#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxl h GLU 476 N 0.00 0.72 0.00 1.64 4.22 -2.06 -2.43 114.58 116.67 1gxl h GLU 476 Ca 0.00 -0.59 0.00 0.00 0.08 0.00 0.00 59.36 58.85 1gxl h GLU 476 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1gxl h GLU 476 CO 0.00 1.20 0.00 0.87 -2.18 0.00 0.00 179.01 178.90 1gxl h LYS 477 N 0.41 0.00 -0.59 1.92 1.79 -2.05 0.24 116.57 118.29 1gxl h LYS 477 Ca -0.05 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 1gxl h LYS 477 Cb 1.33 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.96 1gxl h LYS 477 CO 0.14 0.00 -0.01 -0.09 -1.08 0.00 0.00 179.45 178.42 1gxl h ARG 478 N 0.00 1.05 0.05 3.15 9.65 -1.87 -0.90 114.38 125.51 1gxl h ARG 478 Ca 0.00 -0.33 -0.20 0.00 -1.10 0.00 0.00 59.98 58.35 1gxl h ARG 478 Cb 0.02 -0.10 0.02 0.00 -1.39 0.00 0.00 29.97 28.52 1gxl h ARG 478 CO 0.00 1.03 -0.82 -0.07 2.80 0.00 0.00 179.97 182.91 1gxl h LEU 479 N 0.95 0.64 -1.29 3.80 4.07 -0.63 -2.21 115.31 120.64 1gxl h LEU 479 Ca 0.17 -0.80 0.25 0.00 0.08 0.00 0.00 57.88 57.58 1gxl h LEU 479 Cb 0.56 -0.20 -0.10 0.00 1.08 0.00 0.00 40.66 42.01 1gxl h LEU 479 CO 0.03 1.37 0.65 -0.09 -1.08 0.00 0.00 178.44 179.32 1gxl h ARG 480 N -0.01 0.44 0.02 1.13 9.65 -1.29 0.66 114.38 124.98 1gxl h ARG 480 Ca -0.12 -0.03 -0.21 0.00 -1.10 0.00 0.00 59.98 58.52 1gxl h ARG 480 Cb 1.54 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 30.00 1gxl h ARG 480 CO 0.16 0.29 -1.00 0.93 2.80 0.00 0.00 179.97 183.15 1gxl h GLU 481 N 0.45 0.06 0.32 0.20 5.08 -1.10 -3.08 114.58 116.51 1gxl h GLU 481 Ca 0.59 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.84 1gxl h GLU 481 Cb 1.39 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1gxl h GLU 481 CO -0.32 1.01 -0.15 0.82 -1.00 0.00 0.00 179.01 179.36 1gxl h ILE 482 N 0.02 0.11 -0.88 3.13 1.08 0.68 -3.33 117.51 118.32 1gxl h ILE 482 Ca -0.03 -0.73 0.16 0.00 -0.39 0.00 0.00 64.86 63.87 1gxl h ILE 482 Cb 1.73 0.18 -0.16 0.00 -3.07 0.00 0.00 36.82 35.51 1gxl h ILE 482 CO 0.14 0.03 -0.29 -0.61 -0.69 0.00 0.00 178.15 176.72 1gxl h GLN 483 N -1.09 -0.03 -1.79 2.37 5.75 -0.25 0.14 115.11 120.21 1gxl h GLN 483 Ca -0.04 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1gxl h GLN 483 Cb 0.37 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1gxl h GLN 483 CO 0.07 -0.02 0.00 1.19 -2.65 0.00 0.00 178.83 177.42 1gxl n PHE 484 N -5.52 0.00 0.00 3.99 3.01 -1.16 -2.55 117.46 115.23 1gxl n PHE 484 Ca 0.11 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1gxl n PHE 484 Cb 0.42 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1gxl n PHE 484 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1gxl n GLU 485 N 0.90 0.00 0.00 -1.08 0.28 -0.45 -4.44 120.64 115.85 1gxl n GLU 485 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1gxl n GLU 485 Cb 0.10 0.00 0.19 0.00 1.43 0.00 0.00 31.44 33.16 1gxl n GLU 485 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1gxl n LYS 486 N -0.57 0.11 0.00 3.44 0.00 0.35 -1.88 118.16 119.61 1gxl n LYS 486 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 58.31 58.53 1gxl n LYS 486 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1gxl n LYS 486 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1gxl n GLU 487 N -1.29 1.53 0.07 1.64 0.28 -1.10 -4.53 120.64 117.24 1gxl n GLU 487 Ca 0.04 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.11 1gxl n GLU 487 Cb 0.06 -0.45 0.35 0.00 1.43 0.00 0.00 31.44 32.83 1gxl n GLU 487 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1gxl n MET 488 N -0.36 0.08 -0.07 3.44 0.00 -1.16 -0.93 117.12 118.12 1gxl n MET 488 Ca 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 57.70 58.00 1gxl n MET 488 Cb 0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 33.22 31.37 1gxl n MET 488 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 1gxl n ILE 489 N -1.87 1.54 0.25 3.17 0.13 -0.79 -4.00 119.36 117.79 1gxl n ILE 489 Ca 0.01 -0.71 0.18 0.00 -1.10 0.00 0.00 62.75 61.13 1gxl n ILE 489 Cb 0.11 -1.14 0.84 0.00 -0.84 0.00 0.00 39.64 38.61 1gxl n ILE 489 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1gxl h GLU 490 N 0.02 0.00 0.36 9.51 5.08 -1.24 -0.91 114.58 127.40 1gxl h GLU 490 Ca -0.49 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1gxl h GLU 490 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1gxl h GLU 490 CO 0.01 0.00 -0.17 -0.09 -1.00 0.00 0.00 179.01 177.76 1gxl h ARG 491 N 0.00 -0.47 -1.03 2.33 2.43 -1.60 -0.08 114.38 115.96 1gxl h ARG 491 Ca 0.06 0.03 0.29 0.00 -0.81 0.00 0.00 59.98 59.55 1gxl h ARG 491 Cb 0.67 0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 30.20 1gxl h ARG 491 CO -0.00 -0.31 0.62 -0.44 -1.51 0.00 0.00 179.97 178.33 1gxl h ASP 492 N -0.95 0.55 0.46 -3.80 5.19 -1.36 -0.35 116.42 116.17 1gxl h ASP 492 Ca -0.05 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 1gxl h ASP 492 Cb 0.37 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1gxl h ASP 492 CO 0.08 0.00 -0.22 0.24 -3.12 0.00 0.00 179.24 176.22 1gxl h MET 493 N 0.43 -0.60 -1.04 3.56 2.86 -1.29 0.25 114.93 119.10 1gxl h MET 493 Ca 0.68 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.36 1gxl h MET 493 Cb 1.52 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.32 1gxl h MET 493 CO -0.48 -0.32 0.00 -2.13 1.06 0.00 0.00 176.91 175.04 1gxl n ARG 494 N -5.29 0.96 0.00 1.72 3.00 -0.05 -2.02 116.66 114.98 1gxl n ARG 494 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 1gxl n ARG 494 Cb 0.30 -1.03 0.00 0.00 0.00 0.00 0.00 32.46 31.73 1gxl n ARG 494 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1gxl n GLU 495 N 0.51 0.00 -3.35 -0.14 2.13 -0.67 -4.97 120.64 114.16 1gxl n GLU 495 Ca 0.00 -0.01 -0.36 0.00 0.66 0.00 0.00 57.16 57.45 1gxl n GLU 495 Cb 0.48 -0.09 0.03 0.00 0.27 0.00 0.00 31.44 32.13 1gxl n GLU 495 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1gxl n TYR 496 N 0.00 -2.43 0.07 4.31 4.02 0.80 -4.91 117.16 119.03 1gxl n TYR 496 Ca 0.00 1.02 -0.14 0.00 -0.01 0.00 0.00 57.90 58.77 1gxl n TYR 496 Cb 0.28 -1.67 -0.14 0.00 -0.02 0.00 0.00 39.34 37.79 1gxl n TYR 496 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1gxl h ARG 497 N 1.77 0.19 0.00 -0.72 2.43 -1.62 -3.31 114.38 113.12 1gxl h ARG 497 Ca -0.54 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.30 1gxl h ARG 497 Cb 1.30 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1gxl h ARG 497 CO 0.22 1.09 0.00 0.41 -1.51 0.00 0.00 179.97 180.18 1gxl n GLY 498 N 1.55 -1.38 3.92 2.80 0.00 -1.26 -4.88 105.19 105.93 1gxl n GLY 498 Ca -0.10 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1gxl n GLY 498 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gxl s PHE 499 N -3.07 3.45 0.70 1.61 0.40 -1.25 -5.06 117.98 114.77 1gxl s PHE 499 Ca 0.10 0.61 -0.16 0.00 -0.60 0.00 0.00 56.93 56.88 1gxl s PHE 499 Cb 0.14 -2.29 0.01 0.00 0.51 0.00 0.00 43.02 41.38 1gxl s PHE 499 CO 0.46 -0.30 1.07 -1.13 0.70 0.00 0.00 175.22 176.02 1gxl n SER 500 N -2.19 0.95 -0.30 1.36 3.41 -1.26 -4.74 113.62 110.85 1gxl n SER 500 Ca 0.00 0.71 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 1gxl n SER 500 Cb 0.56 -1.45 0.22 0.00 -0.26 0.00 0.00 64.21 63.27 1gxl n SER 500 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1gxl h ARG 501 N -0.09 0.07 0.71 4.33 2.47 -1.97 0.03 114.38 119.94 1gxl h ARG 501 Ca -0.48 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.20 1gxl h ARG 501 Cb 1.33 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1gxl h ARG 501 CO 0.49 0.05 -0.39 0.00 0.56 0.00 0.00 179.97 180.67 1gxl h ALA 502 N 1.84 -1.04 -0.91 0.04 0.00 -1.86 0.21 119.26 117.54 1gxl h ALA 502 Ca 0.50 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.37 1gxl h ALA 502 Cb 0.94 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1gxl h ALA 502 CO -0.78 -1.10 0.59 0.28 0.00 0.00 0.00 179.25 178.24 1gxl h VAL 503 N -1.03 0.74 0.21 0.00 2.07 -1.35 -1.09 116.25 115.81 1gxl h VAL 503 Ca -0.09 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1gxl h VAL 503 Cb 0.81 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1gxl h VAL 503 CO 0.12 0.10 -0.10 0.03 0.02 0.00 0.00 177.57 177.74 1gxl h ARG 504 N 0.56 -0.28 -0.82 1.57 3.08 -0.73 -2.62 114.38 115.15 1gxl h ARG 504 Ca 0.48 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.71 1gxl h ARG 504 Cb 0.97 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.97 1gxl h ARG 504 CO -0.22 0.06 0.34 0.00 -1.07 0.00 0.00 179.97 179.08 1gxl h ALA 505 N 0.03 1.21 -0.55 0.04 0.00 0.22 0.94 119.26 121.15 1gxl h ALA 505 Ca -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1gxl h ALA 505 Cb 0.46 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1gxl h ALA 505 CO 0.05 -0.24 0.26 0.28 0.00 0.00 0.00 179.25 179.60 1gxl h VAL 506 N 0.45 1.18 0.00 0.00 2.07 -1.17 -3.01 116.25 115.77 1gxl h VAL 506 Ca 0.47 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1gxl h VAL 506 Cb 0.78 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1gxl h VAL 506 CO -0.45 0.21 -0.42 -0.26 0.02 0.00 0.00 177.57 176.67 1gxl h PHE 507 N 0.77 0.00 -0.04 1.57 -1.00 -0.45 -2.86 116.94 114.93 1gxl h PHE 507 Ca 0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1gxl h PHE 507 Cb 0.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1gxl h PHE 507 CO 0.01 0.19 0.00 -0.85 -1.61 0.00 0.00 178.31 176.05 1gxl n GLU 508 N -3.05 1.32 -0.07 1.51 0.28 -0.77 -2.44 120.64 117.41 1gxl n GLU 508 Ca 0.02 -0.48 0.04 0.00 -0.16 0.00 0.00 57.16 56.58 1gxl n GLU 508 Cb 0.62 -1.42 0.05 0.00 1.43 0.00 0.00 31.44 32.12 1gxl n GLU 508 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1gxl n GLU 509 N -0.37 1.76 0.13 3.44 -0.58 -1.18 -4.82 120.64 119.02 1gxl n GLU 509 Ca 0.19 -1.76 0.03 0.00 -0.42 0.00 0.00 57.16 55.19 1gxl n GLU 509 Cb 0.21 -1.09 0.16 0.00 -0.57 0.00 0.00 31.44 30.14 1gxl n GLU 509 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1gxl n LYS 510 N -0.76 0.04 0.02 3.49 2.85 -1.02 -0.09 118.16 122.68 1gxl n LYS 510 Ca 0.06 0.45 -0.17 0.00 -1.05 0.00 0.00 58.31 57.59 1gxl n LYS 510 Cb 0.47 -2.10 -0.07 0.00 -0.65 0.00 0.00 35.03 32.67 1gxl n LYS 510 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1gxl h GLU 511 N 0.00 0.69 0.00 -1.58 9.09 -1.87 -3.02 114.58 117.89 1gxl h GLU 511 Ca 0.00 -0.64 0.00 0.00 0.05 0.00 0.00 59.36 58.77 1gxl h GLU 511 Cb 0.93 0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1gxl h GLU 511 CO 0.00 1.24 0.01 0.00 0.05 0.00 0.00 179.01 180.31 1gxl h ARG 512 N 0.44 0.00 -2.17 1.06 3.08 -0.89 -3.25 114.38 112.64 1gxl h ARG 512 Ca -0.08 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.38 1gxl h ARG 512 Cb 1.53 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.16 1gxl h ARG 512 CO 0.17 0.00 -0.70 1.19 -1.07 0.00 0.00 179.97 179.56 1gxl n PHE 513 N -2.43 3.01 -0.20 3.04 3.01 -1.14 -4.92 117.46 117.83 1gxl n PHE 513 Ca -0.02 -4.03 0.30 0.00 1.01 0.00 0.00 57.45 54.71 1gxl n PHE 513 Cb 0.05 -0.51 0.73 0.00 -0.01 0.00 0.00 39.48 39.74 1gxl n PHE 513 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1gxl h PRO 514 N 3.87 0.00 0.00 -1.08 0.13 -1.73 0.33 132.00 133.52 1gxl h PRO 514 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1gxl h PRO 514 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1gxl h PRO 514 CO 0.77 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 1gxl n GLY 515 N -1.71 -1.00 3.77 1.56 0.00 -1.26 -4.85 105.19 101.69 1gxl n GLY 515 Ca 0.20 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1gxl n GLY 515 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gxl s LEU 516 N -2.32 4.14 0.00 0.99 2.96 0.12 -0.70 118.68 123.86 1gxl s LEU 516 Ca 0.31 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.88 1gxl s LEU 516 Cb 0.18 -3.99 0.00 0.00 0.50 0.00 0.00 46.19 42.88 1gxl s LEU 516 CO 0.35 -0.98 0.00 0.52 -1.32 0.00 0.00 176.35 174.93 1gxl n VAL 517 N -0.11 0.00 -3.87 1.68 0.31 -0.54 -4.85 118.33 110.95 1gxl n VAL 517 Ca 0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.31 1gxl n VAL 517 Cb 0.44 -0.06 -0.02 0.00 -0.91 0.00 0.00 33.84 33.29 1gxl n VAL 517 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1gxl s ASP 518 N 0.48 -0.20 0.45 4.52 -1.08 -1.20 -5.00 116.67 114.64 1gxl s ASP 518 Ca 0.00 -0.71 -0.21 0.00 -0.52 0.00 0.00 52.55 51.11 1gxl s ASP 518 Cb 0.00 0.73 -0.09 0.00 -1.46 0.00 0.00 42.92 42.10 1gxl s ASP 518 CO 0.00 -1.38 1.01 0.68 0.52 0.00 0.00 175.17 176.00 1gxl s VAL 519 N -3.71 3.97 0.24 1.11 -7.23 -1.26 -1.35 120.40 112.17 1gxl s VAL 519 Ca 0.13 1.29 -0.09 0.00 -1.81 0.00 0.00 61.98 61.49 1gxl s VAL 519 Cb -0.05 -3.55 0.31 0.00 0.56 0.00 0.00 36.38 33.65 1gxl s VAL 519 CO 0.08 -0.21 1.61 0.58 -0.31 0.00 0.00 175.10 176.85 1gxl h VAL 520 N 1.80 0.25 0.00 1.32 2.07 -1.18 -1.34 116.25 119.17 1gxl h VAL 520 Ca -0.49 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1gxl h VAL 520 Cb 1.21 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1gxl h VAL 520 CO 0.60 0.01 0.07 -1.54 0.02 0.00 0.00 177.57 176.73 1gxl n SER 521 N -5.46 0.02 -0.40 0.57 3.41 -0.77 -0.96 113.62 110.03 1gxl n SER 521 Ca 0.13 0.44 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 1gxl n SER 521 Cb 0.45 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1gxl n SER 521 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1gxl n ASN 522 N -1.46 1.75 -0.20 4.04 3.02 -0.51 -4.40 115.26 117.52 1gxl n ASN 522 Ca -0.00 -1.38 0.03 0.00 -0.03 0.00 0.00 54.58 53.21 1gxl n ASN 522 Cb 0.07 0.51 0.01 0.00 -0.61 0.00 0.00 39.78 39.76 1gxl n ASN 522 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gxl n LEU 523 N -0.16 1.20 -4.73 3.41 4.32 -0.14 -5.00 117.00 115.90 1gxl n LEU 523 Ca 0.08 -0.86 -0.35 0.00 -0.02 0.00 0.00 56.01 54.86 1gxl n LEU 523 Cb 0.39 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.11 1gxl n LEU 523 CO 0.25 0.25 -0.23 -0.63 -1.22 0.00 0.00 177.39 175.81 1gxl s ILE 524 N -0.86 5.02 -0.43 -0.08 1.01 -1.11 -4.76 121.20 119.99 1gxl s ILE 524 Ca 0.06 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.65 1gxl s ILE 524 Cb 0.05 -3.22 0.08 0.00 0.01 0.00 0.00 42.46 39.39 1gxl s ILE 524 CO 0.13 0.53 0.29 -0.70 0.00 0.00 0.00 174.94 175.19 1gxl s GLU 525 N -0.24 2.64 0.12 2.79 2.56 -1.13 -4.98 118.70 120.46 1gxl s GLU 525 Ca 0.09 -1.48 0.10 0.00 0.00 0.00 0.00 54.97 53.68 1gxl s GLU 525 Cb -0.12 -3.84 -0.04 0.00 2.00 0.00 0.00 34.13 32.13 1gxl s GLU 525 CO 0.01 -0.99 -0.26 0.54 -0.56 0.00 0.00 175.26 174.01 1gxl s VAL 526 N 1.45 2.14 0.04 3.70 0.11 -1.26 -1.46 120.40 125.11 1gxl s VAL 526 Ca 0.03 -1.69 -0.30 0.00 -2.93 0.00 0.00 61.98 57.09 1gxl s VAL 526 Cb -0.24 -1.90 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 1gxl s VAL 526 CO 0.02 0.07 1.06 -0.62 -3.33 0.00 0.00 175.10 172.30 1gxl s ASP 527 N -1.98 7.28 0.27 3.54 -1.08 -1.26 -4.83 116.67 118.61 1gxl s ASP 527 Ca 0.12 1.81 0.21 0.00 -0.52 0.00 0.00 52.55 54.17 1gxl s ASP 527 Cb -0.10 -2.58 0.72 0.00 -1.46 0.00 0.00 42.92 39.50 1gxl s ASP 527 CO 0.05 -0.31 0.71 1.21 0.52 0.00 0.00 175.17 177.35 1gxl n GLU 528 N 3.75 0.00 0.00 4.34 0.00 -1.26 -1.98 120.64 125.49 1gxl n GLU 528 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 57.16 57.74 1gxl n GLU 528 Cb 0.49 -1.21 0.00 0.00 0.00 0.00 0.00 31.44 30.72 1gxl n GLU 528 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1gxl n LYS 529 N -2.72 0.00 0.00 5.31 5.02 -1.26 -3.55 118.16 120.96 1gxl n LYS 529 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1gxl n LYS 529 Cb 0.91 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.90 1gxl n LYS 529 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1gxl n TYR 530 N 0.00 0.00 -0.27 2.13 4.02 -0.84 -3.89 117.16 118.31 1gxl n TYR 530 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 1gxl n TYR 530 Cb 0.00 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.25 1gxl n TYR 530 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1gxl n SER 531 N 0.39 -0.68 0.29 7.72 2.88 -0.96 0.18 113.62 123.43 1gxl n SER 531 Ca 0.00 1.50 0.19 0.00 -1.33 0.00 0.00 58.87 59.23 1gxl n SER 531 Cb 0.00 -0.32 1.00 0.00 -0.75 0.00 0.00 64.21 64.14 1gxl n SER 531 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1gxl h LEU 532 N 0.00 0.00 0.00 2.46 6.46 -1.86 -3.17 115.31 119.21 1gxl h LEU 532 Ca 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1gxl h LEU 532 Cb 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1gxl h LEU 532 CO -0.61 0.00 0.00 0.00 -0.62 0.00 0.00 178.44 177.21 1gxl n ALA 533 N -2.00 0.00 -0.27 1.25 0.00 0.47 -3.54 120.51 116.43 1gxl n ALA 533 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1gxl n ALA 533 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 1gxl n ALA 533 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gxl n VAL 534 N -0.38 -0.41 -0.19 0.00 0.31 -1.06 -0.54 118.33 116.06 1gxl n VAL 534 Ca 0.00 1.57 0.03 0.00 -0.01 0.00 0.00 64.34 65.93 1gxl n VAL 534 Cb 0.00 -1.99 0.08 0.00 -0.91 0.00 0.00 33.84 31.02 1gxl n VAL 534 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1gxl n SER 535 N -4.88 -0.18 -0.19 4.52 2.88 -1.20 0.21 113.62 114.77 1gxl n SER 535 Ca 0.04 0.91 -0.10 0.00 -1.33 0.00 0.00 58.87 58.39 1gxl n SER 535 Cb 0.21 -0.28 0.02 0.00 -0.75 0.00 0.00 64.21 63.41 1gxl n SER 535 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1gxl h VAL 536 N 0.00 1.27 0.00 2.46 -1.51 -0.86 -2.19 116.25 115.41 1gxl h VAL 536 Ca 0.26 -1.22 -0.02 0.00 -1.23 0.00 0.00 66.70 64.49 1gxl h VAL 536 Cb 0.40 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1gxl h VAL 536 CO -0.54 0.43 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.07 1gxl h LEU 537 N 0.92 0.00 0.02 4.19 4.07 0.24 -3.13 115.31 121.62 1gxl h LEU 537 Ca 0.15 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.04 1gxl h LEU 537 Cb 0.63 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 1gxl h LEU 537 CO 0.04 0.09 -0.36 -0.07 -1.08 0.00 0.00 178.44 177.07 1gxl h LEU 538 N 0.00 0.07 0.00 1.67 3.38 -0.78 -3.50 115.31 116.15 1gxl h LEU 538 Ca -0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1gxl h LEU 538 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1gxl h LEU 538 CO 0.01 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.30 1gxl n GLY 539 N 1.59 -0.86 0.00 0.83 0.00 -0.87 -2.61 105.19 103.27 1gxl n GLY 539 Ca -0.15 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1gxl n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gxl n GLY 540 N 0.00 -0.08 0.08 -0.02 0.00 -1.26 -1.34 105.19 102.57 1gxl n GLY 540 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1gxl n GLY 540 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1gxl n THR 541 N -0.92 1.20 -0.37 2.61 -1.04 -1.07 -2.17 114.28 112.52 1gxl n THR 541 Ca 0.00 0.43 0.03 0.00 -2.04 0.00 0.00 64.05 62.47 1gxl n THR 541 Cb 0.09 -1.36 0.18 0.00 -1.82 0.00 0.00 70.33 67.42 1gxl n THR 541 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gxl h ALA 542 N 2.19 1.41 -0.88 2.41 0.00 -1.44 -2.44 119.26 120.50 1gxl h ALA 542 Ca 0.00 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.35 1gxl h ALA 542 Cb 0.16 -0.31 -0.28 0.00 0.00 0.00 0.00 17.79 17.35 1gxl h ALA 542 CO 0.00 0.44 0.49 0.00 0.00 0.00 0.00 179.25 180.18 1gxl n GLN 543 N -4.50 2.51 -2.95 0.00 10.64 -0.92 -1.86 117.38 120.30 1gxl n GLN 543 Ca 0.16 -3.27 -0.37 0.00 -1.83 0.00 0.00 57.00 51.68 1gxl n GLN 543 Cb 0.19 -2.18 -0.06 0.00 -0.86 0.00 0.00 30.24 27.32 1gxl n GLN 543 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1gxl s ASN 544 N -1.94 7.24 -0.24 2.61 0.02 -0.92 -4.70 114.94 117.01 1gxl s ASN 544 Ca 0.58 1.63 -0.15 0.00 -1.02 0.00 0.00 52.86 53.89 1gxl s ASN 544 Cb 0.47 -2.50 -0.04 0.00 0.02 0.00 0.00 41.25 39.21 1gxl s ASN 544 CO 0.04 0.04 0.38 -0.63 0.02 0.00 0.00 177.10 176.95 1gxl s ILE 545 N -1.47 5.19 -0.03 0.60 1.09 -0.13 -1.83 121.20 124.61 1gxl s ILE 545 Ca 0.44 0.63 -0.23 0.00 -1.10 0.00 0.00 60.65 60.39 1gxl s ILE 545 Cb -0.19 -3.71 -0.04 0.00 -1.06 0.00 0.00 42.46 37.46 1gxl s ILE 545 CO 0.23 0.20 0.69 -0.69 -0.10 0.00 0.00 174.94 175.27 1gxl s VAL 546 N 1.73 4.96 0.17 2.92 1.01 -0.46 -0.63 120.40 130.10 1gxl s VAL 546 Ca 0.17 1.43 0.05 0.00 0.00 0.00 0.00 61.98 63.62 1gxl s VAL 546 Cb -0.15 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1gxl s VAL 546 CO 0.09 0.31 -0.09 0.68 0.00 0.00 0.00 175.10 176.09 1gxl s VAL 547 N 0.42 1.20 0.07 2.92 -7.23 -0.98 -1.47 120.40 115.33 1gxl s VAL 547 Ca 0.36 -2.07 -0.17 0.00 -1.81 0.00 0.00 61.98 58.28 1gxl s VAL 547 Cb -0.18 -1.98 -0.12 0.00 0.56 0.00 0.00 36.38 34.66 1gxl s VAL 547 CO 0.19 -0.64 1.37 0.03 -0.31 0.00 0.00 175.10 175.74 1gxl h ARG 548 N 2.69 0.54 -4.26 4.82 2.47 -1.23 -0.62 114.38 118.79 1gxl h ARG 548 Ca -0.37 -0.29 -0.16 0.00 -1.26 0.00 0.00 59.98 57.89 1gxl h ARG 548 Cb 1.20 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 29.40 1gxl h ARG 548 CO 0.64 0.88 -0.52 0.54 0.56 0.00 0.00 179.97 182.07 1gxl s ASN 549 N -6.37 0.18 0.43 7.04 2.20 -1.26 -3.28 114.94 113.89 1gxl s ASN 549 Ca -0.13 -1.13 0.12 0.00 -0.94 0.00 0.00 52.86 50.78 1gxl s ASN 549 Cb 0.07 0.36 0.99 0.00 -2.00 0.00 0.00 41.25 40.67 1gxl s ASN 549 CO 0.80 -0.82 2.02 0.58 -2.94 0.00 0.00 177.10 176.74 1gxl h VAL 550 N 2.70 0.98 -0.51 3.54 2.07 -1.92 -2.47 116.25 120.64 1gxl h VAL 550 Ca -0.34 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1gxl h VAL 550 Cb 1.22 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1gxl h VAL 550 CO 0.54 0.08 0.21 0.44 0.02 0.00 0.00 177.57 178.86 1gxl h ASP 551 N 0.43 0.69 -0.71 0.57 5.19 -1.99 0.33 116.42 120.94 1gxl h ASP 551 Ca 0.21 -0.16 0.05 0.00 -0.62 0.00 0.00 57.03 56.51 1gxl h ASP 551 Cb 0.28 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.57 1gxl h ASP 551 CO -0.05 0.66 0.47 0.74 -3.12 0.00 0.00 179.24 177.94 1gxl h THR 552 N 0.68 1.07 0.27 0.35 2.02 -1.84 0.19 112.91 115.64 1gxl h THR 552 Ca 0.17 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1gxl h THR 552 Cb 0.18 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1gxl h THR 552 CO -0.02 0.15 -0.13 0.00 0.37 0.00 0.00 175.52 175.89 1gxl h ALA 553 N 1.60 -0.36 -0.93 6.16 0.00 -1.14 -1.49 119.26 123.10 1gxl h ALA 553 Ca 0.29 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1gxl h ALA 553 Cb 0.15 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1gxl h ALA 553 CO -0.09 -0.62 0.58 0.87 0.00 0.00 0.00 179.25 179.99 1gxl h LYS 554 N -0.52 1.00 -0.26 0.00 1.57 -0.06 0.15 116.57 118.45 1gxl h LYS 554 Ca -0.04 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1gxl h LYS 554 Cb 0.39 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1gxl h LYS 554 CO 0.06 0.66 0.06 0.00 -0.57 0.00 0.00 179.45 179.66 1gxl h ALA 555 N 1.45 0.27 -0.06 3.86 0.00 -0.46 -0.16 119.26 124.17 1gxl h ALA 555 Ca 0.42 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1gxl h ALA 555 Cb 0.23 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1gxl h ALA 555 CO -0.19 -0.36 0.01 0.82 0.00 0.00 0.00 179.25 179.53 1gxl h ILE 556 N 0.16 1.22 -0.79 0.00 2.04 -0.40 0.25 117.51 120.00 1gxl h ILE 556 Ca 0.12 -0.69 0.11 0.00 1.00 0.00 0.00 64.86 65.40 1gxl h ILE 556 Cb 0.11 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 1gxl h ILE 556 CO -0.15 0.19 0.52 0.58 0.00 0.00 0.00 178.15 179.29 1gxl h VAL 557 N -0.16 0.90 -0.09 1.67 2.07 -0.83 0.73 116.25 120.55 1gxl h VAL 557 Ca 0.02 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.17 1gxl h VAL 557 Cb 0.29 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1gxl h VAL 557 CO 0.00 0.12 -0.49 -0.08 0.02 0.00 0.00 177.57 177.14 1gxl h GLU 558 N 0.65 0.48 -0.25 1.57 4.57 -0.76 -1.81 114.58 119.03 1gxl h GLU 558 Ca 0.38 -0.41 0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1gxl h GLU 558 Cb 0.57 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.20 1gxl h GLU 558 CO -0.15 1.04 -0.05 0.35 -1.18 0.00 0.00 179.01 179.03 1gxl h PHE 559 N 0.06 -0.10 -0.48 0.92 3.57 0.39 -1.77 116.94 119.53 1gxl h PHE 559 Ca -0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1gxl h PHE 559 Cb 1.14 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1gxl h PHE 559 CO 0.12 -0.09 0.03 -0.07 -2.23 0.00 0.00 178.31 176.07 1gxl h LEU 560 N 0.02 0.79 -2.13 0.59 3.38 -0.97 -2.93 115.31 114.07 1gxl h LEU 560 Ca 0.12 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1gxl h LEU 560 Cb 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1gxl h LEU 560 CO -0.25 0.88 0.05 0.50 0.09 0.00 0.00 178.44 179.71 1gxl h LYS 561 N 0.68 0.00 0.28 1.13 3.64 -0.88 -0.84 116.57 120.58 1gxl h LYS 561 Ca 0.14 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1gxl h LYS 561 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1gxl h LYS 561 CO 0.02 0.00 -0.14 1.96 -2.27 0.00 0.00 179.45 179.02 1gxl h GLN 562 N 0.00 -0.37 -0.05 1.90 1.08 -1.15 -3.32 115.11 113.19 1gxl h GLN 562 Ca 0.03 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1gxl h GLN 562 Cb 0.12 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1gxl h GLN 562 CO -0.00 -0.24 0.00 0.09 -0.95 0.00 0.00 178.83 177.73 1gxl n ASN 563 N -4.89 0.05 -4.43 1.46 4.13 -1.16 -4.88 115.26 105.53 1gxl n ASN 563 Ca -0.05 -1.98 -0.40 0.00 1.68 0.00 0.00 54.58 53.84 1gxl n ASN 563 Cb 0.15 -0.03 -0.07 0.00 -1.54 0.00 0.00 39.78 38.30 1gxl n ASN 563 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1gxl n GLU 564 N -0.47 -1.43 0.00 3.52 1.02 -0.33 -4.79 120.64 118.15 1gxl n GLU 564 Ca 0.00 0.20 0.14 0.00 -0.02 0.00 0.00 57.16 57.49 1gxl n GLU 564 Cb 0.01 -4.73 0.85 0.00 -0.02 0.00 0.00 31.44 27.56 1gxl n GLU 564 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gxl n ALA 565 N -4.19 2.57 0.00 0.62 0.00 -1.14 -5.01 120.51 113.35 1gxl n ALA 565 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1gxl n ALA 565 Cb 0.49 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1gxl n ALA 565 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gxl n GLY 566 N 0.84 0.77 3.80 0.00 0.00 -1.26 -3.13 105.19 106.20 1gxl n GLY 566 Ca 0.21 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 1gxl n GLY 566 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gxl s ARG 567 N -1.05 2.80 0.20 1.61 0.52 -1.26 -4.77 118.95 117.00 1gxl s ARG 567 Ca 0.00 -1.15 -0.15 0.00 -0.52 0.00 0.00 55.73 53.92 1gxl s ARG 567 Cb 0.00 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 33.00 1gxl s ARG 567 CO 0.00 0.35 0.46 0.14 0.02 0.00 0.00 175.30 176.28 1gxl s VAL 568 N -2.19 0.03 -0.15 3.52 -7.23 -1.26 -4.75 120.40 108.37 1gxl s VAL 568 Ca 0.34 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 1gxl s VAL 568 Cb -0.07 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.13 1gxl s VAL 568 CO 0.24 -0.14 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.81 1gxl s THR 569 N -3.92 2.30 -0.11 5.32 2.01 -1.26 -5.05 115.64 114.93 1gxl s THR 569 Ca 0.13 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1gxl s THR 569 Cb -0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1gxl s THR 569 CO -0.00 0.53 0.05 -0.63 -0.69 0.00 0.00 174.62 173.88 1gxl s ILE 570 N 0.92 4.76 -0.50 1.82 1.01 -1.26 -0.95 121.20 126.98 1gxl s ILE 570 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1gxl s ILE 570 Cb -0.15 -3.05 0.13 0.00 0.01 0.00 0.00 42.46 39.40 1gxl s ILE 570 CO -0.03 0.58 0.28 -0.76 0.00 0.00 0.00 174.94 175.01 1gxl s LEU 571 N -0.70 4.93 -0.02 2.97 1.43 0.20 -4.92 118.68 122.57 1gxl s LEU 571 Ca 0.12 -2.59 -0.30 0.00 -1.03 0.00 0.00 54.13 50.32 1gxl s LEU 571 Cb -0.12 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1gxl s LEU 571 CO 0.02 -0.38 1.18 -2.16 0.23 0.00 0.00 176.35 175.25 1gxl s PRO 572 N 0.31 4.39 0.59 1.29 0.04 -1.26 -2.31 135.00 138.05 1gxl s PRO 572 Ca 0.14 1.68 0.31 0.00 0.04 0.00 0.00 61.00 63.17 1gxl s PRO 572 Cb -0.22 -3.49 1.85 0.00 0.04 0.00 0.00 34.50 32.68 1gxl s PRO 572 CO -0.03 -0.36 2.25 -0.07 0.04 0.00 0.00 177.00 178.82 1gxl h LEU 573 N 7.71 0.00 -2.13 -3.56 3.38 -1.16 -0.76 115.31 118.79 1gxl h LEU 573 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1gxl h LEU 573 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1gxl h LEU 573 CO 0.85 0.02 0.00 -0.90 0.09 0.00 0.00 178.44 178.50 1gxl n ASP 574 N -3.71 3.17 0.00 -0.43 5.75 -1.20 -4.42 116.55 115.71 1gxl n ASP 574 Ca -0.03 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 1gxl n ASP 574 Cb 0.10 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1gxl n ASP 574 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1gxl n LEU 575 N 0.84 0.44 -4.76 -2.12 7.94 -0.38 -4.94 117.00 114.03 1gxl n LEU 575 Ca 0.18 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.70 1gxl n LEU 575 Cb 0.57 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.54 1gxl n LEU 575 CO 0.15 0.07 0.92 0.27 -1.11 0.00 0.00 177.39 177.69 1gxl s ILE 576 N -1.25 2.50 -0.15 1.96 -5.25 -0.65 -4.98 121.20 113.37 1gxl s ILE 576 Ca 0.00 0.37 -0.21 0.00 -0.99 0.00 0.00 60.65 59.82 1gxl s ILE 576 Cb 0.00 -3.18 -0.03 0.00 2.95 0.00 0.00 42.46 42.19 1gxl s ILE 576 CO 0.00 -0.01 0.61 -0.62 -1.79 0.00 0.00 174.94 173.13 1gxl s ASP 577 N -1.15 6.76 0.00 4.36 2.15 -1.26 -4.94 116.67 122.59 1gxl s ASP 577 Ca 0.69 0.91 0.14 0.00 0.43 0.00 0.00 52.55 54.73 1gxl s ASP 577 Cb -0.35 -2.35 0.11 0.00 -0.30 0.00 0.00 42.92 40.03 1gxl s ASP 577 CO 0.42 -0.17 0.94 0.61 -0.17 0.00 0.00 175.17 176.81 1gxl n GLY 578 N 3.50 -0.03 3.75 2.66 0.00 -1.26 -3.96 105.19 109.83 1gxl n GLY 578 Ca -0.03 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1gxl n GLY 578 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gxl s SER 579 N -1.18 5.12 -0.16 1.61 1.04 -1.26 -4.13 113.70 114.74 1gxl s SER 579 Ca 0.16 2.73 -0.28 0.00 0.48 0.00 0.00 55.95 59.04 1gxl s SER 579 Cb 0.12 -2.63 0.08 0.00 0.10 0.00 0.00 66.02 63.68 1gxl s SER 579 CO 0.18 -1.67 0.73 0.72 0.98 0.00 0.00 173.24 174.18 1gxl s PHE 580 N -1.33 -0.70 0.13 5.02 -0.71 -1.26 -4.81 117.98 114.32 1gxl s PHE 580 Ca 0.74 1.46 0.11 0.00 -1.04 0.00 0.00 56.93 58.20 1gxl s PHE 580 Cb -0.40 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1gxl s PHE 580 CO 0.46 -0.48 -0.27 0.54 -1.34 0.00 0.00 175.22 174.13 1gxl s ASN 581 N -0.42 3.27 0.05 1.98 2.20 -1.26 -5.00 114.94 115.75 1gxl s ASN 581 Ca -0.05 -0.74 0.01 0.00 -0.94 0.00 0.00 52.86 51.14 1gxl s ASN 581 Cb -0.02 -0.22 -0.04 0.00 -2.00 0.00 0.00 41.25 38.97 1gxl s ASN 581 CO 0.05 0.17 0.13 -0.60 -2.94 0.00 0.00 177.10 173.91 1gxl s ARG 582 N -2.04 3.13 0.02 3.55 6.06 -1.26 -4.86 118.95 123.55 1gxl s ARG 582 Ca 0.13 -0.55 0.08 0.00 -2.50 0.00 0.00 55.73 52.89 1gxl s ARG 582 Cb -0.10 -2.88 -0.03 0.00 0.06 0.00 0.00 34.95 32.01 1gxl s ARG 582 CO 0.06 0.60 -0.23 0.42 -2.50 0.00 0.00 175.30 173.65 1gxl s ILE 583 N -1.39 2.40 0.18 4.11 1.09 -1.26 -5.11 121.20 121.23 1gxl s ILE 583 Ca 0.30 -1.20 -0.30 0.00 -1.10 0.00 0.00 60.65 58.35 1gxl s ILE 583 Cb -0.12 -1.94 -0.08 0.00 -1.06 0.00 0.00 42.46 39.26 1gxl s ILE 583 CO 0.22 0.43 1.04 -0.55 -0.10 0.00 0.00 174.94 175.98 1gxl s SER 584 N -1.09 7.39 0.00 3.58 0.15 -1.26 -3.35 113.70 119.12 1gxl s SER 584 Ca 0.12 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.78 1gxl s SER 584 Cb -0.10 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1gxl s SER 584 CO 0.02 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1gxl n GLY 585 N 1.91 2.34 0.29 9.45 0.00 -1.26 -4.90 105.19 113.02 1gxl n GLY 585 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1gxl n GLY 585 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gxl h LEU 586 N 0.00 0.61 -2.49 0.99 3.38 -1.99 0.21 115.31 116.02 1gxl h LEU 586 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1gxl h LEU 586 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1gxl h LEU 586 CO 0.00 0.37 0.00 1.05 0.09 0.00 0.00 178.44 179.95 1gxl h GLU 587 N 0.74 0.00 -0.64 1.13 9.09 -1.90 0.21 114.58 123.21 1gxl h GLU 587 Ca 0.35 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.73 1gxl h GLU 587 Cb 0.29 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.36 1gxl h GLU 587 CO -0.22 0.00 0.05 0.09 0.05 0.00 0.00 179.01 178.98 1gxl n ASN 588 N -2.82 5.35 -4.93 3.06 3.02 0.74 -4.80 115.26 114.89 1gxl n ASN 588 Ca -0.02 -2.93 -0.28 0.00 -0.03 0.00 0.00 54.58 51.32 1gxl n ASN 588 Cb 0.06 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 1gxl n ASN 588 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1gxl s GLU 589 N -2.70 3.52 -0.28 3.52 2.56 0.06 -5.01 118.70 120.36 1gxl s GLU 589 Ca 0.52 -0.34 -0.35 0.00 0.00 0.00 0.00 54.97 54.80 1gxl s GLU 589 Cb 0.40 -2.85 -0.12 0.00 2.00 0.00 0.00 34.13 33.57 1gxl s GLU 589 CO 0.15 0.41 2.08 0.54 -0.56 0.00 0.00 175.26 177.88 1gxl n ARG 590 N -0.60 1.35 -0.99 4.30 5.12 -1.26 -1.81 116.66 122.77 1gxl n ARG 590 Ca -0.05 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.29 1gxl n ARG 590 Cb 0.54 -2.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.34 1gxl n ARG 590 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gxl n GLY 591 N 5.79 0.49 3.37 -0.13 0.00 -1.26 -4.83 105.19 108.62 1gxl n GLY 591 Ca 0.35 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1gxl n GLY 591 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1gxl n PHE 592 N -2.99 -1.32 -1.92 1.61 7.35 -0.75 -1.64 117.46 117.80 1gxl n PHE 592 Ca 0.00 0.17 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 1gxl n PHE 592 Cb 0.00 -1.69 0.00 0.00 0.35 0.00 0.00 39.48 38.14 1gxl n PHE 592 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1gxl n VAL 593 N -4.11 0.00 0.00 -2.13 0.31 -0.84 -4.66 118.33 106.90 1gxl n VAL 593 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1gxl n VAL 593 Cb 0.57 0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1gxl n VAL 593 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gxl n GLY 594 N 0.00 2.46 3.76 2.92 0.00 -1.24 -4.83 105.19 108.26 1gxl n GLY 594 Ca 0.00 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 1gxl n GLY 594 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gxl s TYR 595 N -2.82 3.94 0.30 1.61 1.51 -1.26 -1.71 117.35 118.91 1gxl s TYR 595 Ca 0.00 1.75 -0.02 0.00 -1.01 0.00 0.00 57.07 57.79 1gxl s TYR 595 Cb 0.00 -2.86 0.45 0.00 -0.11 0.00 0.00 41.96 39.43 1gxl s TYR 595 CO 0.00 0.48 1.97 0.00 -1.11 0.00 0.00 175.55 176.89 1gxl h ALA 596 N 4.31 1.41 -0.37 3.71 0.00 -1.85 -1.72 119.26 124.76 1gxl h ALA 596 Ca -0.46 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.49 1gxl h ALA 596 Cb 1.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1gxl h ALA 596 CO 0.67 0.55 0.26 -0.24 0.00 0.00 0.00 179.25 180.49 1gxl h VAL 597 N 1.12 0.83 0.00 0.00 3.04 -1.93 -0.91 116.25 118.40 1gxl h VAL 597 Ca 0.30 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.98 1gxl h VAL 597 Cb -0.13 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 1gxl h VAL 597 CO -0.06 0.01 0.00 0.47 -1.01 0.00 0.00 177.57 176.97 1gxl n ASP 598 N -4.44 0.00 -0.65 3.17 8.00 -0.65 -2.43 116.55 119.56 1gxl n ASP 598 Ca 0.06 -0.48 0.07 0.00 0.71 0.00 0.00 54.79 55.15 1gxl n ASP 598 Cb 0.42 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.72 1gxl n ASP 598 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1gxl n LEU 599 N -0.97 3.28 -3.93 0.64 4.32 -0.35 -5.02 117.00 114.97 1gxl n LEU 599 Ca 0.10 -2.68 -0.09 0.00 -0.02 0.00 0.00 56.01 53.33 1gxl n LEU 599 Cb 0.05 -0.40 -0.09 0.00 -1.62 0.00 0.00 43.42 41.36 1gxl n LEU 599 CO 0.08 0.68 -0.19 -0.69 -1.22 0.00 0.00 177.39 176.05 1gxl s VAL 600 N -2.21 0.15 0.04 4.08 1.01 -1.02 -4.05 120.40 118.41 1gxl s VAL 600 Ca 0.33 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 61.10 1gxl s VAL 600 Cb 0.25 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1gxl s VAL 600 CO 0.09 -0.70 -0.16 -0.54 0.00 0.00 0.00 175.10 173.80 1gxl s LYS 601 N -3.39 1.06 0.00 2.72 -0.14 -0.53 -4.97 119.74 114.48 1gxl s LYS 601 Ca 0.02 -0.81 0.02 0.00 -1.36 0.00 0.00 55.97 53.84 1gxl s LYS 601 Cb 0.03 -1.10 -0.01 0.00 -1.68 0.00 0.00 37.83 35.07 1gxl s LYS 601 CO -0.08 0.28 -0.06 -0.06 -0.76 0.00 0.00 175.35 174.66 1gxl s PHE 602 N -0.83 0.56 -0.08 3.18 0.40 -1.26 -2.84 117.98 117.10 1gxl s PHE 602 Ca 0.03 -0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1gxl s PHE 602 Cb -0.08 -0.35 -0.08 0.00 0.51 0.00 0.00 43.02 43.02 1gxl s PHE 602 CO 0.01 -0.02 1.54 -0.35 0.70 0.00 0.00 175.22 177.11 1gxl n PRO 603 N 2.72 0.74 0.00 0.24 -0.04 -1.26 -4.80 135.00 132.59 1gxl n PRO 603 Ca -0.14 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1gxl n PRO 603 Cb 0.57 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1gxl n PRO 603 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gxl n SER 604 N 3.09 0.00 0.00 3.54 3.41 -1.26 -3.36 113.62 119.04 1gxl n SER 604 Ca 0.16 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.80 1gxl n SER 604 Cb 0.27 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.38 1gxl n SER 604 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1gxl n ASP 605 N 0.00 0.00 -0.11 4.04 5.75 -1.26 -0.86 116.55 124.10 1gxl n ASP 605 Ca 0.00 -0.51 0.03 0.00 -0.01 0.00 0.00 54.79 54.30 1gxl n ASP 605 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 1gxl n ASP 605 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1gxl n LEU 606 N -0.76 1.34 -0.32 -2.12 4.77 -1.21 -4.85 117.00 113.85 1gxl n LEU 606 Ca 0.04 -1.75 0.12 0.00 -0.03 0.00 0.00 56.01 54.40 1gxl n LEU 606 Cb 0.02 -0.13 0.30 0.00 -2.33 0.00 0.00 43.42 41.28 1gxl n LEU 606 CO 0.03 0.42 1.12 -0.08 -1.33 0.00 0.00 177.39 177.55 1gxl h GLU 607 N 0.00 0.56 0.32 3.23 4.81 -1.30 -1.57 114.58 120.62 1gxl h GLU 607 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1gxl h GLU 607 Cb 0.91 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1gxl h GLU 607 CO 0.00 0.37 -0.15 -0.39 -0.73 0.00 0.00 179.01 178.11 1gxl h VAL 608 N 0.58 0.70 -1.59 0.32 -1.51 -1.89 -1.29 116.25 111.56 1gxl h VAL 608 Ca 0.55 -0.13 0.49 0.00 -1.23 0.00 0.00 66.70 66.39 1gxl h VAL 608 Cb 0.95 0.78 -0.10 0.00 -2.13 0.00 0.00 31.29 30.78 1gxl h VAL 608 CO -0.44 0.03 1.10 0.25 -1.23 0.00 0.00 177.57 177.28 1gxl h LEU 609 N -0.49 0.11 0.04 4.19 5.85 -1.67 0.74 115.31 124.08 1gxl h LEU 609 Ca -0.04 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1gxl h LEU 609 Cb 0.37 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1gxl h LEU 609 CO 0.07 -0.10 -0.02 1.23 -0.34 0.00 0.00 178.44 179.28 1gxl h GLY 610 N 0.03 -0.06 2.00 3.75 0.00 -0.98 -1.36 103.07 106.45 1gxl h GLY 610 Ca 0.85 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 48.17 1gxl h GLY 610 CO -0.21 -0.02 -0.15 -1.33 0.00 0.00 0.00 176.54 174.83 1gxl h GLY 611 N -0.59 0.00 0.71 4.60 0.00 0.75 0.27 103.07 108.82 1gxl h GLY 611 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 1gxl h GLY 611 CO 0.01 0.00 -0.34 -2.75 0.00 0.00 0.00 176.54 173.46 1gxl h PHE 612 N 0.00 0.49 0.09 5.60 3.57 -0.51 -3.34 116.94 122.85 1gxl h PHE 612 Ca -0.00 -0.21 -0.26 0.00 3.53 0.00 0.00 57.97 61.03 1gxl h PHE 612 Cb 0.28 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 38.94 1gxl h PHE 612 CO 0.00 0.95 -1.15 -0.07 -2.23 0.00 0.00 178.31 175.81 1gxl h LEU 613 N -0.11 0.47 0.00 0.59 3.38 -0.90 -3.48 115.31 115.26 1gxl h LEU 613 Ca -0.02 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1gxl h LEU 613 Cb 0.99 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1gxl h LEU 613 CO 0.07 1.32 0.00 0.49 0.09 0.00 0.00 178.44 180.41 1gxl n PHE 614 N -3.61 0.00 0.00 1.13 3.01 0.92 -4.86 117.46 114.04 1gxl n PHE 614 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1gxl n PHE 614 Cb 0.96 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.43 1gxl n PHE 614 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gxl n GLY 615 N 1.08 1.79 0.39 1.37 0.00 -1.26 -4.36 105.19 104.20 1gxl n GLY 615 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1gxl n GLY 615 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gxl n ASN 616 N 0.40 2.07 -4.85 1.61 4.05 -1.26 -4.32 115.26 112.97 1gxl n ASN 616 Ca 0.00 -1.59 -0.27 0.00 0.45 0.00 0.00 54.58 53.17 1gxl n ASN 616 Cb 0.00 -0.07 -0.05 0.00 1.23 0.00 0.00 39.78 40.90 1gxl n ASN 616 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1gxl s SER 617 N -0.81 5.83 -0.00 1.20 0.01 -1.26 -1.88 113.70 116.79 1gxl s SER 617 Ca 0.13 0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.37 1gxl s SER 617 Cb 0.08 -1.63 -0.00 0.00 0.21 0.00 0.00 66.02 64.67 1gxl s SER 617 CO 0.11 0.08 0.05 -0.69 0.41 0.00 0.00 173.24 173.20 1gxl s VAL 618 N -1.69 0.06 -0.11 3.43 1.01 -0.24 -2.71 120.40 120.14 1gxl s VAL 618 Ca 0.32 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1gxl s VAL 618 Cb -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1gxl s VAL 618 CO 0.25 -0.27 0.01 -0.69 0.00 0.00 0.00 175.10 174.40 1gxl s VAL 619 N -0.85 4.37 0.26 2.92 1.01 -0.69 -1.10 120.40 126.32 1gxl s VAL 619 Ca -0.09 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1gxl s VAL 619 Cb -0.06 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1gxl s VAL 619 CO 0.00 0.57 0.06 1.33 0.00 0.00 0.00 175.10 177.05 1gxl n VAL 620 N 2.56 0.00 -0.03 2.92 0.24 0.21 -1.98 118.33 122.25 1gxl n VAL 620 Ca -0.18 -1.41 -0.00 0.00 -2.04 0.00 0.00 64.34 60.71 1gxl n VAL 620 Cb 0.53 0.43 -0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1gxl n VAL 620 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1gxl h GLU 621 N 0.00 0.00 -6.25 7.34 5.08 -1.58 -2.60 114.58 116.57 1gxl h GLU 621 Ca -0.21 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.54 1gxl h GLU 621 Cb 0.73 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.83 1gxl h GLU 621 CO 0.34 0.00 -0.77 0.95 -1.00 0.00 0.00 179.01 178.53 1gxl s THR 622 N -1.39 2.42 0.58 1.13 -4.23 -1.26 -1.93 115.64 110.95 1gxl s THR 622 Ca -0.01 -2.33 0.28 0.00 -1.18 0.00 0.00 61.69 58.45 1gxl s THR 622 Cb 0.00 -2.25 0.36 0.00 1.34 0.00 0.00 72.50 71.94 1gxl s THR 622 CO 0.01 -0.36 2.11 0.25 -0.54 0.00 0.00 174.62 176.09 1gxl h LEU 623 N 2.45 0.00 -0.27 4.79 5.85 -1.97 -0.55 115.31 125.61 1gxl h LEU 623 Ca -0.41 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.16 1gxl h LEU 623 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1gxl h LEU 623 CO 0.58 0.00 -0.42 0.44 -0.34 0.00 0.00 178.44 178.70 1gxl h ASP 624 N 0.00 0.84 -0.43 1.25 5.19 -1.99 0.10 116.42 121.39 1gxl h ASP 624 Ca 0.09 -0.52 0.02 0.00 -0.62 0.00 0.00 57.03 56.00 1gxl h ASP 624 Cb 0.47 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 1gxl h ASP 624 CO -0.00 1.20 0.26 0.44 -3.12 0.00 0.00 179.24 178.01 1gxl h ASP 625 N 0.51 0.42 0.29 6.45 3.45 -1.46 -0.49 116.42 125.59 1gxl h ASP 625 Ca 0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1gxl h ASP 625 Cb 1.02 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.67 1gxl h ASP 625 CO 0.10 0.30 -0.37 0.00 -1.57 0.00 0.00 179.24 177.70 1gxl h ALA 626 N 1.19 -0.75 -0.75 3.45 0.00 -1.00 -0.18 119.26 121.22 1gxl h ALA 626 Ca 0.17 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1gxl h ALA 626 Cb -0.00 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1gxl h ALA 626 CO -0.07 -0.97 0.42 0.82 0.00 0.00 0.00 179.25 179.45 1gxl h ILE 627 N -0.71 0.94 0.82 0.00 2.04 -0.46 0.83 117.51 120.97 1gxl h ILE 627 Ca -0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1gxl h ILE 627 Cb 0.67 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1gxl h ILE 627 CO -0.11 0.14 -0.42 -0.09 0.00 0.00 0.00 178.15 177.66 1gxl h ARG 628 N 0.74 -1.10 -0.45 2.37 2.43 -0.78 -2.03 114.38 115.56 1gxl h ARG 628 Ca 0.35 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.68 1gxl h ARG 628 Cb 0.26 0.25 -0.09 0.00 -0.42 0.00 0.00 29.97 29.97 1gxl h ARG 628 CO -0.21 -0.73 -0.21 1.98 -1.51 0.00 0.00 179.97 179.29 1gxl h MET 629 N -1.14 -0.11 -0.24 0.20 4.05 -0.68 0.93 114.93 117.94 1gxl h MET 629 Ca -0.11 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.39 1gxl h MET 629 Cb 0.89 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.70 1gxl h MET 629 CO 0.17 -0.07 0.21 -0.22 0.23 0.00 0.00 176.91 177.23 1gxl h LYS 630 N -0.11 0.00 0.14 0.39 1.63 -0.71 -1.79 116.57 116.11 1gxl h LYS 630 Ca 0.21 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.70 1gxl h LYS 630 Cb 0.44 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1gxl h LYS 630 CO -0.52 0.00 -1.54 0.87 -3.45 0.00 0.00 179.45 174.81 1gxl h LYS 631 N 0.00 0.29 0.73 1.90 1.57 -0.12 -2.29 116.57 118.64 1gxl h LYS 631 Ca 0.11 -0.50 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1gxl h LYS 631 Cb 0.54 0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.04 1gxl h LYS 631 CO -0.00 1.17 -0.35 -0.22 -0.57 0.00 0.00 179.45 179.48 1gxl h LYS 632 N 0.08 -0.94 0.00 3.15 3.64 -0.37 -3.28 116.57 118.85 1gxl h LYS 632 Ca -0.25 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1gxl h LYS 632 Cb 2.03 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 34.07 1gxl h LYS 632 CO 0.17 -0.62 -0.21 1.88 -2.27 0.00 0.00 179.45 178.40 1gxl h TYR 633 N -1.25 0.00 -6.70 1.91 -1.99 -1.62 -3.48 116.97 103.86 1gxl h TYR 633 Ca -0.10 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.30 1gxl h TYR 633 Cb 0.75 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.42 1gxl h TYR 633 CO 0.00 0.08 -0.54 -2.13 -0.00 0.00 0.00 178.16 175.57 1gxl n ARG 634 N -3.06 -0.77 0.00 4.88 3.00 -0.86 -4.90 116.66 114.94 1gxl n ARG 634 Ca 0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1gxl n ARG 634 Cb 0.57 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.64 1gxl n ARG 634 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1gxl n LEU 635 N -3.09 0.00 -2.35 6.15 4.77 -1.26 -5.04 117.00 116.18 1gxl n LEU 635 Ca -0.12 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.59 1gxl n LEU 635 Cb 0.34 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1gxl n LEU 635 CO 0.43 0.00 0.34 -0.46 -1.33 0.00 0.00 177.39 176.38 1gxl n ASN 636 N 0.00 5.13 -4.80 -1.43 2.04 -1.26 -4.69 115.26 110.25 1gxl n ASN 636 Ca 0.00 -3.74 -0.37 0.00 -0.44 0.00 0.00 54.58 50.03 1gxl n ASN 636 Cb 0.00 -0.49 -0.06 0.00 -2.53 0.00 0.00 39.78 36.70 1gxl n ASN 636 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1gxl s THR 637 N -5.15 5.24 0.35 5.53 -4.23 -1.26 -4.55 115.64 111.58 1gxl s THR 637 Ca 0.50 0.60 -0.25 0.00 -1.18 0.00 0.00 61.69 61.37 1gxl s THR 637 Cb 0.41 -3.62 -0.10 0.00 1.34 0.00 0.00 72.50 70.53 1gxl s THR 637 CO -0.12 0.50 0.95 -0.13 -0.54 0.00 0.00 174.62 175.28 1gxl s ARG 638 N -0.40 4.48 -0.02 3.99 1.81 -0.79 -4.06 118.95 123.95 1gxl s ARG 638 Ca 0.19 1.27 0.00 0.00 -1.72 0.00 0.00 55.73 55.47 1gxl s ARG 638 Cb -0.14 -2.62 0.03 0.00 -0.45 0.00 0.00 34.95 31.77 1gxl s ARG 638 CO 0.08 0.19 0.01 0.42 -0.68 0.00 0.00 175.30 175.31 1gxl s ILE 639 N -1.78 0.08 -0.06 1.52 1.01 -0.75 -1.08 121.20 120.14 1gxl s ILE 639 Ca 0.54 0.13 0.06 0.00 0.00 0.00 0.00 60.65 61.38 1gxl s ILE 639 Cb -0.16 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.11 1gxl s ILE 639 CO 0.21 0.12 -0.25 0.00 0.00 0.00 0.00 174.94 175.02 1gxl s ALA 640 N 0.99 2.12 0.58 9.38 0.00 -0.26 -0.40 121.76 134.18 1gxl s ALA 640 Ca -0.09 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1gxl s ALA 640 Cb -0.13 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.36 1gxl s ALA 640 CO -0.02 0.41 0.85 0.95 0.00 0.00 0.00 175.76 177.94 1gxl s THR 641 N -0.14 2.91 0.08 0.00 -4.23 -0.64 -0.62 115.64 113.00 1gxl s THR 641 Ca -0.04 -0.43 0.22 0.00 -1.18 0.00 0.00 61.69 60.27 1gxl s THR 641 Cb -0.14 -3.14 0.20 0.00 1.34 0.00 0.00 72.50 70.76 1gxl s THR 641 CO 0.04 -0.12 1.76 -0.07 -0.54 0.00 0.00 174.62 175.68 1gxl h LEU 642 N -0.11 0.00 -0.21 4.79 3.38 -0.97 -2.65 115.31 119.54 1gxl h LEU 642 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1gxl h LEU 642 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1gxl h LEU 642 CO 0.57 0.27 0.00 0.44 0.09 0.00 0.00 178.44 179.81 1gxl h ASP 643 N 0.00 0.00 0.00 -0.43 5.19 -1.89 -3.47 116.42 115.81 1gxl h ASP 643 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1gxl h ASP 643 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1gxl h ASP 643 CO 0.04 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.77 1gxl n GLY 644 N 0.97 1.02 3.73 2.75 0.00 -1.00 -5.01 105.19 107.65 1gxl n GLY 644 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1gxl n GLY 644 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gxl s GLU 645 N -0.20 1.21 -0.07 1.61 8.01 -1.26 -4.79 118.70 123.21 1gxl s GLU 645 Ca 0.00 0.70 -0.06 0.00 0.01 0.00 0.00 54.97 55.62 1gxl s GLU 645 Cb 0.00 -1.81 0.02 0.00 -4.31 0.00 0.00 34.13 28.03 1gxl s GLU 645 CO 0.00 -2.24 0.19 -0.51 0.01 0.00 0.00 175.26 172.70 1gxl s LEU 646 N -6.19 1.28 -0.20 1.80 1.02 -0.06 -1.62 118.68 114.72 1gxl s LEU 646 Ca 0.63 0.37 0.01 0.00 0.02 0.00 0.00 54.13 55.17 1gxl s LEU 646 Cb -0.17 0.63 0.03 0.00 0.02 0.00 0.00 46.19 46.70 1gxl s LEU 646 CO 0.56 -0.07 -0.17 -0.63 0.02 0.00 0.00 176.35 176.06 1gxl s ILE 647 N 0.11 2.05 0.89 -0.59 1.09 0.46 -0.92 121.20 124.29 1gxl s ILE 647 Ca -0.00 -1.08 -0.11 0.00 -1.10 0.00 0.00 60.65 58.36 1gxl s ILE 647 Cb -0.01 -1.93 0.13 0.00 -1.06 0.00 0.00 42.46 39.58 1gxl s ILE 647 CO 0.00 0.40 1.10 -0.94 -0.10 0.00 0.00 174.94 175.40 1gxl s SER 648 N 1.26 3.41 0.34 3.58 1.04 0.45 -1.80 113.70 121.98 1gxl s SER 648 Ca 0.02 1.78 0.10 0.00 0.48 0.00 0.00 55.95 58.33 1gxl s SER 648 Cb -0.15 -2.40 0.86 0.00 0.10 0.00 0.00 66.02 64.43 1gxl s SER 648 CO -0.11 -2.72 1.80 1.23 0.98 0.00 0.00 173.24 174.42 1gxl h GLY 649 N -1.61 1.50 0.99 7.32 0.00 -1.80 -0.59 103.07 108.88 1gxl h GLY 649 Ca -0.47 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1gxl h GLY 649 CO 0.50 -0.05 -0.25 0.54 0.00 0.00 0.00 176.54 177.27 1gxl n ARG 650 N -4.68 0.37 0.00 4.80 1.74 -1.26 -4.18 116.66 113.45 1gxl n ARG 650 Ca 0.22 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1gxl n ARG 650 Cb 0.63 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1gxl n ARG 650 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gxl n GLY 651 N 1.40 1.02 3.72 -0.13 0.00 -0.23 -5.10 105.19 105.87 1gxl n GLY 651 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1gxl n GLY 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxl s ALA 652 N -1.99 3.48 -0.26 4.61 0.00 -1.26 -4.73 121.76 121.60 1gxl s ALA 652 Ca 0.00 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 1gxl s ALA 652 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1gxl s ALA 652 CO 0.00 -0.50 0.10 0.42 0.00 0.00 0.00 175.76 175.78 1gxl s ILE 653 N 0.87 4.49 -0.11 0.00 1.01 -1.26 -0.42 121.20 125.78 1gxl s ILE 653 Ca 0.60 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 1gxl s ILE 653 Cb -0.33 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 1gxl s ILE 653 CO 0.31 0.30 -0.09 -0.89 0.00 0.00 0.00 174.94 174.57 1gxl s THR 654 N 1.64 3.43 0.05 2.92 2.01 -0.10 -4.98 115.64 120.62 1gxl s THR 654 Ca 0.06 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 1gxl s THR 654 Cb -0.15 -2.44 0.01 0.00 0.01 0.00 0.00 72.50 69.93 1gxl s THR 654 CO 0.05 0.54 0.14 0.61 -0.69 0.00 0.00 174.62 175.27 1gxl n GLY 655 N 3.03 1.64 0.00 4.40 0.00 -1.26 -0.88 105.19 112.12 1gxl n GLY 655 Ca -0.18 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1gxl n GLY 655 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gxl n GLY 656 N -0.10 2.17 3.42 -0.02 0.00 -1.26 -5.06 105.19 104.34 1gxl n GLY 656 Ca -0.01 -1.98 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 1gxl n GLY 656 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gxl s ARG 657 N -2.52 1.57 0.00 1.61 3.52 -1.26 -4.98 118.95 116.88 1gxl s ARG 657 Ca 0.00 -1.84 0.00 0.00 -0.13 0.00 0.00 55.73 53.76 1gxl s ARG 657 Cb 0.00 -0.90 0.00 0.00 -1.56 0.00 0.00 34.95 32.49 1gxl s ARG 657 CO 0.00 -0.11 0.00 -0.85 -0.81 0.00 0.00 175.30 173.53 1gxl n GLU 658 N -0.61 0.00 -0.10 5.12 0.28 -1.26 -5.09 120.64 118.97 1gxl n GLU 658 Ca -0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.81 1gxl n GLU 658 Cb 0.65 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.43 1gxl n GLU 658 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1gxl n GLU 659 N 0.00 0.50 0.00 3.44 4.71 -1.26 -4.40 120.64 123.62 1gxl n GLU 659 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1gxl n GLU 659 Cb 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 1gxl n GLU 659 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1gxl n ARG 660 N -3.21 0.00 0.00 3.49 0.63 -1.26 -4.78 116.66 111.53 1gxl n ARG 660 Ca -0.37 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1gxl n ARG 660 Cb 0.87 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 32.19 1gxl n ARG 660 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1gxl n SER 661 N -1.36 0.00 -3.77 6.15 3.41 -1.26 -4.48 113.62 112.30 1gxl n SER 661 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1gxl n SER 661 Cb 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1gxl n SER 661 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1gxl n SER 662 N 1.02 -3.04 -4.22 4.04 7.64 -1.26 -4.92 113.62 112.88 1gxl n SER 662 Ca 0.00 -0.99 -0.42 0.00 1.01 0.00 0.00 58.87 58.47 1gxl n SER 662 Cb 0.00 -3.37 -0.06 0.00 -1.01 0.00 0.00 64.21 59.78 1gxl n SER 662 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1gxl s ASN 663 N -3.90 6.02 0.22 6.43 3.84 -1.26 -4.90 114.94 121.40 1gxl s ASN 663 Ca 0.25 -2.69 -0.02 0.00 0.21 0.00 0.00 52.86 50.61 1gxl s ASN 663 Cb -0.09 -2.04 0.46 0.00 -0.55 0.00 0.00 41.25 39.03 1gxl s ASN 663 CO 0.86 -0.50 1.18 0.52 -2.79 0.00 0.00 177.10 176.37 1gxl n VAL 664 N 3.86 -0.32 1.86 -5.21 0.31 -1.26 0.28 118.33 117.84 1gxl n VAL 664 Ca 0.09 1.69 0.12 0.00 -0.01 0.00 0.00 64.34 66.23 1gxl n VAL 664 Cb 0.42 -2.41 0.70 0.00 -0.91 0.00 0.00 33.84 31.64 1gxl n VAL 664 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1gxl n PHE 665 N -5.14 0.00 0.09 3.52 3.72 -1.26 -4.34 117.46 114.05 1gxl n PHE 665 Ca 0.15 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.47 1gxl n PHE 665 Cb 0.48 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.98 1gxl n PHE 665 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1gxl h GLU 666 N 0.00 -0.37 -1.00 -1.08 4.81 -0.56 -0.63 114.58 115.75 1gxl h GLU 666 Ca 0.00 0.03 0.36 0.00 -0.13 0.00 0.00 59.36 59.62 1gxl h GLU 666 Cb 0.00 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 29.30 1gxl h GLU 666 CO 0.00 -0.24 0.54 -0.09 -0.73 0.00 0.00 179.01 178.49 1gxl h ARG 667 N -0.38 0.17 -0.05 1.92 2.43 -1.80 0.50 114.38 117.17 1gxl h ARG 667 Ca -0.02 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1gxl h ARG 667 Cb 0.35 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1gxl h ARG 667 CO -0.07 0.11 -0.31 0.00 -1.51 0.00 0.00 179.97 178.19 1gxl h ARG 668 N 0.17 0.30 -1.00 0.20 3.08 -1.75 -3.21 114.38 112.17 1gxl h ARG 668 Ca 0.78 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 60.60 1gxl h ARG 668 Cb 1.92 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.97 1gxl h ARG 668 CO -0.69 0.91 0.66 0.82 -1.07 0.00 0.00 179.97 180.61 1gxl h ILE 669 N -0.24 1.23 0.00 2.04 1.08 0.86 0.21 117.51 122.68 1gxl h ILE 669 Ca -0.03 -0.45 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1gxl h ILE 669 Cb 0.98 -0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1gxl h ILE 669 CO 0.06 0.24 0.02 1.17 -0.69 0.00 0.00 178.15 178.95 1gxl n LYS 670 N -4.41 0.00 -0.02 2.37 3.00 0.15 -1.11 118.16 118.14 1gxl n LYS 670 Ca 0.12 0.17 -0.02 0.00 -0.00 0.00 0.00 58.31 58.59 1gxl n LYS 670 Cb 0.04 -1.52 -0.04 0.00 0.00 0.00 0.00 35.03 33.52 1gxl n LYS 670 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1gxl n LEU 671 N -1.14 0.00 0.00 3.14 4.32 0.64 -2.93 117.00 121.03 1gxl n LEU 671 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.03 1gxl n LEU 671 Cb 0.02 0.10 0.18 0.00 -1.62 0.00 0.00 43.42 42.09 1gxl n LEU 671 CO 0.00 0.10 0.62 1.17 -1.22 0.00 0.00 177.39 178.05 1gxl n LYS 672 N -2.10 0.02 0.00 3.23 4.81 -0.27 -0.90 118.16 122.95 1gxl n LYS 672 Ca -0.07 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1gxl n LYS 672 Cb 0.58 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.13 1gxl n LYS 672 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1gxl n HIS 673 N -1.46 0.00 -0.45 5.64 8.25 -0.97 -4.21 115.22 122.02 1gxl n HIS 673 Ca 0.02 0.00 0.36 0.00 -0.26 0.00 0.00 57.72 57.84 1gxl n HIS 673 Cb 0.09 0.00 0.58 0.00 1.12 0.00 0.00 29.99 31.78 1gxl n HIS 673 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1gxl n LEU 674 N -1.47 0.09 0.00 2.41 4.77 -1.15 0.31 117.00 121.97 1gxl n LEU 674 Ca 0.00 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1gxl n LEU 674 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1gxl n LEU 674 CO 0.00 -1.01 0.30 1.21 -1.33 0.00 0.00 177.39 176.56 1gxl n GLU 675 N -3.93 0.00 0.04 3.23 4.07 -0.07 -2.83 120.64 121.15 1gxl n GLU 675 Ca 0.33 0.48 0.12 0.00 -0.06 0.00 0.00 57.16 58.03 1gxl n GLU 675 Cb 1.38 -1.28 0.49 0.00 -0.06 0.00 0.00 31.44 31.96 1gxl n GLU 675 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1gxl n GLN 676 N -1.95 0.08 0.26 5.31 -0.00 0.27 -2.82 117.38 118.54 1gxl n GLN 676 Ca 0.00 0.15 -0.16 0.00 -0.00 0.00 0.00 57.00 56.99 1gxl n GLN 676 Cb 0.00 -1.61 -0.08 0.00 -0.00 0.00 0.00 30.24 28.54 1gxl n GLN 676 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1gxl h GLU 677 N 0.00 -0.62 -4.75 2.61 4.22 0.48 -2.96 114.58 113.56 1gxl h GLU 677 Ca 0.00 0.04 -0.70 0.00 0.08 0.00 0.00 59.36 58.78 1gxl h GLU 677 Cb 0.49 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 1gxl h GLU 677 CO 0.00 -0.35 2.58 0.00 -2.18 0.00 0.00 179.01 179.05 1gxl n MET 678 N -5.32 3.08 0.00 1.92 0.00 -1.13 -5.03 117.12 110.65 1gxl n MET 678 Ca -0.11 -3.02 0.00 0.00 0.00 0.00 0.00 57.70 54.57 1gxl n MET 678 Cb 0.29 -3.33 0.00 0.00 0.00 0.00 0.00 33.22 30.18 1gxl n MET 678 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06