0.28 3.57 -1.84 -0.54 116.94 119.51 2qma h PHE 740 Ca 0.13 -0.16 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 2qma h PHE 740 Cb 0.42 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2qma h PHE 740 CO 0.03 0.96 0.06 0.82 -2.23 0.00 0.00 178.31 177.95 2qma h ILE 741 N 0.98 1.26 -0.77 1.41 2.04 -0.98 -2.46 117.51 118.99 2qma h ILE 741 Ca 0.19 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 2qma h ILE 741 Cb 0.47 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2qma h ILE 741 CO 0.02 0.39 0.33 0.00 0.00 0.00 0.00 178.15 178.89 2qma h ALA 742 N 1.09 1.00 0.00 1.87 0.00 -0.28 -0.57 119.26 122.37 2qma h ALA 742 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qma h ALA 742 Cb 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qma h ALA 742 CO 0.02 0.61 0.00 -0.25 0.00 0.00 0.00 179.25 179.63 2qma n ASP 743 N -4.32 0.12 0.00 0.00 8.00 -0.23 -1.47 116.55 118.64 2qma n ASP 743 Ca 0.07 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2qma n ASP 743 Cb 0.17 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2qma n ASP 743 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qma n ALA 745 N 0.82 0.00 0.05 2.24 0.00 -0.22 -1.04 120.51 122.36 2qma n ALA 745 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2qma n ALA 745 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 2qma n ALA 745 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qma h VAL 746 N 0.00 1.08 -0.88 0.00 2.07 -1.53 -0.16 116.25 116.83 2qma h VAL 746 Ca 0.00 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 66.97 2qma h VAL 746 Cb 0.00 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2qma h VAL 746 CO 0.00 0.15 0.58 0.50 0.02 0.00 0.00 177.57 178.81 2qma h LYS 747 N -0.37 1.05 -0.22 1.57 3.64 -1.36 -2.92 116.57 117.96 2qma h LYS 747 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qma h LYS 747 Cb 0.32 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2qma h LYS 747 CO 0.02 0.70 0.00 0.72 -2.27 0.00 0.00 179.45 178.61 2qma n HIS 748 N -4.45 0.28 -2.82 1.91 8.25 -1.23 -5.24 115.22 111.92 2qma n HIS 748 Ca 0.12 -0.38 -0.01 0.00 -0.26 0.00 0.00 57.72 57.19 2qma n HIS 748 Cb 0.12 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 2qma n HIS 748 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2qma n ASP 749 N 0.37 -6.04 0.00 0.41 8.00 -0.07 -4.98 116.55 114.23 2qma n ASP 749 Ca 0.08 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.75 2qma n ASP 749 Cb 0.35 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 2qma n ASP 749 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2qma n TRP 751 N 1.21 0.00 -3.47 1.24 -0.00 -0.52 -4.91 117.44 110.99 2qma n TRP 751 Ca -0.09 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.43 2qma n TRP 751 Cb 0.25 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.51 2qma n TRP 751 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 2qma s HIS 753 N 0.83 -0.09 -0.28 5.87 2.46 -0.50 -1.08 115.29 122.50 2qma s HIS 753 Ca 0.00 0.17 -0.11 0.00 0.47 0.00 0.00 55.06 55.59 2qma s HIS 753 Cb 0.00 0.05 -0.05 0.00 -0.13 0.00 0.00 32.58 32.45 2qma s HIS 753 CO 0.00 -0.04 0.19 0.08 -2.47 0.00 0.00 174.74 172.49 2qma s VAL 754 N 1.44 5.29 -0.69 0.89 1.01 -0.09 -0.93 120.40 127.33 2qma s VAL 754 Ca -0.05 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 2qma s VAL 754 Cb -0.02 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.91 2qma s VAL 754 CO -0.12 0.26 1.02 -0.62 0.00 0.00 0.00 175.10 175.63 2qma s ASP 755 N 1.73 6.20 -0.30 3.32 -1.08 0.96 -1.37 116.67 126.13 2qma s ASP 755 Ca 0.07 -0.98 0.11 0.00 -0.52 0.00 0.00 52.55 51.22 2qma s ASP 755 Cb -0.16 -2.44 0.68 0.00 -1.46 0.00 0.00 42.92 39.54 2qma s ASP 755 CO 0.11 -1.48 1.70 0.61 0.52 0.00 0.00 175.17 176.62 2qma n GLY 756 N 5.37 3.92 0.26 2.66 0.00 0.03 -1.09 105.19 116.34 2qma n GLY 756 Ca -0.01 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 2qma n GLY 756 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qma h ALA 757 N 2.26 0.11 0.00 4.61 0.00 -1.80 -0.97 119.26 123.47 2qma h ALA 757 Ca 0.22 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2qma h ALA 757 Cb 2.09 0.50 0.00 0.00 0.00 0.00 0.00 17.79 20.38 2qma h ALA 757 CO 0.60 -0.56 -0.03 -0.92 0.00 0.00 0.00 179.25 178.34 2qma h TYR 758 N -0.12 0.00 -0.01 0.00 3.20 -1.79 -3.32 116.97 114.93 2qma h TYR 758 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2qma h TYR 758 Cb 0.44 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2qma h TYR 758 CO -0.46 0.00 -0.03 0.41 -1.64 0.00 0.00 178.16 176.44 2qma n GLY 759 N 1.89 -0.28 0.29 1.82 0.00 0.47 -3.57 105.19 105.81 2qma n GLY 759 Ca -0.00 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.77 2qma n GLY 759 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qma h GLY 760 N 4.89 0.00 2.00 -0.02 0.00 -1.28 -1.55 103.07 107.11 2qma h GLY 760 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qma h GLY 760 CO 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.52 2qma h ALA 761 N 1.96 1.30 0.00 3.60 0.00 -1.77 -2.40 119.26 121.95 2qma h ALA 761 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qma h ALA 761 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qma h ALA 761 CO 0.01 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.56 2qma n LEU 762 N -3.54 0.12 0.28 0.00 4.77 -0.58 -1.97 117.00 116.08 2qma n LEU 762 Ca -0.03 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 2qma n LEU 762 Cb 0.11 -0.55 0.80 0.00 -2.33 0.00 0.00 43.42 41.44 2qma n LEU 762 CO 0.25 -0.51 1.07 -0.29 -1.33 0.00 0.00 177.39 176.59 2qma h ILE 763 N 0.00 0.68 -0.01 -0.08 6.09 -1.64 -1.85 117.51 120.71 2qma h ILE 763 Ca 0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 2qma h ILE 763 Cb 0.08 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.45 2qma h ILE 763 CO 0.00 0.03 -0.16 0.18 -3.07 0.00 0.00 178.15 175.13 2qma n LEU 764 N -4.01 0.92 -4.96 2.19 4.77 -0.83 -4.77 117.00 110.31 2qma n LEU 764 Ca -0.03 -0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.50 2qma n LEU 764 Cb 0.12 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2qma n LEU 764 CO 0.30 0.17 0.19 -0.94 -1.33 0.00 0.00 177.39 175.78 2qma s SER 765 N -2.39 4.81 0.00 -1.43 1.04 -0.70 -4.00 113.70 111.02 2qma s SER 765 Ca 0.29 -1.10 0.09 0.00 0.48 0.00 0.00 55.95 55.70 2qma s SER 765 Cb 0.20 0.43 0.39 0.00 0.10 0.00 0.00 66.02 67.15 2qma s SER 765 CO 0.47 -1.24 1.27 -1.20 0.98 0.00 0.00 173.24 173.51 2qma n SER 766 N -2.00 0.00 -0.99 7.02 7.64 -1.26 -2.76 113.62 121.28 2qma n SER 766 Ca 0.06 0.44 0.08 0.00 1.01 0.00 0.00 58.87 60.46 2qma n SER 766 Cb 0.63 -0.46 0.24 0.00 -1.01 0.00 0.00 64.21 63.61 2qma n SER 766 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2qma n HIS 767 N -1.46 0.89 -0.37 1.43 8.25 -1.26 -4.63 115.22 118.07 2qma n HIS 767 Ca 0.03 -0.64 0.28 0.00 -0.26 0.00 0.00 57.72 57.13 2qma n HIS 767 Cb 0.10 -0.16 0.54 0.00 1.12 0.00 0.00 29.99 31.59 2qma n HIS 767 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2qma h LYS 768 N 2.59 0.24 -0.42 -0.41 3.64 -1.42 -1.29 116.57 119.49 2qma h LYS 768 Ca 0.00 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 2qma h LYS 768 Cb 1.13 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 2qma h LYS 768 CO 0.12 0.16 0.34 0.66 -2.27 0.00 0.00 179.45 178.46 2qma h SER 769 N 0.24 0.00 0.24 4.20 4.64 -1.89 -0.32 113.55 120.66 2qma h SER 769 Ca 0.74 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 62.05 2qma h SER 769 Cb 1.96 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.05 2qma h SER 769 CO -0.50 0.00 -0.07 0.03 -0.87 0.00 0.00 176.83 175.42 2qma h ARG 770 N 0.00 0.00 -0.42 4.77 3.08 -1.62 -1.73 114.38 118.47 2qma h ARG 770 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2qma h ARG 770 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2qma h ARG 770 CO -0.00 0.07 0.00 1.28 -1.07 0.00 0.00 179.97 180.25 2qma n LEU 771 N -3.66 2.29 -4.64 3.04 4.77 -0.13 -4.84 117.00 113.82 2qma n LEU 771 Ca -0.02 -1.14 -0.51 0.00 -0.03 0.00 0.00 56.01 54.31 2qma n LEU 771 Cb 0.18 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 2qma n LEU 771 CO 0.29 0.57 1.12 1.17 -1.33 0.00 0.00 177.39 179.20 2qma n LYS 772 N 0.75 1.54 0.00 3.23 3.00 -0.65 -0.91 118.16 125.12 2qma n LYS 772 Ca 0.15 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 59.01 2qma n LYS 772 Cb 0.36 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 33.13 2qma n LYS 772 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qma n GLY 773 N 3.24 1.55 0.34 3.14 0.00 -1.26 -2.52 105.19 109.68 2qma n GLY 773 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.38 2qma n GLY 773 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qma h VAL 774 N 0.00 0.55 0.00 1.61 3.04 -1.32 0.05 116.25 120.19 2qma h VAL 774 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2qma h VAL 774 Cb 0.00 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.20 2qma h VAL 774 CO 0.00 0.11 0.00 -1.84 -1.01 0.00 0.00 177.57 174.83 2qma n GLU 775 N -4.89 0.03 0.00 4.17 0.00 -1.26 -1.60 120.64 117.10 2qma n GLU 775 Ca 0.26 0.38 0.12 0.00 0.00 0.00 0.00 57.16 57.91 2qma n GLU 775 Cb 0.71 -1.58 0.15 0.00 0.00 0.00 0.00 31.44 30.72 2qma n GLU 775 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2qma n ARG 776 N -1.64 0.81 -1.74 3.44 1.74 0.00 -4.65 116.66 114.64 2qma n ARG 776 Ca 0.02 -0.60 -0.39 0.00 -0.77 0.00 0.00 57.85 56.11 2qma n ARG 776 Cb 0.11 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.10 2qma n ARG 776 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qma n ALA 777 N -0.57 1.58 -0.15 7.54 0.00 -0.62 -4.94 120.51 123.34 2qma n ALA 777 Ca 0.09 0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.59 2qma n ALA 777 Cb 0.39 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.50 2qma n ALA 777 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qma h HIS 778 N 1.69 1.11 -3.69 0.00 3.86 -1.93 -3.36 115.15 112.83 2qma h HIS 778 Ca -0.50 -0.27 -0.09 0.00 -1.16 0.00 0.00 60.37 58.35 2qma h HIS 778 Cb 1.30 -0.26 -0.14 0.00 1.06 0.00 0.00 27.41 29.37 2qma h HIS 778 CO 0.46 1.09 -0.33 -1.54 0.86 0.00 0.00 177.93 178.47 2qma s SER 779 N -6.68 0.05 -0.08 2.45 1.04 -1.26 -2.37 113.70 106.84 2qma s SER 779 Ca -0.12 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 55.73 2qma s SER 779 Cb 0.12 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2qma s SER 779 CO 0.87 -0.71 0.18 -0.63 0.98 0.00 0.00 173.24 173.92 2qma s ILE 780 N -3.60 -0.13 -0.16 -1.02 1.01 0.32 -0.91 121.20 116.70 2qma s ILE 780 Ca 0.03 0.22 -0.17 0.00 0.00 0.00 0.00 60.65 60.73 2qma s ILE 780 Cb 0.03 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 2qma s ILE 780 CO -0.10 0.09 0.46 -0.55 0.00 0.00 0.00 174.94 174.84 2qma s SER 781 N 1.55 6.57 -0.14 3.58 0.15 -0.47 -0.34 113.70 124.61 2qma s SER 781 Ca -0.06 0.68 0.01 0.00 0.70 0.00 0.00 55.95 57.29 2qma s SER 781 Cb -0.11 -2.27 0.02 0.00 -1.71 0.00 0.00 66.02 61.94 2qma s SER 781 CO -0.07 -0.07 -0.17 -0.69 1.20 0.00 0.00 173.24 173.44 2qma s VAL 782 N 1.08 1.74 -0.40 4.45 1.01 -0.55 -0.79 120.40 126.93 2qma s VAL 782 Ca 0.23 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2qma s VAL 782 Cb -0.15 -1.58 0.10 0.00 0.00 0.00 0.00 36.38 34.75 2qma s VAL 782 CO 0.09 0.49 0.20 -1.81 0.00 0.00 0.00 175.10 174.07 2qma s ASP 783 N 1.11 5.32 0.33 3.32 1.11 -1.25 -0.35 116.67 126.26 2qma s ASP 783 Ca -0.02 -1.86 0.17 0.00 0.18 0.00 0.00 52.55 51.01 2qma s ASP 783 Cb -0.14 -1.86 0.49 0.00 1.07 0.00 0.00 42.92 42.48 2qma s ASP 783 CO -0.05 -0.53 1.64 -0.26 1.18 0.00 0.00 175.17 177.15 2qma h PHE 784 N 8.14 0.00 0.00 4.23 0.04 -0.69 -2.88 116.94 125.78 2qma h PHE 784 Ca -0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.61 2qma h PHE 784 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2qma h PHE 784 CO 0.58 0.45 0.00 -2.39 -0.60 0.00 0.00 178.31 176.35 2qma n HIS 785 N -3.48 0.00 0.00 -0.55 1.44 -1.05 -1.75 115.22 109.83 2qma n HIS 785 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2qma n HIS 785 Cb 0.59 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.67 2qma n HIS 785 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2qma n LYS 786 N -0.37 0.00 0.00 -1.40 5.02 -1.09 -4.07 118.16 116.26 2qma n LYS 786 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2qma n LYS 786 Cb 0.06 0.00 0.68 0.00 -0.02 0.00 0.00 35.03 35.75 2qma n LYS 786 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2qma n LEU 787 N 0.00 0.00 -0.22 -0.35 7.94 -1.26 -1.72 117.00 121.39 2qma n LEU 787 Ca 0.00 0.25 0.14 0.00 -1.11 0.00 0.00 56.01 55.29 2qma n LEU 787 Cb 0.00 -0.25 0.51 0.00 0.53 0.00 0.00 43.42 44.21 2qma n LEU 787 CO 0.00 -0.03 0.78 0.49 -1.11 0.00 0.00 177.39 177.52 2qma n PHE 788 N -1.25 0.00 -1.32 1.96 3.72 -1.12 -4.94 117.46 114.51 2qma n PHE 788 Ca 0.13 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.43 2qma n PHE 788 Cb 0.19 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 2qma n PHE 788 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2qma n TYR 789 N -0.66 0.00 -2.62 1.38 4.01 -0.70 -4.87 117.16 113.70 2qma n TYR 789 Ca 0.14 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.55 2qma n TYR 789 Cb 0.31 -2.29 -0.05 0.00 -0.31 0.00 0.00 39.34 37.01 2qma n TYR 789 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2qma s GLN 790 N -2.77 3.94 0.39 -0.72 -1.52 -0.72 -0.52 119.66 117.74 2qma s GLN 790 Ca 0.00 1.26 -0.27 0.00 -1.95 0.00 0.00 55.36 54.40 2qma s GLN 790 Cb 0.00 -2.12 -0.10 0.00 -0.22 0.00 0.00 33.01 30.57 2qma s GLN 790 CO 0.00 -0.30 1.40 0.95 -0.25 0.00 0.00 175.29 177.09 2qma s THR 791 N -2.08 2.31 0.36 -0.19 -4.23 -1.26 -3.97 115.64 106.57 2qma s THR 791 Ca 0.65 0.30 -0.28 0.00 -1.18 0.00 0.00 61.69 61.17 2qma s THR 791 Cb -0.14 -3.18 -0.11 0.00 1.34 0.00 0.00 72.50 70.41 2qma s THR 791 CO 0.18 0.06 1.49 -0.63 -0.54 0.00 0.00 174.62 175.18 2qma s ILE 792 N -1.17 2.11 0.23 2.99 1.01 -1.26 -3.78 121.20 121.33 2qma s ILE 792 Ca 0.54 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.18 2qma s ILE 792 Cb -0.43 -3.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.90 2qma s ILE 792 CO 0.57 0.02 0.60 -0.94 0.00 0.00 0.00 174.94 175.19 2qma s SER 793 N -0.06 6.73 -0.33 3.58 1.04 -1.26 -5.14 113.70 118.25 2qma s SER 793 Ca 0.54 1.06 0.00 0.00 0.48 0.00 0.00 55.95 58.03 2qma s SER 793 Cb -0.46 -2.28 0.19 0.00 0.10 0.00 0.00 66.02 63.57 2qma s SER 793 CO 0.60 -0.06 0.78 0.00 0.98 0.00 0.00 173.24 175.54 2qma s GLY 795 N 2.43 0.04 0.05 0.00 0.00 -1.15 0.05 107.32 108.74 2qma s GLY 795 Ca 0.16 -0.45 -0.00 0.00 0.00 0.00 0.00 44.72 44.43 2qma s GLY 795 CO -0.18 -0.64 -0.04 0.00 0.00 0.00 0.00 173.10 172.24 2qma s ALA 796 N -3.43 0.49 -0.14 3.20 0.00 0.53 -0.38 121.76 122.04 2qma s ALA 796 Ca 0.01 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2qma s ALA 796 Cb 0.03 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 2qma s ALA 796 CO -0.09 -0.29 -0.16 -1.17 0.00 0.00 0.00 175.76 174.06 2qma s LEU 797 N -2.55 2.51 0.10 0.00 2.96 0.23 -1.48 118.68 120.45 2qma s LEU 797 Ca 0.02 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.55 2qma s LEU 797 Cb 0.03 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 2qma s LEU 797 CO -0.07 0.13 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.32 2qma s LEU 798 N 0.56 3.39 0.01 -0.68 1.43 0.54 -1.68 118.68 122.26 2qma s LEU 798 Ca -0.10 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2qma s LEU 798 Cb -0.16 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 2qma s LEU 798 CO 0.04 0.16 -0.11 0.68 0.23 0.00 0.00 176.35 177.35 2qma s VAL 799 N -1.36 0.83 0.11 -1.59 -7.23 0.33 -0.52 120.40 110.97 2qma s VAL 799 Ca 0.25 -0.66 0.19 0.00 -1.81 0.00 0.00 61.98 59.95 2qma s VAL 799 Cb -0.11 -0.74 0.14 0.00 0.56 0.00 0.00 36.38 36.23 2qma s VAL 799 CO 0.18 0.08 1.70 -1.13 -0.31 0.00 0.00 175.10 175.62 2qma h ASN 800 N 5.45 0.00 -3.15 4.85 -0.73 -1.62 -1.14 115.58 119.24 2qma h ASN 800 Ca -0.34 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.31 2qma h ASN 800 Cb 1.18 0.00 -0.40 0.00 0.27 0.00 0.00 38.32 39.37 2qma h ASN 800 CO 0.47 0.37 -0.76 -0.62 -0.37 0.00 0.00 177.43 176.52 2qma s ASP 801 N -6.40 3.17 0.19 1.15 -1.08 -1.26 -2.51 116.67 109.93 2qma s ASP 801 Ca 0.01 -1.03 0.18 0.00 -0.52 0.00 0.00 52.55 51.18 2qma s ASP 801 Cb 0.10 -0.57 0.82 0.00 -1.46 0.00 0.00 42.92 41.82 2qma s ASP 801 CO 0.69 -0.35 1.54 2.29 0.52 0.00 0.00 175.17 179.85 2qma n LYS 802 N 5.07 0.11 0.27 4.34 2.85 0.33 -1.25 118.16 129.89 2qma n LYS 802 Ca -0.07 0.48 0.14 0.00 -1.05 0.00 0.00 58.31 57.81 2qma n LYS 802 Cb 0.46 -1.78 0.74 0.00 -0.65 0.00 0.00 35.03 33.80 2qma n LYS 802 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2qma h SER 803 N 0.00 0.00 0.40 -5.58 4.64 -1.95 -0.82 113.55 110.23 2qma h SER 803 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2qma h SER 803 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2qma h SER 803 CO 0.00 0.10 -0.06 0.78 -0.87 0.00 0.00 176.83 176.78 2qma h ASN 804 N 0.00 0.00 0.29 4.97 2.35 -1.59 -0.18 115.58 121.42 2qma h ASN 804 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qma h ASN 804 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2qma h ASN 804 CO 0.01 0.06 0.00 0.49 -1.65 0.00 0.00 177.43 176.34 2qma n PHE 805 N -3.38 0.17 0.16 1.19 3.72 -0.31 -3.00 117.46 116.01 2qma n PHE 805 Ca -0.02 0.08 0.17 0.00 -0.05 0.00 0.00 57.45 57.64 2qma n PHE 805 Cb 0.20 -0.63 0.78 0.00 -0.94 0.00 0.00 39.48 38.90 2qma n PHE 805 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2qma h LYS 806 N 0.00 0.00 0.00 -1.08 2.10 -1.19 -1.86 116.57 114.54 2qma h LYS 806 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qma h LYS 806 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2qma h LYS 806 CO 0.00 0.00 0.00 0.74 -2.00 0.00 0.00 179.45 178.19 2qma h PHE 807 N 0.00 0.00 -0.02 0.07 0.04 -1.76 -2.95 116.94 112.32 2qma h PHE 807 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2qma h PHE 807 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 2qma h PHE 807 CO 0.00 0.00 -0.33 1.28 -0.60 0.00 0.00 178.31 178.66 2qma n LEU 808 N -2.53 2.22 -4.37 1.54 4.77 -0.70 -4.81 117.00 113.12 2qma n LEU 808 Ca 0.01 -0.83 -0.45 0.00 -0.03 0.00 0.00 56.01 54.72 2qma n LEU 808 Cb 0.23 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 2qma n LEU 808 CO 0.21 0.40 0.05 -0.76 -1.33 0.00 0.00 177.39 175.96 2qma s LEU 809 N -2.26 5.73 0.00 2.23 1.02 -1.12 -5.18 118.68 119.09 2qma s LEU 809 Ca 0.20 -1.42 0.00 0.00 0.02 0.00 0.00 54.13 52.93 2qma s LEU 809 Cb 0.18 -2.19 0.00 0.00 0.02 0.00 0.00 46.19 44.20 2qma s LEU 809 CO 0.47 -0.69 0.00 1.17 0.02 0.00 0.00 176.35 177.33 2qma n LYS 834 N 5.21 0.00 -2.92 1.70 3.00 -1.26 -5.06 118.16 118.83 2qma n LYS 834 Ca -0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.87 2qma n LYS 834 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.41 2qma n LYS 834 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2qma s ARG 835 N -2.40 3.91 -0.31 1.64 3.52 -1.26 -4.32 118.95 119.73 2qma s ARG 835 Ca 0.00 0.64 -0.06 0.00 -0.13 0.00 0.00 55.73 56.18 2qma s ARG 835 Cb 0.00 -2.37 -0.18 0.00 -1.56 0.00 0.00 34.95 30.85 2qma s ARG 835 CO 0.00 0.02 3.36 0.34 -0.81 0.00 0.00 175.30 178.21 2qma n PHE 836 N -0.91 0.64 0.28 5.12 7.35 -1.26 -4.64 117.46 124.04 2qma n PHE 836 Ca 0.04 -1.80 0.16 0.00 -0.76 0.00 0.00 57.45 55.08 2qma n PHE 836 Cb 0.54 -1.67 0.77 0.00 0.35 0.00 0.00 39.48 39.47 2qma n PHE 836 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2qma h ASP 837 N 3.28 0.00 0.34 -2.13 3.32 -1.94 -2.61 116.42 116.68 2qma h ASP 837 Ca 0.32 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 2qma h ASP 837 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2qma h ASP 837 CO 0.56 0.06 -0.08 0.00 -1.72 0.00 0.00 179.24 178.07 2qma h ALA 838 N 1.94 1.25 -0.89 3.45 0.00 -1.93 -2.35 119.26 120.73 2qma h ALA 838 Ca -0.00 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.97 2qma h ALA 838 Cb 0.40 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2qma h ALA 838 CO 0.01 0.10 0.58 1.25 0.00 0.00 0.00 179.25 181.19 2qma h LEU 839 N 0.00 0.70 -0.08 0.00 5.85 -1.84 -1.42 115.31 118.52 2qma h LEU 839 Ca -0.00 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2qma h LEU 839 Cb 0.27 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2qma h LEU 839 CO 0.01 0.36 -0.22 0.11 -0.34 0.00 0.00 178.44 178.37 2qma h LYS 840 N 0.74 -0.29 -0.19 1.25 1.57 -1.64 -3.02 116.57 115.00 2qma h LYS 840 Ca 0.44 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.20 2qma h LYS 840 Cb 0.64 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2qma h LYS 840 CO -0.20 -0.20 -0.04 0.28 -0.57 0.00 0.00 179.45 178.72 2qma h VAL 841 N -0.30 1.28 0.00 0.50 2.07 -1.60 -0.59 116.25 117.61 2qma h VAL 841 Ca 0.08 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2qma h VAL 841 Cb 0.43 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2qma h VAL 841 CO -0.26 0.30 0.00 0.33 0.02 0.00 0.00 177.57 177.96 2qma n PHE 842 N -4.65 0.00 -0.56 1.57 7.35 -0.58 -4.56 117.46 116.03 2qma n PHE 842 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2qma n PHE 842 Cb 0.27 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.10 2qma n PHE 842 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2qma n THR 844 N -0.18 0.00 0.00 -2.13 -1.04 -0.23 -4.79 114.28 105.90 2qma n THR 844 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2qma n THR 844 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2qma n THR 844 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qma n GLN 846 N -0.56 0.00 0.00 -2.82 6.02 -1.26 -0.98 117.38 117.78 2qma n GLN 846 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qma n GLN 846 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2qma n GLN 846 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2qma n ASN 847 N 0.00 0.00 -0.04 1.08 4.05 -1.26 -4.76 115.26 114.32 2qma n ASN 847 Ca 0.00 0.02 -0.13 0.00 0.45 0.00 0.00 54.58 54.92 2qma n ASN 847 Cb 0.00 -0.32 -0.08 0.00 1.23 0.00 0.00 39.78 40.61 2qma n ASN 847 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 2qma h VAL 848 N 0.00 1.37 0.00 3.44 2.07 -1.50 -3.50 116.25 118.12 2qma h VAL 848 Ca 0.00 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2qma h VAL 848 Cb 0.00 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2qma h VAL 848 CO 0.00 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.59 2qma n GLY 849 N 0.29 -2.51 0.24 2.17 0.00 -0.85 -4.36 105.19 100.17 2qma n GLY 849 Ca -0.07 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 2qma n GLY 849 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qma h PRO 850 N 0.00 0.45 -0.25 1.61 0.13 -1.97 -2.89 132.00 129.08 2qma h PRO 850 Ca 0.00 -0.15 -0.05 0.00 -0.87 0.00 0.00 66.00 64.93 2qma h PRO 850 Cb 0.00 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 2qma h PRO 850 CO 0.00 0.63 -0.04 -0.22 -0.23 0.00 0.00 178.00 178.14 2qma h LYS 851 N 0.41 0.46 -0.40 0.86 1.63 -1.86 -0.79 116.57 116.89 2qma h LYS 851 Ca 0.07 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2qma h LYS 851 Cb 0.57 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2qma h LYS 851 CO 0.04 0.67 0.26 0.00 -3.45 0.00 0.00 179.45 176.97 2qma h ALA 852 N 0.78 0.51 -0.16 5.00 0.00 -1.74 0.96 119.26 124.61 2qma h ALA 852 Ca 0.06 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2qma h ALA 852 Cb 0.49 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2qma h ALA 852 CO 0.02 -0.03 -0.17 -0.07 0.00 0.00 0.00 179.25 179.01 2qma h LEU 853 N 0.54 -0.53 -1.07 0.00 3.38 -1.40 -2.35 115.31 113.88 2qma h LEU 853 Ca 0.15 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.30 2qma h LEU 853 Cb -0.05 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 2qma h LEU 853 CO -0.03 -0.21 0.62 1.23 0.09 0.00 0.00 178.44 180.14 2qma h GLY 854 N -0.20 1.47 -2.35 0.83 0.00 -0.35 -1.94 103.07 100.53 2qma h GLY 854 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2qma h GLY 854 CO -0.27 0.26 0.00 1.22 0.00 0.00 0.00 176.54 177.75 2qma n ASP 855 N -4.53 0.87 0.00 0.19 8.00 0.26 -1.07 116.55 120.27 2qma n ASP 855 Ca 0.16 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.99 2qma n ASP 855 Cb 0.25 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2qma n ASP 855 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2qma n TYR 857 N 1.08 0.00 -0.16 1.24 4.01 -0.73 -1.31 117.16 121.28 2qma n TYR 857 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 2qma n TYR 857 Cb 0.13 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.20 2qma n TYR 857 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2qma h ASP 858 N 0.00 0.40 -0.49 7.72 3.32 -1.39 -1.24 116.42 124.74 2qma h ASP 858 Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2qma h ASP 858 Cb 0.00 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2qma h ASP 858 CO 0.00 0.28 0.21 -0.74 -1.72 0.00 0.00 179.24 177.28 2qma h HIS 859 N 0.53 0.73 -0.57 4.55 -0.00 -1.46 -2.58 115.15 116.35 2qma h HIS 859 Ca 0.21 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 2qma h HIS 859 Cb 0.09 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 2qma h HIS 859 CO -0.09 0.60 0.31 -0.07 -0.00 0.00 0.00 177.93 178.68 2qma h LEU 860 N 0.65 0.71 -0.48 0.26 3.38 -1.70 0.14 115.31 118.27 2qma h LEU 860 Ca 0.17 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qma h LEU 860 Cb 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qma h LEU 860 CO -0.02 0.60 0.29 -0.07 0.09 0.00 0.00 178.44 179.33 2qma h LEU 861 N 0.76 0.57 -0.58 1.67 4.07 -1.15 -0.21 115.31 120.45 2qma h LEU 861 Ca 0.20 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 2qma h LEU 861 Cb 0.05 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 2qma h LEU 861 CO -0.03 0.45 0.21 0.00 -1.08 0.00 0.00 178.44 177.99 2qma h ALA 862 N 1.14 0.75 -0.28 1.53 0.00 -1.35 -2.58 119.26 118.47 2qma h ALA 862 Ca 0.17 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2qma h ALA 862 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qma h ALA 862 CO -0.03 0.38 -0.40 0.37 0.00 0.00 0.00 179.25 179.57 2qma h GLN 863 N 0.80 0.67 -0.82 0.00 4.15 -0.73 -2.21 115.11 116.97 2qma h GLN 863 Ca 0.19 -0.35 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 2qma h GLN 863 Cb 0.23 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 2qma h GLN 863 CO -0.01 0.95 0.37 1.15 -1.93 0.00 0.00 178.83 179.36 2qma h THR 864 N 0.55 1.26 -0.60 2.39 2.02 -0.92 0.87 112.91 118.49 2qma h THR 864 Ca 0.05 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.50 2qma h THR 864 Cb 0.93 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 2qma h THR 864 CO 0.08 0.32 0.34 -0.07 0.37 0.00 0.00 175.52 176.57 2qma h LEU 865 N 1.18 0.53 -0.69 2.58 3.38 -1.21 -1.21 115.31 119.87 2qma h LEU 865 Ca 0.28 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 2qma h LEU 865 Cb 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2qma h LEU 865 CO -0.03 0.37 0.25 -0.33 0.09 0.00 0.00 178.44 178.78 2qma h GLU 866 N 0.66 1.05 -0.39 1.13 5.08 -0.69 -1.67 114.58 119.76 2qma h GLU 866 Ca 0.25 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2qma h GLU 866 Cb 0.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2qma h GLU 866 CO -0.13 0.89 0.03 0.28 -1.00 0.00 0.00 179.01 179.08 2qma h VAL 867 N 1.00 1.25 -0.63 3.13 2.07 -0.65 -2.66 116.25 119.75 2qma h VAL 867 Ca 0.23 -0.93 0.10 0.00 0.82 0.00 0.00 66.70 66.92 2qma h VAL 867 Cb 0.26 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 2qma h VAL 867 CO -0.01 0.32 0.22 0.00 0.02 0.00 0.00 177.57 178.12 2qma h ALA 868 N 0.90 0.82 0.00 1.67 0.00 -1.09 -1.57 119.26 119.99 2qma h ALA 868 Ca 0.11 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qma h ALA 868 Cb 0.42 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2qma h ALA 868 CO 0.01 -0.21 0.00 -0.25 0.00 0.00 0.00 179.25 178.80 2qma n ASP 869 N -5.02 0.32 0.00 0.00 8.00 -0.64 -0.43 116.55 118.79 2qma n ASP 869 Ca 0.10 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2qma n ASP 869 Cb 0.30 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2qma n ASP 869 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2qma n ILE 871 N 0.88 0.00 -0.35 0.53 5.41 -0.59 -2.05 119.36 123.19 2qma n ILE 871 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.89 2qma n ILE 871 Cb 0.05 0.00 0.34 0.00 -0.71 0.00 0.00 39.64 39.32 2qma n ILE 871 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2qma h ARG 872 N 0.00 0.68 -0.46 0.38 2.43 -1.01 -1.10 114.38 115.30 2qma h ARG 872 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2qma h ARG 872 Cb 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2qma h ARG 872 CO 0.00 0.45 0.00 0.25 -1.51 0.00 0.00 179.97 179.16 2qma n THR 873 N -4.81 0.61 -3.67 0.20 -2.24 -0.87 -4.78 114.28 98.72 2qma n THR 873 Ca 0.24 -0.71 -0.39 0.00 -2.27 0.00 0.00 64.05 60.92 2qma n THR 873 Cb 0.63 0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 69.34 2qma n THR 873 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2qma s ASN 874 N -1.26 5.53 0.00 3.42 3.84 -0.42 -4.98 114.94 121.08 2qma s ASN 874 Ca 0.39 -1.07 0.11 0.00 0.21 0.00 0.00 52.86 52.49 2qma s ASN 874 Cb 0.21 -1.95 0.55 0.00 -0.55 0.00 0.00 41.25 39.52 2qma s ASN 874 CO 0.29 -0.36 1.20 -0.90 -2.79 0.00 0.00 177.10 174.54 2qma n ASP 875 N 4.91 0.00 -0.54 -4.21 5.68 -1.26 -1.71 116.55 119.42 2qma n ASP 875 Ca -0.12 0.04 0.13 0.00 -0.50 0.00 0.00 54.79 54.34 2qma n ASP 875 Cb 0.45 -0.23 0.46 0.00 -1.14 0.00 0.00 41.12 40.67 2qma n ASP 875 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qma n GLN 876 N -1.23 1.74 -4.34 0.11 3.00 -1.26 -4.88 117.38 110.52 2qma n GLN 876 Ca 0.06 -1.08 -0.18 0.00 -0.01 0.00 0.00 57.00 55.79 2qma n GLN 876 Cb 0.07 -1.47 -0.10 0.00 0.00 0.00 0.00 30.24 28.74 2qma n GLN 876 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2qma s PHE 877 N -1.96 1.61 -0.06 1.08 0.08 -0.69 -1.35 117.98 116.70 2qma s PHE 877 Ca 0.36 -0.93 0.00 0.00 0.12 0.00 0.00 56.93 56.48 2qma s PHE 877 Cb 0.20 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.73 2qma s PHE 877 CO 0.32 -0.04 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.37 2qma s GLU 878 N -3.87 0.76 0.03 0.44 2.12 -0.19 -4.77 118.70 113.23 2qma s GLU 878 Ca 0.30 -0.03 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 2qma s GLU 878 Cb 0.06 -0.91 -0.05 0.00 0.26 0.00 0.00 34.13 33.49 2qma s GLU 878 CO 0.10 -0.17 1.21 -1.17 -0.54 0.00 0.00 175.26 174.69 2qma s LEU 879 N 1.33 4.35 -0.00 2.70 2.96 -1.26 -1.14 118.68 127.62 2qma s LEU 879 Ca -0.05 1.98 0.16 0.00 -0.22 0.00 0.00 54.13 56.00 2qma s LEU 879 Cb -0.13 -3.57 -0.17 0.00 0.50 0.00 0.00 46.19 42.81 2qma s LEU 879 CO -0.02 -0.51 0.68 0.18 -1.32 0.00 0.00 176.35 175.35 2qma n LEU 880 N 4.29 0.75 -3.46 -0.68 4.77 0.78 -4.95 117.00 118.50 2qma n LEU 880 Ca 0.10 -0.50 -0.14 0.00 -0.03 0.00 0.00 56.01 55.44 2qma n LEU 880 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2qma n LEU 880 CO 0.56 0.19 0.41 0.00 -1.33 0.00 0.00 177.39 177.21 2qma s ALA 881 N -2.52 -1.64 -0.13 -1.18 0.00 -1.21 -4.99 121.76 110.10 2qma s ALA 881 Ca 0.06 0.76 -0.24 0.00 0.00 0.00 0.00 51.96 52.54 2qma s ALA 881 Cb 0.12 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2qma s ALA 881 CO 0.66 -0.63 0.75 -1.21 0.00 0.00 0.00 175.76 175.33 2qma s GLU 882 N -2.87 4.34 0.60 0.00 0.41 -1.26 -4.58 118.70 115.34 2qma s GLU 882 Ca -0.03 0.91 -0.19 0.00 -0.41 0.00 0.00 54.97 55.25 2qma s GLU 882 Cb -0.01 -3.52 -0.04 0.00 -1.78 0.00 0.00 34.13 28.78 2qma s GLU 882 CO -0.05 -0.15 1.06 -2.30 -0.49 0.00 0.00 175.26 173.33 2qma n PRO 883 N 4.59 1.03 -0.02 0.39 -0.02 -1.26 -4.94 135.00 134.77 2qma n PRO 883 Ca 0.01 0.40 -0.01 0.00 -2.02 0.00 0.00 63.50 61.88 2qma n PRO 883 Cb 0.50 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 2qma n PRO 883 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2qma n SER 884 N -0.93 3.36 0.00 2.55 7.64 -1.23 -5.03 113.62 119.98 2qma n SER 884 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2qma n SER 884 Cb 0.47 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.56 2qma n SER 884 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qma n LEU 885 N -2.07 0.00 -0.15 -3.43 0.00 -1.25 -4.87 117.00 105.22 2qma n LEU 885 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 56.01 55.97 2qma n LEU 885 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 43.42 44.00 2qma n LEU 885 CO 0.14 0.00 0.42 -1.54 0.00 0.00 0.00 177.39 176.42 2qma n SER 886 N 0.00 1.30 -4.91 1.96 3.41 -1.26 -4.44 113.62 109.68 2qma n SER 886 Ca 0.00 -2.24 -0.31 0.00 -0.26 0.00 0.00 58.87 56.06 2qma n SER 886 Cb 0.00 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 2qma n SER 886 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qma s THR 887 N -1.28 5.32 -0.06 6.66 -4.23 -1.26 -0.83 115.64 119.96 2qma s THR 887 Ca 0.12 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.40 2qma s THR 887 Cb 0.10 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.32 2qma s THR 887 CO 0.01 0.10 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.36 2qma s VAL 888 N -1.56 1.26 -0.20 2.29 1.01 -0.16 -4.59 120.40 118.46 2qma s VAL 888 Ca 0.37 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 2qma s VAL 888 Cb -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2qma s VAL 888 CO 0.27 0.38 -0.12 -0.76 0.00 0.00 0.00 175.10 174.87 2qma s LEU 889 N 0.45 2.56 0.24 3.92 1.43 -1.26 -1.76 118.68 124.26 2qma s LEU 889 Ca -0.12 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.27 2qma s LEU 889 Cb -0.14 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.49 2qma s LEU 889 CO 0.04 0.00 0.69 0.72 0.23 0.00 0.00 176.35 178.02 2qma s PHE 890 N 1.32 -0.29 0.03 0.29 -0.12 -0.53 -0.15 117.98 118.53 2qma s PHE 890 Ca 0.04 -0.09 -0.03 0.00 -0.05 0.00 0.00 56.93 56.80 2qma s PHE 890 Cb -0.14 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 2qma s PHE 890 CO -0.07 -1.12 0.03 -0.98 -0.05 0.00 0.00 175.22 173.04 2qma s ARG 891 N -3.86 0.47 0.33 1.99 1.70 -0.29 -0.21 118.95 119.07 2qma s ARG 891 Ca 0.08 -0.72 -0.29 0.00 -0.47 0.00 0.00 55.73 54.34 2qma s ARG 891 Cb -0.04 0.18 -0.10 0.00 -0.57 0.00 0.00 34.95 34.41 2qma s ARG 891 CO 0.01 -0.10 1.26 0.00 -1.08 0.00 0.00 175.30 175.39 2qma s ALA 892 N -2.18 3.46 0.20 7.88 0.00 -1.26 -1.02 121.76 128.84 2qma s ALA 892 Ca -0.09 1.18 0.11 0.00 0.00 0.00 0.00 51.96 53.16 2qma s ALA 892 Cb -0.04 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2qma s ALA 892 CO -0.03 -0.55 -0.22 -0.08 0.00 0.00 0.00 175.76 174.88 2qma s THR 893 N -1.16 2.26 -0.20 0.00 -1.32 -0.46 -4.86 115.64 109.91 2qma s THR 893 Ca 0.49 -2.06 -0.26 0.00 -1.21 0.00 0.00 61.69 58.65 2qma s THR 893 Cb -0.38 -2.09 0.07 0.00 -1.51 0.00 0.00 72.50 68.59 2qma s THR 893 CO 0.50 -0.20 0.68 -2.28 -2.21 0.00 0.00 174.62 171.11 2qma s HIS 894 N -1.86 -0.72 -0.03 9.09 5.04 -1.26 -4.77 115.29 120.78 2qma s HIS 894 Ca 0.21 1.63 0.31 0.00 -1.54 0.00 0.00 55.06 55.68 2qma s HIS 894 Cb -0.07 0.29 1.21 0.00 0.04 0.00 0.00 32.58 34.05 2qma s HIS 894 CO 0.10 -0.43 1.91 0.93 -2.34 0.00 0.00 174.74 174.91 2qma h GLU 895 N 4.51 0.00 0.00 2.88 5.08 -2.01 -3.38 114.58 121.67 2qma h GLU 895 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2qma h GLU 895 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2qma h GLU 895 CO 0.16 0.00 -0.64 0.25 -1.00 0.00 0.00 179.01 177.77 2qma n THR 896 N -2.99 0.00 -1.02 1.13 -2.24 -1.26 -5.09 114.28 102.81 2qma n THR 896 Ca 0.01 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 2qma n THR 896 Cb 0.33 -0.53 0.13 0.00 -2.10 0.00 0.00 70.33 68.15 2qma n THR 896 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qma n ALA 897 N -1.69 -0.72 -2.67 6.98 0.00 -1.26 -4.93 120.51 116.22 2qma n ALA 897 Ca 0.00 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 2qma n ALA 897 Cb 0.32 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 2qma n ALA 897 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qma s ASP 898 N -2.09 6.32 0.17 0.00 -1.08 -1.26 -4.85 116.67 113.88 2qma s ASP 898 Ca 0.69 -0.42 -0.05 0.00 -0.52 0.00 0.00 52.55 52.24 2qma s ASP 898 Cb -0.28 -2.44 0.05 0.00 -1.46 0.00 0.00 42.92 38.79 2qma s ASP 898 CO 0.55 -1.27 1.47 -0.07 0.52 0.00 0.00 175.17 176.37 2qma h LEU 899 N 11.07 0.70 -0.26 -1.34 3.38 -1.92 -0.43 115.31 126.51 2qma h LEU 899 Ca -0.26 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.38 2qma h LEU 899 Cb 1.07 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 2qma h LEU 899 CO 1.10 1.12 -0.21 0.44 0.09 0.00 0.00 178.44 180.99 2qma h ASP 900 N 0.47 -0.68 -0.21 -0.43 3.32 -1.92 0.12 116.42 117.09 2qma h ASP 900 Ca 0.00 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.21 2qma h ASP 900 Cb 1.14 0.33 -0.02 0.00 0.22 0.00 0.00 39.33 41.01 2qma h ASP 900 CO 0.11 -0.25 0.07 -0.08 -1.72 0.00 0.00 179.24 177.37 2qma h GLU 901 N -0.20 0.16 -0.13 3.56 4.81 -1.88 -1.88 114.58 119.02 2qma h GLU 901 Ca 0.14 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2qma h GLU 901 Cb 0.42 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2qma h GLU 901 CO -0.38 0.11 -0.05 1.25 -0.73 0.00 0.00 179.01 179.21 2qma h LEU 902 N 0.17 -0.16 -0.57 1.64 5.85 -0.88 -2.21 115.31 119.15 2qma h LEU 902 Ca 0.09 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 2qma h LEU 902 Cb 0.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2qma h LEU 902 CO -0.10 -0.06 -0.62 0.78 -0.34 0.00 0.00 178.44 178.10 2qma h ASN 903 N -0.03 0.39 -0.18 1.25 2.35 -0.66 0.32 115.58 119.03 2qma h ASN 903 Ca 0.07 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2qma h ASN 903 Cb 0.13 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2qma h ASN 903 CO -0.15 0.91 0.09 0.11 -1.65 0.00 0.00 177.43 176.75 2qma h LYS 904 N 0.25 0.25 -0.28 0.81 1.57 -1.35 -1.65 116.57 116.18 2qma h LYS 904 Ca -0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2qma h LYS 904 Cb 1.15 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2qma h LYS 904 CO 0.10 0.27 0.17 0.00 -0.57 0.00 0.00 179.45 179.42 2qma h ALA 905 N 0.97 0.36 -0.32 3.86 0.00 -1.25 -2.46 119.26 120.42 2qma h ALA 905 Ca 0.06 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2qma h ALA 905 Cb 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 2qma h ALA 905 CO -0.01 -0.14 -0.46 1.25 0.00 0.00 0.00 179.25 179.89 2qma h LEU 906 N 0.36 -1.50 -0.11 0.00 6.46 -0.92 0.88 115.31 120.48 2qma h LEU 906 Ca 0.10 0.21 0.02 0.00 -0.12 0.00 0.00 57.88 58.10 2qma h LEU 906 Cb 0.01 0.63 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 2qma h LEU 906 CO -0.02 -0.40 -0.04 -0.09 -0.62 0.00 0.00 178.44 177.27 2qma h ARG 907 N -0.40 -0.02 -0.34 1.25 1.12 -1.18 0.71 114.38 115.52 2qma h ARG 907 Ca 0.10 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.89 2qma h ARG 907 Cb 0.61 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.56 2qma h ARG 907 CO -0.53 -0.01 -0.12 1.25 -3.11 0.00 0.00 179.97 177.45 2qma h LEU 908 N -0.02 0.70 -0.31 3.80 5.85 -1.32 -2.36 115.31 121.65 2qma h LEU 908 Ca 0.06 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2qma h LEU 908 Cb 0.10 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2qma h LEU 908 CO -0.12 0.93 0.13 -0.33 -0.34 0.00 0.00 178.44 178.70 2qma h GLU 909 N 0.47 0.27 -0.55 1.25 4.39 -0.67 -0.23 114.58 119.51 2qma h GLU 909 Ca 0.08 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.77 2qma h GLU 909 Cb 0.64 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 2qma h GLU 909 CO 0.04 0.18 0.36 0.00 -1.16 0.00 0.00 179.01 178.43 2qma h ALA 910 N 1.18 1.61 0.22 3.43 0.00 -0.77 -1.83 119.26 123.10 2qma h ALA 910 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2qma h ALA 910 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qma h ALA 910 CO -0.12 0.36 -0.10 1.25 0.00 0.00 0.00 179.25 180.64 2qma h LEU 911 N 0.74 -0.24 -1.20 0.00 5.85 -1.05 0.12 115.31 119.53 2qma h LEU 911 Ca 0.20 -0.27 0.10 0.00 0.84 0.00 0.00 57.88 58.75 2qma h LEU 911 Cb -0.08 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 2qma h LEU 911 CO -0.04 0.27 0.58 0.74 -0.34 0.00 0.00 178.44 179.64 2qma h THR 912 N -0.90 0.96 0.00 1.05 2.02 -0.85 -1.21 112.91 113.98 2qma h THR 912 Ca -0.03 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2qma h THR 912 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2qma h THR 912 CO 0.05 0.16 -0.30 0.54 0.37 0.00 0.00 175.52 176.34 2qma n ARG 913 N -4.54 0.15 -1.31 6.66 5.12 -0.70 -4.33 116.66 117.71 2qma n ARG 913 Ca 0.15 0.08 -0.04 0.00 -1.93 0.00 0.00 57.85 56.11 2qma n ARG 913 Cb 0.32 -1.63 -0.01 0.00 -1.16 0.00 0.00 32.46 29.98 2qma n ARG 913 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qma n GLY 914 N 1.41 0.57 0.10 -0.13 0.00 -0.46 -4.06 105.19 102.63 2qma n GLY 914 Ca 0.05 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 2qma n GLY 914 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qma h ILE 915 N 0.00 1.45 -2.39 -0.61 2.04 -1.00 -3.31 117.51 113.69 2qma h ILE 915 Ca -0.08 -1.61 -0.06 0.00 1.00 0.00 0.00 64.86 64.11 2qma h ILE 915 Cb 0.41 2.37 -0.18 0.00 -0.74 0.00 0.00 36.82 38.68 2qma h ILE 915 CO 0.11 0.45 0.11 0.00 0.00 0.00 0.00 178.15 178.82 2qma s ALA 916 N -3.70 -1.55 -0.35 1.87 0.00 -0.90 -4.72 121.76 112.40 2qma s ALA 916 Ca -0.15 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 52.71 2qma s ALA 916 Cb 0.03 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.39 2qma s ALA 916 CO 0.74 -0.43 0.12 0.08 0.00 0.00 0.00 175.76 176.27 2qma s VAL 917 N -1.77 3.74 0.08 0.00 1.01 -0.37 -2.77 120.40 120.31 2qma s VAL 917 Ca -0.09 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.70 2qma s VAL 917 Cb -0.01 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2qma s VAL 917 CO 0.04 -0.26 -0.14 -0.76 0.00 0.00 0.00 175.10 173.98 2qma s LEU 918 N 1.37 2.84 0.71 3.92 1.43 -1.26 -1.34 118.68 126.35 2qma s LEU 918 Ca -0.01 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 2qma s LEU 918 Cb -0.20 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2qma s LEU 918 CO 0.02 0.21 1.08 -0.83 0.23 0.00 0.00 176.35 177.06 2qma s GLY 919 N -1.88 1.62 -0.08 -3.19 0.00 0.19 -4.80 107.32 99.19 2qma s GLY 919 Ca 0.18 -0.52 -0.03 0.00 0.00 0.00 0.00 44.72 44.35 2qma s GLY 919 CO 0.10 -0.13 0.17 1.85 0.00 0.00 0.00 173.10 175.08 2qma s GLU 920 N -5.35 0.10 0.06 2.90 2.12 -1.26 -1.39 118.70 115.89 2qma s GLU 920 Ca 0.59 0.43 0.01 0.00 0.36 0.00 0.00 54.97 56.35 2qma s GLU 920 Cb -0.11 -0.18 -0.00 0.00 0.26 0.00 0.00 34.13 34.10 2qma s GLU 920 CO 0.50 -0.19 0.07 0.25 -0.54 0.00 0.00 175.26 175.35 2qma n THR 921 N 4.37 0.00 -4.40 -1.70 -2.24 0.09 -4.99 114.28 105.41 2qma n THR 921 Ca -0.23 -0.41 -0.34 0.00 -2.27 0.00 0.00 64.05 60.80 2qma n THR 921 Cb 0.52 0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.84 2qma n THR 921 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qma s ILE 922 N -2.37 3.66 -0.15 2.28 1.01 -1.26 -0.05 121.20 124.33 2qma s ILE 922 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2qma s ILE 922 Cb 0.00 -2.60 0.03 0.00 0.01 0.00 0.00 42.46 39.90 2qma s ILE 922 CO 0.05 0.49 -0.10 -0.69 0.00 0.00 0.00 174.94 174.68 2qma s VAL 923 N 0.54 1.35 -1.49 2.92 1.01 -0.14 -4.81 120.40 119.78 2qma s VAL 923 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2qma s VAL 923 Cb -0.15 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.88 2qma s VAL 923 CO 0.03 0.33 0.00 -0.67 0.00 0.00 0.00 175.10 174.79 2qma n ASP 924 N 4.83 -4.97 0.00 3.32 -0.08 -1.26 -0.75 116.55 117.63 2qma n ASP 924 Ca -0.14 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 2qma n ASP 924 Cb 0.49 -4.05 0.00 0.00 2.34 0.00 0.00 41.12 39.90 2qma n ASP 924 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qma n GLY 925 N -1.00 0.66 3.36 0.27 0.00 -1.26 -5.05 105.19 102.17 2qma n GLY 925 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2qma n GLY 925 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qma s LYS 926 N -0.17 1.33 0.05 1.61 -2.85 0.07 -5.10 119.74 114.68 2qma s LYS 926 Ca 0.00 -1.30 -0.31 0.00 -1.00 0.00 0.00 55.97 53.36 2qma s LYS 926 Cb 0.00 -1.77 -0.07 0.00 -2.06 0.00 0.00 37.83 33.93 2qma s LYS 926 CO 0.00 0.42 1.47 0.99 0.10 0.00 0.00 175.35 178.32 2qma s THR 927 N -1.09 3.41 -0.04 3.79 2.01 -1.26 -0.97 115.64 121.49 2qma s THR 927 Ca 0.12 0.88 0.06 0.00 0.31 0.00 0.00 61.69 63.06 2qma s THR 927 Cb -0.10 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 2qma s THR 927 CO 0.06 0.02 -0.20 0.00 -0.69 0.00 0.00 174.62 173.80 2qma s ALA 928 N 2.10 2.39 0.59 7.40 0.00 0.93 -4.80 121.76 130.37 2qma s ALA 928 Ca 0.67 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 2qma s ALA 928 Cb -0.35 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 2qma s ALA 928 CO 0.29 0.52 1.02 -0.51 0.00 0.00 0.00 175.76 177.08 2qma s LEU 929 N -0.60 3.34 -0.03 0.00 1.43 0.71 -0.73 118.68 122.80 2qma s LEU 929 Ca 0.09 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 2qma s LEU 929 Cb -0.11 -4.48 0.03 0.00 0.03 0.00 0.00 46.19 41.66 2qma s LEU 929 CO 0.00 -0.80 0.01 -0.75 0.23 0.00 0.00 176.35 175.03 2qma s LYS 930 N -4.85 0.29 -0.13 1.70 2.20 -0.48 -1.45 119.74 117.02 2qma s LYS 930 Ca 0.56 0.10 -0.12 0.00 -0.36 0.00 0.00 55.97 56.15 2qma s LYS 930 Cb -0.11 -0.52 -0.05 0.00 -1.51 0.00 0.00 37.83 35.65 2qma s LYS 930 CO 0.47 -0.16 0.27 -0.06 -0.36 0.00 0.00 175.35 175.51 2qma s PHE 931 N 1.16 3.53 -0.37 4.03 0.08 -0.72 -0.64 117.98 125.05 2qma s PHE 931 Ca -0.08 0.63 -0.03 0.00 0.12 0.00 0.00 56.93 57.57 2qma s PHE 931 Cb -0.13 -2.24 0.09 0.00 -0.57 0.00 0.00 43.02 40.16 2qma s PHE 931 CO -0.02 0.41 0.14 0.99 -0.10 0.00 0.00 175.22 176.63 2qma s THR 932 N -0.09 3.21 -0.30 0.64 2.01 0.74 -0.98 115.64 120.87 2qma s THR 932 Ca 0.17 -1.83 -0.24 0.00 0.31 0.00 0.00 61.69 60.10 2qma s THR 932 Cb -0.13 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.29 2qma s THR 932 CO 0.05 -0.50 0.81 -0.63 -0.69 0.00 0.00 174.62 173.66 2qma s ILE 933 N 1.18 4.77 0.00 1.82 1.01 -0.01 -4.45 121.20 125.53 2qma s ILE 933 Ca 0.04 1.25 0.00 0.00 0.00 0.00 0.00 60.65 61.95 2qma s ILE 933 Cb -0.22 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.09 2qma s ILE 933 CO -0.03 -0.25 0.00 0.18 0.00 0.00 0.00 174.94 174.84 2qma n LEU 934 N 6.24 2.37 -4.66 2.97 4.77 -1.26 -4.81 117.00 122.62 2qma n LEU 934 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 2qma n LEU 934 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 2qma n LEU 934 CO 0.51 0.39 1.51 0.21 -1.33 0.00 0.00 177.39 178.68 2qma s ASN 935 N -3.80 6.49 0.00 -1.43 3.84 -1.26 -4.86 114.94 113.92 2qma s ASN 935 Ca 0.00 2.42 0.07 0.00 0.21 0.00 0.00 52.86 55.57 2qma s ASN 935 Cb 0.00 -2.53 0.23 0.00 -0.55 0.00 0.00 41.25 38.40 2qma s ASN 935 CO 0.00 -1.05 1.18 -0.81 -2.79 0.00 0.00 177.10 173.64 2qma n PRO 936 N 7.43 1.47 -0.21 0.43 -0.04 -1.26 -3.90 135.00 138.93 2qma n PRO 936 Ca 0.19 -0.73 0.06 0.00 -0.04 0.00 0.00 63.50 62.98 2qma n PRO 936 Cb 0.42 -1.17 0.15 0.00 -0.04 0.00 0.00 33.50 32.86 2qma n PRO 936 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qma s LEU 938 N -1.81 3.96 0.41 0.00 1.43 -1.25 -5.09 118.68 116.34 2qma s LEU 938 Ca 0.26 1.33 0.07 0.00 -1.03 0.00 0.00 54.13 54.75 2qma s LEU 938 Cb 0.19 -4.16 -0.07 0.00 0.03 0.00 0.00 46.19 42.18 2qma s LEU 938 CO 0.09 -0.30 0.09 0.42 0.23 0.00 0.00 176.35 176.89 2qma s THR 939 N -2.14 2.13 0.37 5.49 -4.23 -1.26 -5.02 115.64 110.97 2qma s THR 939 Ca 0.55 -1.85 0.08 0.00 -1.18 0.00 0.00 61.69 59.29 2qma s THR 939 Cb -0.10 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 70.91 2qma s THR 939 CO 0.21 0.00 1.89 0.71 -0.54 0.00 0.00 174.62 176.88 2qma h THR 940 N 1.59 1.19 -0.16 3.99 1.35 -2.00 -1.94 112.91 116.94 2qma h THR 940 Ca -0.43 -0.84 -0.04 0.00 -0.55 0.00 0.00 66.41 64.55 2qma h THR 940 Cb 1.25 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 2qma h THR 940 CO 0.76 0.27 -0.07 0.77 -0.25 0.00 0.00 175.52 176.99 2qma h SER 941 N 0.29 0.22 -0.22 5.36 4.64 -1.98 0.38 113.55 122.24 2qma h SER 941 Ca 0.06 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2qma h SER 941 Cb 0.40 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2qma h SER 941 CO 0.02 0.33 0.14 0.44 -0.87 0.00 0.00 176.83 176.88 2qma h ASP 942 N 0.23 0.23 -0.47 4.97 3.32 -1.75 0.15 116.42 123.10 2qma h ASP 942 Ca 0.05 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 2qma h ASP 942 Cb 0.28 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2qma h ASP 942 CO 0.01 0.17 0.07 -0.26 -1.72 0.00 0.00 179.24 177.51 2qma h PHE 943 N 0.28 0.84 -0.16 4.55 0.04 -1.23 0.23 116.94 121.50 2qma h PHE 943 Ca 0.08 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.77 2qma h PHE 943 Cb -0.02 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 37.86 2qma h PHE 943 CO -0.07 0.78 -0.08 1.49 -0.60 0.00 0.00 178.31 179.83 2qma h GLU 944 N 0.66 -0.06 -0.51 1.51 4.81 -0.82 0.84 114.58 121.00 2qma h GLU 944 Ca 0.14 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2qma h GLU 944 Cb 0.39 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2qma h GLU 944 CO 0.01 -0.04 0.31 1.03 -0.73 0.00 0.00 179.01 179.59 2qma h SER 945 N -0.06 0.49 -0.07 1.04 0.87 -0.70 -1.98 113.55 113.15 2qma h SER 945 Ca 0.09 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2qma h SER 945 Cb 0.19 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2qma h SER 945 CO -0.20 0.35 0.04 0.25 -0.53 0.00 0.00 176.83 176.74 2qma h LEU 946 N 0.61 0.08 -1.36 2.23 5.85 -0.13 -1.18 115.31 121.40 2qma h LEU 946 Ca 0.21 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.94 2qma h LEU 946 Cb 0.03 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2qma h LEU 946 CO -0.10 0.12 0.50 -0.07 -0.34 0.00 0.00 178.44 178.55 2qma h LEU 947 N 0.03 0.66 -0.13 2.25 3.38 -0.70 -1.80 115.31 119.02 2qma h LEU 947 Ca 0.02 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2qma h LEU 947 Cb 0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2qma h LEU 947 CO -0.00 0.42 -0.12 -1.28 0.09 0.00 0.00 178.44 177.54 2qma h SER 948 N 0.75 0.32 -0.81 -0.43 0.87 -0.89 -0.72 113.55 112.65 2qma h SER 948 Ca 0.34 -0.47 0.15 0.00 -1.23 0.00 0.00 61.79 60.57 2qma h SER 948 Cb 0.34 -0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 62.11 2qma h SER 948 CO -0.12 0.73 0.37 0.11 -0.53 0.00 0.00 176.83 177.39 2qma h LYS 949 N -0.08 0.50 -0.28 2.24 1.57 -0.90 -1.70 116.57 117.91 2qma h LYS 949 Ca 0.02 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2qma h LYS 949 Cb 0.63 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2qma h LYS 949 CO 0.03 0.33 -0.26 0.82 -0.57 0.00 0.00 179.45 179.79 2qma h ILE 950 N 0.51 1.30 0.00 1.86 2.04 -1.19 -2.57 117.51 119.47 2qma h ILE 950 Ca 0.45 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2qma h ILE 950 Cb 0.69 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2qma h ILE 950 CO -0.40 0.45 0.00 -3.20 0.00 0.00 0.00 178.15 175.00 2qma n ASN 951 N -4.30 0.77 0.00 1.72 5.15 -0.29 -1.38 115.26 116.93 2qma n ASN 951 Ca -0.04 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.32 2qma n ASN 951 Cb 0.45 -0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 2qma n ASN 951 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2qma n LEU 953 N 1.09 0.00 -0.29 1.20 4.77 -0.97 -0.97 117.00 121.83 2qma n LEU 953 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2qma n LEU 953 Cb 0.11 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.31 2qma n LEU 953 CO 0.00 0.00 1.17 0.00 -1.33 0.00 0.00 177.39 177.23 2qma h ALA 954 N 0.00 1.07 -0.67 -1.18 0.00 -1.51 -1.76 119.26 115.22 2qma h ALA 954 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2qma h ALA 954 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2qma h ALA 954 CO 0.00 0.26 0.44 0.28 0.00 0.00 0.00 179.25 180.23 2qma h VAL 955 N 0.93 1.02 0.00 0.00 2.07 -1.33 -1.63 116.25 117.31 2qma h VAL 955 Ca 0.34 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2qma h VAL 955 Cb 0.10 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2qma h VAL 955 CO -0.15 0.13 -0.15 -0.33 0.02 0.00 0.00 177.57 177.09 2qma h GLU 956 N 0.69 0.00 -0.02 1.57 4.39 -1.61 -3.55 114.58 116.05 2qma h GLU 956 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2qma h GLU 956 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2qma h GLU 956 CO -0.09 0.08 0.00 1.28 -1.16 0.00 0.00 179.01 179.12