#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 0.39 -2.42 1.64 4.81 -1.99 -2.03 114.58 114.97 1gxl h GLU 476 Ca 0.00 -0.55 -0.65 0.00 -0.13 0.00 0.00 59.36 58.02 1gxl h GLU 476 Cb 0.00 0.19 -0.14 0.00 0.63 0.00 0.00 28.75 29.43 1gxl h GLU 476 CO 0.00 1.23 1.77 1.17 -0.73 0.00 0.00 179.01 182.45 1gxl n LYS 477 N -3.65 3.86 0.00 1.92 4.81 -1.26 -2.13 118.16 121.71 1gxl n LYS 477 Ca -0.09 -3.04 0.00 0.00 -0.87 0.00 0.00 58.31 54.30 1gxl n LYS 477 Cb 0.97 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.55 1gxl n LYS 477 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1gxl n ARG 478 N 1.52 0.00 0.00 1.64 0.63 -1.25 -4.88 116.66 114.32 1gxl n ARG 478 Ca 0.58 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 1gxl n ARG 478 Cb 0.35 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.26 1gxl n ARG 478 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1gxl n LEU 479 N -0.22 1.18 0.00 6.15 4.77 -0.76 -2.26 117.00 125.86 1gxl n LEU 479 Ca 0.00 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1gxl n LEU 479 Cb 0.00 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1gxl n LEU 479 CO 0.00 0.25 -0.22 0.54 -1.33 0.00 0.00 177.39 176.63 1gxl n ARG 480 N 0.20 0.86 0.00 3.23 1.74 -1.25 -4.53 116.66 116.92 1gxl n ARG 480 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1gxl n ARG 480 Cb 0.25 -0.72 0.45 0.00 -1.02 0.00 0.00 32.46 31.42 1gxl n ARG 480 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1gxl n GLU 481 N -1.54 0.46 -0.05 5.56 2.13 -0.96 0.85 120.64 127.09 1gxl n GLU 481 Ca 0.00 0.01 -0.03 0.00 0.66 0.00 0.00 57.16 57.80 1gxl n GLU 481 Cb 0.22 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.42 1gxl n GLU 481 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1gxl h ILE 482 N 0.00 0.00 -0.03 6.31 5.03 -1.81 -0.70 117.51 126.31 1gxl h ILE 482 Ca 0.00 -0.81 0.01 0.00 -0.12 0.00 0.00 64.86 63.94 1gxl h ILE 482 Cb 0.01 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 33.80 1gxl h ILE 482 CO 0.00 0.00 0.16 -0.61 -0.68 0.00 0.00 178.15 177.02 1gxl h GLN 483 N -0.81 0.00 0.00 2.37 5.75 -1.49 -1.21 115.11 119.72 1gxl h GLN 483 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1gxl h GLN 483 Cb 0.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1gxl h GLN 483 CO 0.00 0.00 -0.29 0.35 -2.65 0.00 0.00 178.83 176.24 1gxl h PHE 484 N 0.00 0.00 0.00 3.99 3.04 0.33 -3.31 116.94 120.99 1gxl h PHE 484 Ca 0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1gxl h PHE 484 Cb 0.32 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1gxl h PHE 484 CO 0.00 0.00 0.42 1.49 -2.02 0.00 0.00 178.31 178.20 1gxl h GLU 485 N -0.82 0.00 0.20 1.11 4.81 -0.78 1.02 114.58 120.13 1gxl h GLU 485 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1gxl h GLU 485 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1gxl h GLU 485 CO 0.00 0.00 -0.10 -0.22 -0.73 0.00 0.00 179.01 177.96 1gxl h LYS 486 N 0.00 -0.27 -0.51 1.92 3.64 -1.34 -3.07 116.57 116.95 1gxl h LYS 486 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1gxl h LYS 486 Cb 0.83 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1gxl h LYS 486 CO 0.00 0.13 0.19 0.93 -2.27 0.00 0.00 179.45 178.43 1gxl h GLU 487 N -0.80 0.73 -1.03 1.90 5.08 0.95 0.59 114.58 122.00 1gxl h GLU 487 Ca -0.03 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1gxl h GLU 487 Cb 0.51 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1gxl h GLU 487 CO 0.05 0.61 0.00 -1.33 -1.00 0.00 0.00 179.01 177.34 1gxl n MET 488 N -4.34 0.85 -0.31 2.33 2.81 -0.52 -2.10 117.12 115.84 1gxl n MET 488 Ca 0.04 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.92 1gxl n MET 488 Cb 0.16 -1.22 -0.01 0.00 -0.71 0.00 0.00 33.22 31.45 1gxl n MET 488 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 1gxl n ILE 489 N 0.37 0.00 0.00 2.02 0.13 -0.54 -4.91 119.36 116.43 1gxl n ILE 489 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1gxl n ILE 489 Cb 0.34 0.05 0.00 0.00 -0.84 0.00 0.00 39.64 39.19 1gxl n ILE 489 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1gxl n GLU 490 N 0.00 1.28 0.13 9.51 2.13 0.09 -4.48 120.64 129.31 1gxl n GLU 490 Ca -0.03 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.91 1gxl n GLU 490 Cb 0.24 -0.73 0.50 0.00 0.27 0.00 0.00 31.44 31.72 1gxl n GLU 490 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1gxl n ARG 491 N -1.42 0.19 -0.05 5.31 0.63 -0.89 -1.40 116.66 119.03 1gxl n ARG 491 Ca 0.00 0.44 -0.19 0.00 -0.92 0.00 0.00 57.85 57.18 1gxl n ARG 491 Cb 0.23 -1.88 -0.13 0.00 0.45 0.00 0.00 32.46 31.13 1gxl n ARG 491 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1gxl h ASP 492 N 0.00 0.16 -0.29 6.15 3.32 -1.81 -3.23 116.42 120.72 1gxl h ASP 492 Ca 0.00 -0.80 0.06 0.00 0.02 0.00 0.00 57.03 56.31 1gxl h ASP 492 Cb 0.34 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 1gxl h ASP 492 CO 0.00 1.38 -0.11 0.24 -1.72 0.00 0.00 179.24 179.03 1gxl h MET 493 N -0.73 -0.06 -0.04 3.56 2.86 -1.50 -1.17 114.93 117.85 1gxl h MET 493 Ca -0.22 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 1gxl h MET 493 Cb 1.39 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.05 1gxl h MET 493 CO -0.03 -0.04 -0.17 0.00 1.06 0.00 0.00 176.91 177.73 1gxl h ARG 494 N -0.06 0.06 -0.75 1.72 3.08 -1.40 -2.66 114.38 114.38 1gxl h ARG 494 Ca 0.15 -0.01 -0.44 0.00 0.07 0.00 0.00 59.98 59.74 1gxl h ARG 494 Cb 0.28 -0.01 -0.25 0.00 0.08 0.00 0.00 29.97 30.07 1gxl h ARG 494 CO -0.33 0.23 0.28 -0.85 -1.07 0.00 0.00 179.97 178.23 1gxl n GLU 495 N -4.31 2.35 -1.67 0.04 0.28 -0.66 -4.99 120.64 111.68 1gxl n GLU 495 Ca -0.02 -3.27 -0.04 0.00 -0.16 0.00 0.00 57.16 53.67 1gxl n GLU 495 Cb 0.25 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 31.04 1gxl n GLU 495 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1gxl n TYR 496 N -1.04 -0.30 0.12 -1.84 4.02 -0.53 -4.86 117.16 112.72 1gxl n TYR 496 Ca 0.50 0.12 -0.11 0.00 -0.01 0.00 0.00 57.90 58.40 1gxl n TYR 496 Cb 1.15 -0.24 -0.07 0.00 -0.02 0.00 0.00 39.34 40.16 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 0.41 -0.35 0.00 -0.72 9.65 -1.78 -3.33 114.38 118.27 1gxl h ARG 497 Ca -0.07 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1gxl h ARG 497 Cb 0.17 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1gxl h ARG 497 CO 0.03 -0.01 -0.06 0.78 2.80 0.00 0.00 179.97 183.52 1gxl h GLY 498 N -0.91 0.00 -1.51 2.80 0.00 -1.89 -3.46 103.07 98.10 1gxl h GLY 498 Ca -0.04 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.77 1gxl h GLY 498 CO 0.06 0.00 0.33 -1.36 0.00 0.00 0.00 176.54 175.57 1gxl s PHE 499 N -3.74 2.23 1.00 5.60 0.40 -1.25 -5.00 117.98 117.21 1gxl s PHE 499 Ca 0.00 1.62 -0.12 0.00 -0.60 0.00 0.00 56.93 57.84 1gxl s PHE 499 Cb 0.10 -3.25 0.14 0.00 0.51 0.00 0.00 43.02 40.52 1gxl s PHE 499 CO 0.56 -2.22 0.82 -1.13 0.70 0.00 0.00 175.22 173.94 1gxl n SER 500 N -3.23 -0.96 -0.33 1.36 3.41 -1.26 -4.71 113.62 107.90 1gxl n SER 500 Ca 0.11 0.24 0.04 0.00 -0.26 0.00 0.00 58.87 59.00 1gxl n SER 500 Cb 0.52 -1.32 0.19 0.00 -0.26 0.00 0.00 64.21 63.34 1gxl n SER 500 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1gxl h ARG 501 N -1.98 0.93 0.40 4.33 1.12 -1.94 -0.96 114.38 116.28 1gxl h ARG 501 Ca -0.48 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.32 1gxl h ARG 501 Cb 1.29 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 31.05 1gxl h ARG 501 CO 0.40 0.61 -0.19 0.00 -3.11 0.00 0.00 179.97 177.68 1gxl h ALA 502 N 1.48 -0.54 -0.92 2.80 0.00 -1.86 -0.95 119.26 119.26 1gxl h ALA 502 Ca 0.43 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.36 1gxl h ALA 502 Cb 0.34 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1gxl h ALA 502 CO -0.23 -0.66 0.60 0.28 0.00 0.00 0.00 179.25 179.24 1gxl h VAL 503 N -0.83 0.70 0.18 0.00 2.07 -1.77 -1.24 116.25 115.36 1gxl h VAL 503 Ca -0.05 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1gxl h VAL 503 Cb 0.54 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1gxl h VAL 503 CO 0.09 0.09 -0.09 0.03 0.02 0.00 0.00 177.57 177.72 1gxl h ARG 504 N 0.51 -0.23 -0.64 1.57 3.08 -1.03 -2.68 114.38 114.95 1gxl h ARG 504 Ca 0.49 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.69 1gxl h ARG 504 Cb 1.07 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 31.07 1gxl h ARG 504 CO -0.22 0.11 -0.00 0.00 -1.07 0.00 0.00 179.97 178.79 1gxl h ALA 505 N 0.10 0.63 -0.46 0.04 0.00 -0.07 0.19 119.26 119.70 1gxl h ALA 505 Ca -0.02 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1gxl h ALA 505 Cb 0.46 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1gxl h ALA 505 CO 0.04 -0.40 0.31 0.28 0.00 0.00 0.00 179.25 179.48 1gxl h VAL 506 N 0.11 1.02 0.00 0.00 2.07 -1.25 -2.85 116.25 115.36 1gxl h VAL 506 Ca 0.34 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 1gxl h VAL 506 Cb 0.56 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1gxl h VAL 506 CO -0.56 0.09 -0.64 -0.26 0.02 0.00 0.00 177.57 176.22 1gxl h PHE 507 N 0.47 0.00 -0.04 1.57 -1.00 -0.30 -2.97 116.94 114.68 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 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1gxl h PHE 507 CO -0.00 0.14 0.00 -0.85 -1.61 0.00 0.00 178.31 175.99 1gxl n GLU 508 N -2.93 1.31 -0.12 1.51 0.28 -0.74 -2.30 120.64 117.65 1gxl n GLU 508 Ca 0.00 -0.46 0.05 0.00 -0.16 0.00 0.00 57.16 56.60 1gxl n GLU 508 Cb 0.61 -1.41 0.07 0.00 1.43 0.00 0.00 31.44 32.14 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 -0.38 1.34 0.18 3.44 -0.58 -1.19 -4.83 120.64 118.62 1gxl n GLU 509 Ca 0.18 -1.92 0.05 0.00 -0.42 0.00 0.00 57.16 55.05 1gxl n GLU 509 Cb 0.20 -1.15 0.25 0.00 -0.57 0.00 0.00 31.44 30.18 1gxl n GLU 509 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1gxl h LYS 510 N 0.00 0.00 -0.16 3.49 2.10 -1.29 0.68 116.57 121.39 1gxl h LYS 510 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.43 1gxl h LYS 510 Cb 0.96 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.30 1gxl h LYS 510 CO 0.00 0.00 -0.75 1.05 -2.00 0.00 0.00 179.45 177.75 1gxl h GLU 511 N 0.00 0.79 0.00 0.07 9.09 -1.88 -3.00 114.58 119.65 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 0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 1gxl h GLU 511 CO 0.00 1.24 0.08 0.00 0.05 0.00 0.00 179.01 180.39 1gxl h ARG 512 N 0.52 0.00 -2.20 1.06 3.08 -1.25 -3.26 114.38 112.33 1gxl h ARG 512 Ca -0.05 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.41 1gxl h ARG 512 Cb 1.39 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 31.02 1gxl h ARG 512 CO 0.16 0.00 -0.65 1.19 -1.07 0.00 0.00 179.97 179.59 1gxl n PHE 513 N -2.71 3.42 0.00 3.04 3.01 -1.13 -4.92 117.46 118.17 1gxl n PHE 513 Ca -0.02 -4.07 0.23 0.00 1.01 0.00 0.00 57.45 54.60 1gxl n PHE 513 Cb 0.13 -0.52 0.68 0.00 -0.01 0.00 0.00 39.48 39.76 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 3.82 0.00 0.00 -1.08 0.13 -1.73 0.37 132.00 133.51 1gxl h PRO 514 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1gxl h PRO 514 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1gxl h PRO 514 CO 0.80 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 1gxl n GLY 515 N -1.55 -1.21 3.77 1.56 0.00 -1.26 -4.86 105.19 101.63 1gxl n GLY 515 Ca 0.12 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.43 4.32 0.00 0.99 2.96 0.13 -0.44 118.68 124.21 1gxl s LEU 516 Ca 0.33 2.75 0.00 0.00 -0.22 0.00 0.00 54.13 57.00 1gxl s LEU 516 Cb 0.21 -3.75 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1gxl s LEU 516 CO 0.44 -0.73 0.00 0.52 -1.32 0.00 0.00 176.35 175.26 1gxl n VAL 517 N 0.46 0.00 -3.87 1.68 0.31 -0.32 -4.86 118.33 111.73 1gxl n VAL 517 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.27 1gxl n VAL 517 Cb 0.42 -0.07 -0.01 0.00 -0.91 0.00 0.00 33.84 33.26 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 0.31 -0.15 0.35 4.52 -1.08 -1.18 -4.99 116.67 114.45 1gxl s ASP 518 Ca 0.00 -0.79 -0.25 0.00 -0.52 0.00 0.00 52.55 50.99 1gxl s ASP 518 Cb 0.00 0.74 -0.10 0.00 -1.46 0.00 0.00 42.92 42.11 1gxl s ASP 518 CO 0.00 -1.41 0.99 0.68 0.52 0.00 0.00 175.17 175.95 1gxl s VAL 519 N -3.53 4.02 0.26 1.11 -7.23 -1.26 -1.18 120.40 112.59 1gxl s VAL 519 Ca 0.14 1.63 -0.12 0.00 -1.81 0.00 0.00 61.98 61.81 1gxl s VAL 519 Cb -0.05 -3.88 0.36 0.00 0.56 0.00 0.00 36.38 33.37 1gxl s VAL 519 CO 0.09 0.09 1.55 0.52 -0.31 0.00 0.00 175.10 177.03 1gxl n VAL 520 N 0.33 -0.47 0.00 1.32 0.31 -0.81 -0.80 118.33 118.21 1gxl n VAL 520 Ca 0.03 2.30 0.00 0.00 -0.01 0.00 0.00 64.34 66.66 1gxl n VAL 520 Cb 0.50 -3.12 0.00 0.00 -0.91 0.00 0.00 33.84 30.31 1gxl n VAL 520 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1gxl n SER 521 N -5.55 0.00 -0.45 4.52 3.41 -0.73 -0.50 113.62 114.33 1gxl n SER 521 Ca 0.13 0.31 0.07 0.00 -0.26 0.00 0.00 58.87 59.13 1gxl n SER 521 Cb 0.45 -0.31 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.29 1.83 -0.41 4.04 3.02 0.02 -4.47 115.26 118.01 1gxl n ASN 522 Ca 0.00 -1.42 0.04 0.00 -0.03 0.00 0.00 54.58 53.18 1gxl n ASN 522 Cb 0.08 0.25 0.07 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.30 2.16 -4.72 3.41 4.32 0.35 -4.97 117.00 117.85 1gxl n LEU 523 Ca 0.07 -1.46 -0.35 0.00 -0.02 0.00 0.00 56.01 54.25 1gxl n LEU 523 Cb 0.33 -0.08 -0.08 0.00 -1.62 0.00 0.00 43.42 41.97 1gxl n LEU 523 CO 0.14 0.49 -0.19 -0.63 -1.22 0.00 0.00 177.39 175.98 1gxl s ILE 524 N -0.84 5.31 -0.32 -0.08 1.01 -1.21 -4.73 121.20 120.34 1gxl s ILE 524 Ca 0.13 0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 1gxl s ILE 524 Cb 0.08 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1gxl s ILE 524 CO 0.11 0.45 0.29 -0.70 0.00 0.00 0.00 174.94 175.09 1gxl s GLU 525 N 0.30 3.70 -0.02 2.79 2.56 -0.99 -5.00 118.70 122.04 1gxl s GLU 525 Ca 0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 54.97 54.60 1gxl s GLU 525 Cb -0.11 -3.75 0.00 0.00 2.00 0.00 0.00 34.13 32.27 1gxl s GLU 525 CO -0.01 -0.38 0.10 0.54 -0.56 0.00 0.00 175.26 174.95 1gxl s VAL 526 N 1.88 0.04 0.22 3.70 0.11 -1.26 -2.15 120.40 122.94 1gxl s VAL 526 Ca 0.09 -0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 58.49 1gxl s VAL 526 Cb -0.17 -0.27 -0.09 0.00 -1.53 0.00 0.00 36.38 34.32 1gxl s VAL 526 CO 0.11 -0.20 1.36 -0.62 -3.33 0.00 0.00 175.10 172.42 1gxl s ASP 527 N -0.63 6.80 0.66 3.54 -1.08 -1.26 -4.84 116.67 119.86 1gxl s ASP 527 Ca -0.07 2.50 0.15 0.00 -0.52 0.00 0.00 52.55 54.61 1gxl s ASP 527 Cb -0.04 -2.61 0.80 0.00 -1.46 0.00 0.00 42.92 39.60 1gxl s ASP 527 CO 0.00 -0.59 1.45 -0.08 0.52 0.00 0.00 175.17 176.47 1gxl h GLU 528 N 5.24 0.00 0.00 4.34 4.81 -2.00 -0.37 114.58 126.60 1gxl h GLU 528 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1gxl h GLU 528 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1gxl h GLU 528 CO 0.77 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.68 1gxl n LYS 529 N -2.72 0.00 0.02 1.92 5.02 -1.26 -3.71 118.16 117.42 1gxl n LYS 529 Ca -0.00 0.50 0.01 0.00 -2.02 0.00 0.00 58.31 56.80 1gxl n LYS 529 Cb 0.73 -1.14 0.06 0.00 -0.02 0.00 0.00 35.03 34.66 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 -1.99 0.08 0.00 2.13 4.02 -0.50 -3.95 117.16 116.95 1gxl n TYR 530 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1gxl n TYR 530 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 39.34 38.79 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 -1.55 0.00 0.28 7.72 2.88 -0.27 -0.82 113.62 121.87 1gxl n SER 531 Ca -0.00 0.70 0.15 0.00 -1.33 0.00 0.00 58.87 58.38 1gxl n SER 531 Cb 0.04 -0.34 0.83 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.21 2.46 6.46 -1.83 -1.84 115.31 120.35 1gxl h LEU 532 Ca 0.00 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 1gxl h LEU 532 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1gxl h LEU 532 CO 0.00 0.07 -0.24 0.00 -0.62 0.00 0.00 178.44 177.64 1gxl h ALA 533 N 1.93 0.32 -0.15 1.25 0.00 -1.23 -2.69 119.26 118.69 1gxl h ALA 533 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1gxl h ALA 533 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1gxl h ALA 533 CO 0.01 0.29 -0.51 0.28 0.00 0.00 0.00 179.25 179.32 1gxl h VAL 534 N 0.23 1.33 -0.07 0.00 2.07 -1.00 -1.69 116.25 117.11 1gxl h VAL 534 Ca 0.03 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.83 1gxl h VAL 534 Cb 0.80 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1gxl h VAL 534 CO 0.06 0.53 0.06 -1.28 0.02 0.00 0.00 177.57 176.96 1gxl h SER 535 N 0.31 0.00 0.04 0.57 0.87 -1.25 -0.58 113.55 113.52 1gxl h SER 535 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1gxl h SER 535 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1gxl h SER 535 CO 0.09 0.00 -1.81 1.33 -0.53 0.00 0.00 176.83 175.91 1gxl n VAL 536 N -4.22 0.02 0.15 2.23 0.24 -1.02 -3.39 118.33 112.35 1gxl n VAL 536 Ca -0.01 -0.43 0.01 0.00 -2.04 0.00 0.00 64.34 61.87 1gxl n VAL 536 Cb 0.17 0.13 0.22 0.00 -1.47 0.00 0.00 33.84 32.89 1gxl n VAL 536 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1gxl h LEU 537 N 0.00 0.00 0.00 1.34 3.38 -0.34 -3.36 115.31 116.33 1gxl h LEU 537 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gxl h LEU 537 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1gxl h LEU 537 CO 0.00 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.25 1gxl n LEU 538 N -3.69 2.41 0.00 1.67 4.77 -0.33 -5.04 117.00 116.79 1gxl n LEU 538 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1gxl n LEU 538 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1gxl n LEU 538 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1gxl n GLY 539 N 2.56 0.92 0.34 -0.72 0.00 -1.22 -4.12 105.19 102.95 1gxl n GLY 539 Ca 0.00 -1.58 0.22 0.00 0.00 0.00 0.00 46.02 44.66 1gxl n GLY 539 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1gxl h GLY 540 N 0.00 0.00 2.00 -0.02 0.00 -1.96 0.08 103.07 103.17 1gxl h GLY 540 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gxl h GLY 540 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 1gxl n THR 541 N -3.16 1.08 -0.27 4.70 -1.04 -1.26 -2.08 114.28 112.26 1gxl n THR 541 Ca -0.03 0.58 0.03 0.00 -2.04 0.00 0.00 64.05 62.58 1gxl n THR 541 Cb 0.08 -1.55 0.25 0.00 -1.82 0.00 0.00 70.33 67.29 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 2.08 1.51 -0.81 2.41 0.00 -1.26 -2.42 119.26 120.77 1gxl h ALA 542 Ca 0.00 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 54.37 1gxl h ALA 542 Cb 0.10 -0.28 -0.28 0.00 0.00 0.00 0.00 17.79 17.33 1gxl h ALA 542 CO 0.00 0.39 0.32 0.00 0.00 0.00 0.00 179.25 179.96 1gxl n GLN 543 N -4.46 2.54 -2.85 0.00 10.64 -0.88 -1.77 117.38 120.60 1gxl n GLN 543 Ca 0.12 -3.35 -0.37 0.00 -1.83 0.00 0.00 57.00 51.56 1gxl n GLN 543 Cb 0.14 -2.15 -0.06 0.00 -0.86 0.00 0.00 30.24 27.30 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 -2.17 7.31 -0.25 2.61 0.02 -0.91 -4.68 114.94 116.86 1gxl s ASN 544 Ca 0.56 1.75 -0.15 0.00 -1.02 0.00 0.00 52.86 54.00 1gxl s ASN 544 Cb 0.46 -2.55 -0.04 0.00 0.02 0.00 0.00 41.25 39.15 1gxl s ASN 544 CO 0.03 -0.02 0.39 -0.63 0.02 0.00 0.00 177.10 176.89 1gxl s ILE 545 N -1.55 5.17 -0.09 0.60 1.09 0.39 -1.93 121.20 124.88 1gxl s ILE 545 Ca 0.47 0.63 -0.22 0.00 -1.10 0.00 0.00 60.65 60.44 1gxl s ILE 545 Cb -0.19 -3.72 -0.04 0.00 -1.06 0.00 0.00 42.46 37.46 1gxl s ILE 545 CO 0.24 0.17 0.65 -0.69 -0.10 0.00 0.00 174.94 175.21 1gxl s VAL 546 N 1.94 5.07 0.14 2.92 1.01 -0.32 -0.05 120.40 131.11 1gxl s VAL 546 Ca 0.16 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.52 1gxl s VAL 546 Cb -0.15 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1gxl s VAL 546 CO 0.09 0.25 -0.11 0.68 0.00 0.00 0.00 175.10 176.02 1gxl s VAL 547 N 0.87 1.18 0.08 2.92 -7.23 -1.00 -1.18 120.40 116.04 1gxl s VAL 547 Ca 0.35 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.37 1gxl s VAL 547 Cb -0.17 -1.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 1gxl s VAL 547 CO 0.16 -0.67 1.49 0.03 -0.31 0.00 0.00 175.10 175.80 1gxl h ARG 548 N 2.99 0.47 -4.23 4.82 2.47 -1.07 0.90 114.38 120.73 1gxl h ARG 548 Ca -0.37 -0.17 -0.16 0.00 -1.26 0.00 0.00 59.98 58.03 1gxl h ARG 548 Cb 1.19 -0.03 -0.14 0.00 -1.65 0.00 0.00 29.97 29.34 1gxl h ARG 548 CO 0.60 0.67 -0.52 0.54 0.56 0.00 0.00 179.97 181.82 1gxl s ASN 549 N -6.02 0.19 0.45 7.04 2.20 -1.26 -3.31 114.94 114.22 1gxl s ASN 549 Ca -0.14 -1.09 0.13 0.00 -0.94 0.00 0.00 52.86 50.82 1gxl s ASN 549 Cb 0.07 0.36 1.04 0.00 -2.00 0.00 0.00 41.25 40.72 1gxl s ASN 549 CO 0.76 -0.81 2.04 0.58 -2.94 0.00 0.00 177.10 176.73 1gxl h VAL 550 N 2.72 0.98 -0.50 3.54 2.07 -1.92 -2.27 116.25 120.87 1gxl h VAL 550 Ca -0.34 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1gxl h VAL 550 Cb 1.21 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1gxl h VAL 550 CO 0.54 0.06 0.24 0.44 0.02 0.00 0.00 177.57 178.87 1gxl h ASP 551 N 0.35 0.66 -0.84 0.57 5.19 -1.99 0.56 116.42 120.92 1gxl h ASP 551 Ca 0.18 -0.13 0.06 0.00 -0.62 0.00 0.00 57.03 56.51 1gxl h ASP 551 Cb 0.25 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.54 1gxl h ASP 551 CO -0.04 0.61 0.55 0.74 -3.12 0.00 0.00 179.24 177.98 1gxl h THR 552 N 0.66 1.06 0.27 0.35 2.02 -1.81 0.22 112.91 115.69 1gxl h THR 552 Ca 0.17 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1gxl h THR 552 Cb 0.13 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1gxl h THR 552 CO -0.02 0.17 -0.13 0.00 0.37 0.00 0.00 175.52 175.91 1gxl h ALA 553 N 1.54 -0.36 -0.90 6.16 0.00 -1.07 -0.87 119.26 123.76 1gxl h ALA 553 Ca 0.36 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1gxl h ALA 553 Cb 0.19 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1gxl h ALA 553 CO -0.13 -0.67 0.59 0.87 0.00 0.00 0.00 179.25 179.92 1gxl h LYS 554 N -0.44 1.05 0.03 0.00 1.57 -0.01 0.59 116.57 119.35 1gxl h LYS 554 Ca -0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1gxl h LYS 554 Cb 0.34 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1gxl h LYS 554 CO 0.06 0.69 -0.04 0.00 -0.57 0.00 0.00 179.45 179.59 1gxl h ALA 555 N 1.49 -0.06 -0.01 3.86 0.00 -0.26 -0.41 119.26 123.87 1gxl h ALA 555 Ca 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1gxl h ALA 555 Cb 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1gxl h ALA 555 CO -0.13 -0.54 0.00 0.82 0.00 0.00 0.00 179.25 179.41 1gxl h ILE 556 N -0.08 1.07 -0.87 0.00 2.04 -0.44 0.80 117.51 120.03 1gxl h ILE 556 Ca 0.01 -0.21 0.12 0.00 1.00 0.00 0.00 64.86 65.77 1gxl h ILE 556 Cb 0.09 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 1gxl h ILE 556 CO -0.02 0.06 0.56 0.58 0.00 0.00 0.00 178.15 179.33 1gxl h VAL 557 N -0.08 0.90 -0.11 1.67 2.07 -0.76 0.48 116.25 120.43 1gxl h VAL 557 Ca 0.00 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1gxl h VAL 557 Cb 0.09 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1gxl h VAL 557 CO -0.00 0.14 -0.36 -0.08 0.02 0.00 0.00 177.57 177.29 1gxl h GLU 558 N 0.77 0.43 -0.32 1.57 4.57 -0.63 -1.35 114.58 119.61 1gxl h GLU 558 Ca 0.42 -0.32 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1gxl h GLU 558 Cb 0.55 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 1gxl h GLU 558 CO -0.18 0.94 -0.01 0.35 -1.18 0.00 0.00 179.01 178.93 1gxl h PHE 559 N 0.00 -0.03 -0.52 0.92 3.57 0.24 -1.58 116.94 119.55 1gxl h PHE 559 Ca -0.01 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1gxl h PHE 559 Cb 0.98 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1gxl h PHE 559 CO 0.11 -0.06 0.02 -0.07 -2.23 0.00 0.00 178.31 176.08 1gxl h LEU 560 N 0.09 0.88 -2.13 0.59 3.38 -0.97 -2.84 115.31 114.30 1gxl h LEU 560 Ca 0.16 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1gxl h LEU 560 Cb 0.21 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1gxl h LEU 560 CO -0.27 0.97 -0.06 0.50 0.09 0.00 0.00 178.44 179.67 1gxl h LYS 561 N 0.78 0.00 0.23 1.13 3.64 -0.77 -0.97 116.57 120.60 1gxl h LYS 561 Ca 0.15 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1gxl h LYS 561 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1gxl h LYS 561 CO 0.02 0.06 -0.11 1.96 -2.27 0.00 0.00 179.45 179.11 1gxl h GLN 562 N 0.00 -0.29 -0.05 1.90 1.08 -1.07 -3.33 115.11 113.35 1gxl h GLN 562 Ca -0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1gxl h GLN 562 Cb 0.13 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1gxl h GLN 562 CO 0.01 -0.20 0.00 0.09 -0.95 0.00 0.00 178.83 177.78 1gxl n ASN 563 N -4.93 0.05 -4.41 1.46 4.13 -1.15 -4.88 115.26 105.54 1gxl n ASN 563 Ca -0.04 -2.00 -0.39 0.00 1.68 0.00 0.00 54.58 53.83 1gxl n ASN 563 Cb 0.12 -0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.28 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 -0.48 -1.62 0.00 3.52 1.02 -0.39 -4.80 120.64 117.90 1gxl n GLU 564 Ca 0.00 0.22 0.14 0.00 -0.02 0.00 0.00 57.16 57.50 1gxl n GLU 564 Cb 0.01 -4.76 0.81 0.00 -0.02 0.00 0.00 31.44 27.48 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 -4.22 2.52 0.00 0.62 0.00 -1.10 -5.01 120.51 113.32 1gxl n ALA 565 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1gxl n ALA 565 Cb 0.49 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.78 0.79 3.80 0.00 0.00 -1.26 -3.39 105.19 105.91 1gxl n GLY 566 Ca 0.20 -2.25 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 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 0.22 1.61 0.52 -1.26 -4.78 118.95 117.01 1gxl s ARG 567 Ca 0.00 -1.16 -0.14 0.00 -0.52 0.00 0.00 55.73 53.91 1gxl s ARG 567 Cb 0.00 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.99 1gxl s ARG 567 CO 0.00 0.33 0.47 0.14 0.02 0.00 0.00 175.30 176.26 1gxl s VAL 568 N -2.20 0.02 -0.17 3.52 -7.23 -1.26 -4.75 120.40 108.33 1gxl s VAL 568 Ca 0.34 -1.21 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 1gxl s VAL 568 Cb -0.07 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.94 1gxl s VAL 568 CO 0.25 -0.09 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.86 1gxl s THR 569 N -3.96 2.19 -0.12 5.32 2.01 -1.26 -5.05 115.64 114.76 1gxl s THR 569 Ca 0.17 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 1gxl s THR 569 Cb -0.00 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1gxl s THR 569 CO 0.04 0.53 0.08 -0.63 -0.69 0.00 0.00 174.62 173.95 1gxl s ILE 570 N 1.14 5.01 -0.55 1.82 1.01 -1.26 -0.47 121.20 127.91 1gxl s ILE 570 Ca 0.01 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1gxl s ILE 570 Cb -0.14 -3.18 0.14 0.00 0.01 0.00 0.00 42.46 39.29 1gxl s ILE 570 CO -0.08 0.58 0.32 -0.76 0.00 0.00 0.00 174.94 174.99 1gxl s LEU 571 N -0.67 4.75 -0.02 2.97 1.43 0.93 -4.90 118.68 123.17 1gxl s LEU 571 Ca 0.12 -2.87 -0.30 0.00 -1.03 0.00 0.00 54.13 50.05 1gxl s LEU 571 Cb -0.12 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1gxl s LEU 571 CO 0.02 -0.31 1.29 -2.16 0.23 0.00 0.00 176.35 175.42 1gxl s PRO 572 N -0.08 4.33 0.58 1.29 0.04 -1.26 -2.38 135.00 137.52 1gxl s PRO 572 Ca 0.16 1.81 0.27 0.00 0.04 0.00 0.00 61.00 63.29 1gxl s PRO 572 Cb -0.23 -3.53 1.67 0.00 0.04 0.00 0.00 34.50 32.45 1gxl s PRO 572 CO -0.02 -0.48 2.18 -0.07 0.04 0.00 0.00 177.00 178.65 1gxl h LEU 573 N 8.07 0.00 -1.81 -3.56 3.38 -0.88 -0.70 115.31 119.82 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 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1gxl h LEU 573 CO 0.88 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.51 1gxl n ASP 574 N -3.95 2.66 0.00 -0.43 5.75 -1.21 -4.39 116.55 114.98 1gxl n ASP 574 Ca -0.01 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 1gxl n ASP 574 Cb 0.18 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 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 0.71 0.31 -4.77 -2.12 7.94 -0.36 -4.95 117.00 113.78 1gxl n LEU 575 Ca 0.15 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.66 1gxl n LEU 575 Cb 0.46 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.41 1gxl n LEU 575 CO 0.12 0.05 0.94 0.27 -1.11 0.00 0.00 177.39 177.66 1gxl s ILE 576 N -1.23 2.68 -0.13 1.96 -5.25 -0.69 -4.99 121.20 113.56 1gxl s ILE 576 Ca 0.00 0.60 -0.23 0.00 -0.99 0.00 0.00 60.65 60.03 1gxl s ILE 576 Cb 0.00 -3.35 -0.03 0.00 2.95 0.00 0.00 42.46 42.03 1gxl s ILE 576 CO 0.00 0.08 0.73 -0.62 -1.79 0.00 0.00 174.94 173.33 1gxl s ASP 577 N -0.81 6.91 0.00 4.36 2.15 -1.26 -4.94 116.67 123.08 1gxl s ASP 577 Ca 0.58 1.11 0.12 0.00 0.43 0.00 0.00 52.55 54.78 1gxl s ASP 577 Cb -0.37 -2.41 0.15 0.00 -0.30 0.00 0.00 42.92 39.99 1gxl s ASP 577 CO 0.47 -0.24 0.97 0.61 -0.17 0.00 0.00 175.17 176.82 1gxl n GLY 578 N 3.36 0.47 3.75 2.66 0.00 -1.26 -4.07 105.19 110.10 1gxl n GLY 578 Ca 0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.00 5.39 -0.16 1.61 1.04 -1.26 -4.20 113.70 115.12 1gxl s SER 579 Ca 0.17 2.72 -0.27 0.00 0.48 0.00 0.00 55.95 59.05 1gxl s SER 579 Cb 0.11 -2.63 0.07 0.00 0.10 0.00 0.00 66.02 63.66 1gxl s SER 579 CO 0.15 -1.49 0.68 0.72 0.98 0.00 0.00 173.24 174.29 1gxl s PHE 580 N -1.32 -0.70 0.10 5.02 -0.71 -1.26 -4.84 117.98 114.27 1gxl s PHE 580 Ca 0.70 1.50 0.10 0.00 -1.04 0.00 0.00 56.93 58.20 1gxl s PHE 580 Cb -0.39 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1gxl s PHE 580 CO 0.47 -0.47 -0.26 0.54 -1.34 0.00 0.00 175.22 174.15 1gxl s ASN 581 N -0.36 3.22 0.03 1.98 2.20 -1.26 -5.01 114.94 115.74 1gxl s ASN 581 Ca -0.05 -0.70 -0.01 0.00 -0.94 0.00 0.00 52.86 51.16 1gxl s ASN 581 Cb -0.03 -0.23 -0.04 0.00 -2.00 0.00 0.00 41.25 38.95 1gxl s ASN 581 CO 0.05 0.19 0.19 -0.60 -2.94 0.00 0.00 177.10 173.99 1gxl s ARG 582 N -1.82 3.41 -0.01 3.55 6.06 -1.26 -4.87 118.95 124.01 1gxl s ARG 582 Ca 0.13 -0.40 0.06 0.00 -2.50 0.00 0.00 55.73 53.03 1gxl s ARG 582 Cb -0.10 -3.05 -0.03 0.00 0.06 0.00 0.00 34.95 31.83 1gxl s ARG 582 CO 0.05 0.64 -0.20 0.42 -2.50 0.00 0.00 175.30 173.71 1gxl s ILE 583 N -1.42 2.63 0.24 4.11 1.09 -1.26 -5.11 121.20 121.49 1gxl s ILE 583 Ca 0.31 -1.02 -0.30 0.00 -1.10 0.00 0.00 60.65 58.54 1gxl s ILE 583 Cb -0.13 -2.02 -0.09 0.00 -1.06 0.00 0.00 42.46 39.16 1gxl s ILE 583 CO 0.23 0.50 1.04 -0.55 -0.10 0.00 0.00 174.94 176.06 1gxl s SER 584 N -0.95 7.41 0.00 3.58 0.15 -1.26 -3.39 113.70 119.24 1gxl s SER 584 Ca 0.12 2.11 0.00 0.00 0.70 0.00 0.00 55.95 58.88 1gxl s SER 584 Cb -0.10 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1gxl s SER 584 CO 0.02 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1gxl n GLY 585 N 1.48 2.62 0.34 9.45 0.00 -1.26 -4.88 105.19 112.95 1gxl n GLY 585 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.83 -1.78 0.99 3.38 -1.99 0.39 115.31 117.14 1gxl h LEU 586 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1gxl h LEU 586 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1gxl h LEU 586 CO 0.00 0.45 0.00 1.05 0.09 0.00 0.00 178.44 180.03 1gxl h GLU 587 N 0.92 0.00 -0.61 1.13 9.09 -1.90 -0.40 114.58 122.82 1gxl h GLU 587 Ca 0.46 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.81 1gxl h GLU 587 Cb 0.44 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.50 1gxl h GLU 587 CO -0.26 0.00 0.07 0.09 0.05 0.00 0.00 179.01 178.96 1gxl n ASN 588 N -2.56 5.47 -4.91 3.06 3.02 0.14 -4.81 115.26 114.65 1gxl n ASN 588 Ca -0.01 -3.02 -0.29 0.00 -0.03 0.00 0.00 54.58 51.22 1gxl n ASN 588 Cb 0.10 -0.70 -0.04 0.00 -0.61 0.00 0.00 39.78 38.53 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 -2.84 3.55 -0.30 3.52 2.56 -0.16 -5.01 118.70 120.02 1gxl s GLU 589 Ca 0.55 -0.25 -0.37 0.00 0.00 0.00 0.00 54.97 54.89 1gxl s GLU 589 Cb 0.42 -2.87 -0.13 0.00 2.00 0.00 0.00 34.13 33.55 1gxl s GLU 589 CO 0.15 0.45 1.98 0.54 -0.56 0.00 0.00 175.26 177.83 1gxl n ARG 590 N -0.24 1.21 -1.00 4.30 5.12 -1.26 -1.89 116.66 122.89 1gxl n ARG 590 Ca -0.04 0.40 -0.00 0.00 -1.93 0.00 0.00 57.85 56.28 1gxl n ARG 590 Cb 0.53 -2.31 -0.00 0.00 -1.16 0.00 0.00 32.46 29.51 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 5.45 0.45 3.43 -0.13 0.00 -1.26 -4.85 105.19 108.29 1gxl n GLY 591 Ca 0.34 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.89 -1.08 -1.69 1.61 7.35 -0.79 -1.57 117.46 118.40 1gxl n PHE 592 Ca -0.00 0.22 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 1gxl n PHE 592 Cb 0.06 -1.77 0.00 0.00 0.35 0.00 0.00 39.48 38.11 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 -3.94 0.00 0.00 -2.13 0.31 -0.77 -4.71 118.33 107.09 1gxl n VAL 593 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1gxl n VAL 593 Cb 0.55 0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.93 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 2.50 3.79 2.92 0.00 -1.24 -4.87 105.19 108.29 1gxl n GLY 594 Ca 0.00 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.59 3.83 0.26 1.61 1.51 -1.26 -1.92 117.35 118.80 1gxl s TYR 595 Ca 0.00 1.58 -0.04 0.00 -1.01 0.00 0.00 57.07 57.60 1gxl s TYR 595 Cb 0.00 -2.74 0.32 0.00 -0.11 0.00 0.00 41.96 39.44 1gxl s TYR 595 CO 0.00 0.46 1.89 0.00 -1.11 0.00 0.00 175.55 176.79 1gxl h ALA 596 N 4.04 1.26 -0.58 3.71 0.00 -1.85 -2.37 119.26 123.47 1gxl h ALA 596 Ca -0.47 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.45 1gxl h ALA 596 Cb 1.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1gxl h ALA 596 CO 0.66 0.61 0.40 -0.24 0.00 0.00 0.00 179.25 180.67 1gxl h VAL 597 N 1.15 0.80 0.00 0.00 3.04 -1.93 -1.07 116.25 118.24 1gxl h VAL 597 Ca 0.29 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 1gxl h VAL 597 Cb 0.01 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 29.86 1gxl h VAL 597 CO -0.05 0.04 0.00 0.47 -1.01 0.00 0.00 177.57 177.02 1gxl n ASP 598 N -4.44 0.00 -0.59 3.17 8.00 -0.89 -2.37 116.55 119.43 1gxl n ASP 598 Ca 0.10 -0.39 0.06 0.00 0.71 0.00 0.00 54.79 55.27 1gxl n ASP 598 Cb 0.50 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.76 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 3.03 -4.04 0.64 4.32 -0.41 -5.02 117.00 114.55 1gxl n LEU 599 Ca 0.08 -2.33 -0.08 0.00 -0.02 0.00 0.00 56.01 53.67 1gxl n LEU 599 Cb 0.04 -0.29 -0.10 0.00 -1.62 0.00 0.00 43.42 41.45 1gxl n LEU 599 CO 0.06 0.68 -0.31 -0.69 -1.22 0.00 0.00 177.39 175.91 1gxl s VAL 600 N -1.59 0.19 0.01 4.08 1.01 -1.00 -4.72 120.40 118.39 1gxl s VAL 600 Ca 0.26 -1.59 0.04 0.00 0.00 0.00 0.00 61.98 60.69 1gxl s VAL 600 Cb 0.17 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1gxl s VAL 600 CO 0.11 -0.88 -0.13 -0.54 0.00 0.00 0.00 175.10 173.66 1gxl s LYS 601 N -3.59 0.97 0.01 2.72 -0.14 -0.91 -5.01 119.74 113.78 1gxl s LYS 601 Ca 0.04 -0.57 0.03 0.00 -1.36 0.00 0.00 55.97 54.10 1gxl s LYS 601 Cb 0.05 -0.95 -0.01 0.00 -1.68 0.00 0.00 37.83 35.24 1gxl s LYS 601 CO -0.09 0.25 -0.10 -0.06 -0.76 0.00 0.00 175.35 174.59 1gxl s PHE 602 N -0.53 0.88 0.00 3.18 0.40 -1.26 -2.35 117.98 118.30 1gxl s PHE 602 Ca 0.03 -0.23 -0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1gxl s PHE 602 Cb -0.06 -0.55 -0.09 0.00 0.51 0.00 0.00 43.02 42.83 1gxl s PHE 602 CO 0.00 -0.01 1.57 -0.35 0.70 0.00 0.00 175.22 177.13 1gxl n PRO 603 N 2.49 0.69 0.00 0.24 -0.04 -1.26 -4.81 135.00 132.31 1gxl n PRO 603 Ca -0.15 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1gxl n PRO 603 Cb 0.56 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 2.80 0.00 0.00 3.54 3.41 -1.26 -3.46 113.62 118.65 1gxl n SER 604 Ca 0.15 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.78 1gxl n SER 604 Cb 0.32 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.07 4.04 5.75 -1.26 -0.35 116.55 124.66 1gxl n ASP 605 Ca 0.00 -0.39 0.02 0.00 -0.01 0.00 0.00 54.79 54.41 1gxl n ASP 605 Cb 0.00 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 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 -0.75 1.34 -0.30 -2.12 4.77 -1.22 -4.85 117.00 113.86 1gxl n LEU 606 Ca 0.03 -1.60 0.12 0.00 -0.03 0.00 0.00 56.01 54.53 1gxl n LEU 606 Cb 0.01 -0.08 0.28 0.00 -2.33 0.00 0.00 43.42 41.30 1gxl n LEU 606 CO 0.02 0.39 1.04 -0.08 -1.33 0.00 0.00 177.39 177.43 1gxl h GLU 607 N 0.00 0.40 -0.03 3.23 4.81 -0.99 -0.98 114.58 121.02 1gxl h GLU 607 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1gxl h GLU 607 Cb 0.83 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1gxl h GLU 607 CO 0.00 0.26 0.02 -0.39 -0.73 0.00 0.00 179.01 178.17 1gxl h VAL 608 N 0.41 1.05 -1.31 0.32 -1.51 -1.89 -1.38 116.25 111.94 1gxl h VAL 608 Ca 0.53 -0.13 0.40 0.00 -1.23 0.00 0.00 66.70 66.27 1gxl h VAL 608 Cb 0.98 1.08 -0.10 0.00 -2.13 0.00 0.00 31.29 31.12 1gxl h VAL 608 CO -0.51 0.04 0.87 0.25 -1.23 0.00 0.00 177.57 176.99 1gxl h LEU 609 N -0.01 0.23 0.00 4.19 5.85 -1.56 0.52 115.31 124.53 1gxl h LEU 609 Ca 0.01 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1gxl h LEU 609 Cb 0.05 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1gxl h LEU 609 CO -0.00 -0.07 -0.00 1.23 -0.34 0.00 0.00 178.44 179.26 1gxl h GLY 610 N 0.14 -0.01 2.00 3.75 0.00 -0.98 -1.18 103.07 106.79 1gxl h GLY 610 Ca 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 48.04 1gxl h GLY 610 CO -0.28 -0.00 -0.15 -1.33 0.00 0.00 0.00 176.54 174.78 1gxl h GLY 611 N -0.49 0.00 0.35 4.60 0.00 0.24 0.78 103.07 108.54 1gxl h GLY 611 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gxl h GLY 611 CO 0.00 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 173.78 1gxl h PHE 612 N 0.00 0.01 -0.13 5.60 3.57 -0.41 -3.35 116.94 122.23 1gxl h PHE 612 Ca -0.00 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 1gxl h PHE 612 Cb 0.45 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1gxl h PHE 612 CO 0.00 0.66 -0.71 -0.07 -2.23 0.00 0.00 178.31 175.96 1gxl h LEU 613 N -0.65 0.68 0.00 0.59 3.38 -0.97 -3.48 115.31 114.87 1gxl h LEU 613 Ca -0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1gxl h LEU 613 Cb 0.66 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1gxl h LEU 613 CO 0.00 1.19 0.00 0.49 0.09 0.00 0.00 178.44 180.21 1gxl n PHE 614 N -3.90 0.00 0.00 1.13 3.01 0.25 -4.87 117.46 113.08 1gxl n PHE 614 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1gxl n PHE 614 Cb 0.70 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 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 1.57 1.29 0.46 1.37 0.00 -1.26 -4.26 105.19 104.37 1gxl n GLY 615 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.35 2.13 -4.82 1.61 4.05 -1.26 -4.39 115.26 112.93 1gxl n ASN 616 Ca 0.00 -1.58 -0.29 0.00 0.45 0.00 0.00 54.58 53.15 1gxl n ASN 616 Cb 0.00 -0.06 -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 -0.90 5.77 0.01 1.20 0.01 -1.26 -2.05 113.70 116.48 1gxl s SER 617 Ca 0.15 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.46 1gxl s SER 617 Cb 0.09 -1.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.70 1gxl s SER 617 CO 0.13 0.14 -0.03 -0.69 0.41 0.00 0.00 173.24 173.21 1gxl s VAL 618 N -1.50 0.19 -0.12 3.43 1.01 0.04 -2.70 120.40 120.75 1gxl s VAL 618 Ca 0.31 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1gxl s VAL 618 Cb -0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1gxl s VAL 618 CO 0.24 -0.25 0.02 -0.69 0.00 0.00 0.00 175.10 174.42 1gxl s VAL 619 N -0.84 4.45 0.28 2.92 1.01 -0.81 -1.10 120.40 126.31 1gxl s VAL 619 Ca -0.08 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1gxl s VAL 619 Cb -0.06 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1gxl s VAL 619 CO -0.00 0.55 0.05 1.33 0.00 0.00 0.00 175.10 177.03 1gxl n VAL 620 N 2.73 0.00 -0.04 2.92 0.24 0.42 -1.84 118.33 122.75 1gxl n VAL 620 Ca -0.18 -1.47 -0.01 0.00 -2.04 0.00 0.00 64.34 60.64 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 -6.07 7.34 5.08 -1.57 -2.60 114.58 116.76 1gxl h GLU 621 Ca -0.22 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.57 1gxl h GLU 621 Cb 0.76 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.87 1gxl h GLU 621 CO 0.36 0.00 -0.76 0.95 -1.00 0.00 0.00 179.01 178.56 1gxl s THR 622 N -1.57 2.25 0.59 1.13 -4.23 -1.26 -2.00 115.64 110.55 1gxl s THR 622 Ca -0.02 -2.30 0.29 0.00 -1.18 0.00 0.00 61.69 58.47 1gxl s THR 622 Cb 0.00 -2.20 0.36 0.00 1.34 0.00 0.00 72.50 72.00 1gxl s THR 622 CO 0.04 -0.42 2.17 0.25 -0.54 0.00 0.00 174.62 176.12 1gxl h LEU 623 N 2.47 0.00 -0.21 4.79 5.85 -1.97 -0.19 115.31 126.05 1gxl h LEU 623 Ca -0.40 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.15 1gxl h LEU 623 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1gxl h LEU 623 CO 0.59 0.00 -0.52 0.44 -0.34 0.00 0.00 178.44 178.61 1gxl h ASP 624 N 0.00 0.82 -0.50 1.25 5.19 -1.99 0.10 116.42 121.30 1gxl h ASP 624 Ca 0.05 -0.57 0.03 0.00 -0.62 0.00 0.00 57.03 55.92 1gxl h ASP 624 Cb 0.26 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.49 1gxl h ASP 624 CO -0.00 1.24 0.27 0.44 -3.12 0.00 0.00 179.24 178.08 1gxl h ASP 625 N 0.44 0.42 0.36 6.45 3.45 -1.41 -0.46 116.42 125.67 1gxl h ASP 625 Ca -0.01 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 1gxl h ASP 625 Cb 1.14 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.82 1gxl h ASP 625 CO 0.11 0.29 -0.35 0.00 -1.57 0.00 0.00 179.24 177.72 1gxl h ALA 626 N 1.25 -0.77 -0.58 3.45 0.00 -0.93 -0.60 119.26 121.09 1gxl h ALA 626 Ca 0.21 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1gxl h ALA 626 Cb 0.08 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1gxl h ALA 626 CO -0.13 -0.97 0.29 0.82 0.00 0.00 0.00 179.25 179.27 1gxl h ILE 627 N -0.74 0.94 0.55 0.00 2.04 -0.48 0.21 117.51 120.03 1gxl h ILE 627 Ca -0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1gxl h ILE 627 Cb 0.66 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1gxl h ILE 627 CO -0.06 0.10 -0.41 -0.09 0.00 0.00 0.00 178.15 177.70 1gxl h ARG 628 N 0.56 -0.90 -0.34 2.37 2.43 -0.83 -1.99 114.38 115.68 1gxl h ARG 628 Ca 0.26 0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.57 1gxl h ARG 628 Cb 0.18 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 29.86 1gxl h ARG 628 CO -0.18 -0.60 -0.19 1.98 -1.51 0.00 0.00 179.97 179.47 1gxl h MET 629 N -0.93 -0.13 -0.34 0.20 4.05 -0.83 0.17 114.93 117.12 1gxl h MET 629 Ca -0.06 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.46 1gxl h MET 629 Cb 0.78 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.60 1gxl h MET 629 CO 0.02 -0.09 0.29 -0.22 0.23 0.00 0.00 176.91 177.14 1gxl h LYS 630 N -0.14 0.00 0.13 0.39 1.63 -0.78 -1.53 116.57 116.27 1gxl h LYS 630 Ca 0.17 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.67 1gxl h LYS 630 Cb 0.41 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1gxl h LYS 630 CO -0.43 0.00 -1.48 0.87 -3.45 0.00 0.00 179.45 174.96 1gxl h LYS 631 N 0.00 0.27 0.71 1.90 1.57 -0.24 -2.33 116.57 118.45 1gxl h LYS 631 Ca 0.16 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1gxl h LYS 631 Cb 0.73 0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.22 1gxl h LYS 631 CO -0.00 1.15 -0.34 -0.22 -0.57 0.00 0.00 179.45 179.47 1gxl h LYS 632 N 0.07 -0.92 0.00 3.15 3.64 -0.25 -3.27 116.57 118.99 1gxl h LYS 632 Ca -0.23 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1gxl h LYS 632 Cb 2.02 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 34.05 1gxl h LYS 632 CO 0.18 -0.61 -0.19 1.88 -2.27 0.00 0.00 179.45 178.43 1gxl h TYR 633 N -1.25 0.00 -6.73 1.91 -1.99 -1.61 -3.47 116.97 103.83 1gxl h TYR 633 Ca -0.10 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.33 1gxl h TYR 633 Cb 0.73 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.41 1gxl h TYR 633 CO 0.00 0.00 -0.50 -2.13 -0.00 0.00 0.00 178.16 175.53 1gxl n ARG 634 N -2.91 -0.77 0.00 4.88 3.00 -0.88 -4.90 116.66 115.08 1gxl n ARG 634 Ca 0.03 -0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1gxl n ARG 634 Cb 0.52 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.82 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 -2.92 0.00 -2.25 6.15 4.77 -1.26 -5.04 117.00 116.45 1gxl n LEU 635 Ca -0.10 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.62 1gxl n LEU 635 Cb 0.31 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1gxl n LEU 635 CO 0.39 0.00 0.30 -0.46 -1.33 0.00 0.00 177.39 176.29 1gxl n ASN 636 N 0.00 5.08 -4.82 -1.43 2.04 -1.26 -4.70 115.26 110.18 1gxl n ASN 636 Ca 0.00 -3.74 -0.38 0.00 -0.44 0.00 0.00 54.58 50.02 1gxl n ASN 636 Cb 0.00 -0.45 -0.06 0.00 -2.53 0.00 0.00 39.78 36.74 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 -5.00 5.05 0.29 5.53 -4.23 -1.26 -4.56 115.64 111.46 1gxl s THR 637 Ca 0.51 0.85 -0.25 0.00 -1.18 0.00 0.00 61.69 61.62 1gxl s THR 637 Cb 0.41 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 70.43 1gxl s THR 637 CO -0.07 0.54 0.89 -0.13 -0.54 0.00 0.00 174.62 175.31 1gxl s ARG 638 N -0.83 4.51 -0.04 3.99 1.81 -0.87 -4.01 118.95 123.52 1gxl s ARG 638 Ca 0.24 1.22 0.00 0.00 -1.72 0.00 0.00 55.73 55.47 1gxl s ARG 638 Cb -0.16 -2.85 0.03 0.00 -0.45 0.00 0.00 34.95 31.51 1gxl s ARG 638 CO 0.13 0.33 -0.01 0.42 -0.68 0.00 0.00 175.30 175.48 1gxl s ILE 639 N -1.56 0.32 -0.05 1.52 1.01 -0.75 -0.78 121.20 120.91 1gxl s ILE 639 Ca 0.48 0.03 0.06 0.00 0.00 0.00 0.00 60.65 61.21 1gxl s ILE 639 Cb -0.19 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 1gxl s ILE 639 CO 0.23 0.19 -0.23 0.00 0.00 0.00 0.00 174.94 175.14 1gxl s ALA 640 N 1.13 2.28 0.62 9.38 0.00 -0.26 -0.47 121.76 134.45 1gxl s ALA 640 Ca -0.08 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1gxl s ALA 640 Cb -0.14 -0.74 0.05 0.00 0.00 0.00 0.00 23.12 22.29 1gxl s ALA 640 CO -0.02 0.45 0.87 0.95 0.00 0.00 0.00 175.76 178.02 1gxl s THR 641 N -0.31 2.50 -0.22 0.00 -4.23 -0.51 -0.44 115.64 112.42 1gxl s THR 641 Ca 0.01 -0.51 0.27 0.00 -1.18 0.00 0.00 61.69 60.28 1gxl s THR 641 Cb -0.13 -2.99 0.35 0.00 1.34 0.00 0.00 72.50 71.08 1gxl s THR 641 CO 0.02 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 175.78 1gxl h LEU 642 N -0.21 0.00 0.00 4.79 3.38 -0.99 -2.85 115.31 119.43 1gxl h LEU 642 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1gxl h LEU 642 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1gxl h LEU 642 CO 0.55 0.01 -0.11 0.47 0.09 0.00 0.00 178.44 179.45 1gxl n ASP 643 N -3.10 0.75 0.00 -0.43 9.92 -1.26 -4.93 116.55 117.50 1gxl n ASP 643 Ca 0.03 0.49 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 1gxl n ASP 643 Cb 0.45 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1gxl n ASP 643 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1gxl n GLY 644 N 1.33 0.91 3.79 0.44 0.00 -1.07 -5.00 105.19 105.58 1gxl n GLY 644 Ca 0.05 0.00 -0.31 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 -0.29 2.32 -0.04 1.61 8.01 -1.26 -4.80 118.70 124.24 1gxl s GLU 645 Ca 0.00 0.91 -0.04 0.00 0.01 0.00 0.00 54.97 55.86 1gxl s GLU 645 Cb 0.00 -1.92 0.01 0.00 -4.31 0.00 0.00 34.13 27.91 1gxl s GLU 645 CO 0.00 -1.53 0.11 -0.51 0.01 0.00 0.00 175.26 173.34 1gxl s LEU 646 N -5.79 1.55 -0.20 1.80 1.02 -0.16 -1.42 118.68 115.48 1gxl s LEU 646 Ca 0.60 0.22 0.01 0.00 0.02 0.00 0.00 54.13 54.99 1gxl s LEU 646 Cb -0.15 0.38 0.03 0.00 0.02 0.00 0.00 46.19 46.47 1gxl s LEU 646 CO 0.55 -0.04 -0.16 -0.63 0.02 0.00 0.00 176.35 176.10 1gxl s ILE 647 N 0.09 1.94 0.94 -0.59 1.09 0.38 -0.83 121.20 124.22 1gxl s ILE 647 Ca -0.00 -1.05 -0.11 0.00 -1.10 0.00 0.00 60.65 58.38 1gxl s ILE 647 Cb -0.01 -1.87 0.16 0.00 -1.06 0.00 0.00 42.46 39.68 1gxl s ILE 647 CO -0.00 0.34 1.09 -0.94 -0.10 0.00 0.00 174.94 175.33 1gxl s SER 648 N 1.30 2.92 0.33 3.58 1.04 0.21 -1.81 113.70 121.28 1gxl s SER 648 Ca 0.01 1.69 0.07 0.00 0.48 0.00 0.00 55.95 58.20 1gxl s SER 648 Cb -0.15 -2.33 0.74 0.00 0.10 0.00 0.00 66.02 64.39 1gxl s SER 648 CO -0.10 -3.02 1.86 1.23 0.98 0.00 0.00 173.24 174.19 1gxl h GLY 649 N -1.81 1.34 0.18 7.32 0.00 -1.80 -0.53 103.07 107.76 1gxl h GLY 649 Ca -0.50 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1gxl h GLY 649 CO 0.50 0.10 -0.08 0.54 0.00 0.00 0.00 176.54 177.61 1gxl n ARG 650 N -4.58 1.19 0.00 4.80 1.74 -1.26 -4.26 116.66 114.29 1gxl n ARG 650 Ca 0.18 -0.58 0.00 0.00 -0.77 0.00 0.00 57.85 56.68 1gxl n ARG 650 Cb 0.44 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 1.21 0.90 3.73 -0.13 0.00 -0.21 -5.09 105.19 105.60 1gxl n GLY 651 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 3.43 -0.25 4.61 0.00 -1.26 -4.72 121.76 121.57 1gxl s ALA 652 Ca 0.00 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 1gxl s ALA 652 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1gxl s ALA 652 CO 0.00 -0.36 0.08 0.42 0.00 0.00 0.00 175.76 175.90 1gxl s ILE 653 N 0.06 4.48 -0.11 0.00 1.01 -1.26 -0.62 121.20 124.75 1gxl s ILE 653 Ca 0.53 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 61.06 1gxl s ILE 653 Cb -0.32 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 1gxl s ILE 653 CO 0.35 0.34 -0.10 -0.89 0.00 0.00 0.00 174.94 174.64 1gxl s THR 654 N 1.53 3.35 0.08 2.92 2.01 -0.01 -4.98 115.64 120.54 1gxl s THR 654 Ca 0.06 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 1gxl s THR 654 Cb -0.15 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 69.98 1gxl s THR 654 CO 0.04 0.54 0.29 0.61 -0.69 0.00 0.00 174.62 175.42 1gxl n GLY 655 N 3.13 1.31 0.00 4.40 0.00 -1.26 -0.99 105.19 111.78 1gxl n GLY 655 Ca -0.18 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.20 0.69 2.75 -0.02 0.00 -1.26 -5.03 105.19 102.11 1gxl n GLY 656 Ca -0.01 -2.10 -0.17 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.26 -0.04 0.42 1.61 6.06 -1.26 -4.97 118.95 119.51 1gxl s ARG 657 Ca 0.00 0.27 -0.22 0.00 -2.50 0.00 0.00 55.73 53.28 1gxl s ARG 657 Cb 0.00 -0.33 -0.10 0.00 0.06 0.00 0.00 34.95 34.58 1gxl s ARG 657 CO 0.00 -0.23 1.00 -1.83 -2.50 0.00 0.00 175.30 171.74 1gxl s GLU 658 N 1.47 4.16 0.07 5.12 1.03 -1.26 -4.99 118.70 124.31 1gxl s GLU 658 Ca -0.04 1.33 -0.26 0.00 0.03 0.00 0.00 54.97 56.03 1gxl s GLU 658 Cb -0.13 -2.36 -0.11 0.00 -0.80 0.00 0.00 34.13 30.73 1gxl s GLU 658 CO -0.03 -0.11 1.41 1.49 -1.33 0.00 0.00 175.26 176.69 1gxl h GLU 659 N 2.20 -0.57 -6.48 -4.83 4.57 -2.04 -3.37 114.58 104.06 1gxl h GLU 659 Ca -0.49 0.04 -0.55 0.00 -1.18 0.00 0.00 59.36 57.18 1gxl h GLU 659 Cb 1.20 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 29.86 1gxl h GLU 659 CO 0.62 -0.38 1.05 0.50 -1.18 0.00 0.00 179.01 179.61 1gxl s ARG 660 N -5.06 3.41 0.00 1.92 3.52 -1.26 -4.90 118.95 116.58 1gxl s ARG 660 Ca -0.12 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 1gxl s ARG 660 Cb 0.04 -4.07 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 1gxl s ARG 660 CO 0.45 -1.81 0.95 0.45 -0.81 0.00 0.00 175.30 174.53 1gxl n SER 661 N 9.08 0.00 -0.41 -2.12 2.88 -1.26 -4.83 113.62 116.95 1gxl n SER 661 Ca 0.11 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1gxl n SER 661 Cb 0.49 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1gxl n SER 661 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1gxl n SER 662 N -2.31 -0.14 -3.98 -3.46 7.64 -1.26 -4.93 113.62 105.18 1gxl n SER 662 Ca 0.00 0.01 -0.20 0.00 1.01 0.00 0.00 58.87 59.69 1gxl n SER 662 Cb 0.00 -0.03 -0.16 0.00 -1.01 0.00 0.00 64.21 63.01 1gxl n SER 662 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1gxl s ASN 663 N -0.01 1.15 0.00 6.43 0.02 -1.26 -5.12 114.94 116.14 1gxl s ASN 663 Ca 0.00 -0.18 0.00 0.00 -1.02 0.00 0.00 52.86 51.66 1gxl s ASN 663 Cb 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 41.25 40.93 1gxl s ASN 663 CO 0.00 0.05 0.00 0.52 0.02 0.00 0.00 177.10 177.69 1gxl n VAL 664 N 3.39 0.00 0.00 1.60 0.31 -1.26 -3.93 118.33 118.44 1gxl n VAL 664 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1gxl n VAL 664 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.00 0.00 -0.21 3.52 3.72 -1.26 -4.80 117.46 118.43 1gxl n PHE 665 Ca 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 1gxl n PHE 665 Cb 0.00 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.65 1gxl n PHE 665 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1gxl h GLU 666 N 2.15 0.11 -0.17 -1.08 5.08 -1.99 0.59 114.58 119.27 1gxl h GLU 666 Ca 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1gxl h GLU 666 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1gxl h GLU 666 CO 0.00 0.07 -0.07 0.00 -1.00 0.00 0.00 179.01 178.01 1gxl h ARG 667 N 0.11 0.35 -0.85 2.33 3.08 -1.93 0.24 114.38 117.71 1gxl h ARG 667 Ca 0.33 -0.15 0.13 0.00 0.07 0.00 0.00 59.98 60.37 1gxl h ARG 667 Cb 0.54 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.49 1gxl h ARG 667 CO -0.55 0.65 0.45 -0.09 -1.07 0.00 0.00 179.97 179.36 1gxl h ARG 668 N 0.04 0.65 0.27 0.04 9.65 -1.70 -0.00 114.38 123.33 1gxl h ARG 668 Ca 0.04 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1gxl h ARG 668 Cb 0.53 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1gxl h ARG 668 CO 0.02 0.43 -0.13 0.82 2.80 0.00 0.00 179.97 183.91 1gxl h ILE 669 N 0.67 0.00 -0.95 1.20 1.08 0.40 -3.16 117.51 116.75 1gxl h ILE 669 Ca 0.45 -0.21 0.36 0.00 -0.39 0.00 0.00 64.86 65.08 1gxl h ILE 669 Cb 0.59 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.20 1gxl h ILE 669 CO -0.33 0.00 0.56 1.17 -0.69 0.00 0.00 178.15 178.86 1gxl n LYS 670 N -3.56 -0.04 -0.15 2.37 3.00 0.82 0.43 118.16 121.03 1gxl n LYS 670 Ca -0.05 1.09 -0.11 0.00 -0.00 0.00 0.00 58.31 59.25 1gxl n LYS 670 Cb 0.14 -2.03 -0.01 0.00 0.00 0.00 0.00 35.03 33.13 1gxl n LYS 670 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1gxl h LEU 671 N 0.00 0.81 -0.41 3.14 3.38 -0.98 -1.30 115.31 119.95 1gxl h LEU 671 Ca 0.71 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 1gxl h LEU 671 Cb 2.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1gxl h LEU 671 CO -0.53 0.97 -0.31 0.11 0.09 0.00 0.00 178.44 178.78 1gxl h LYS 672 N 0.64 0.00 -0.22 1.13 1.79 -0.00 0.55 116.57 120.46 1gxl h LYS 672 Ca 0.11 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.48 1gxl h LYS 672 Cb 0.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1gxl h LYS 672 CO 0.04 0.31 -0.30 0.45 -1.08 0.00 0.00 179.45 178.87 1gxl h HIS 673 N 0.00 0.50 0.02 -1.35 3.86 -1.04 0.27 115.15 117.41 1gxl h HIS 673 Ca -0.00 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.00 1gxl h HIS 673 Cb 1.08 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 1gxl h HIS 673 CO 0.00 0.70 -0.49 -0.07 0.86 0.00 0.00 177.93 178.93 1gxl h LEU 674 N 0.39 0.05 -0.80 2.43 3.38 -0.82 -2.12 115.31 117.81 1gxl h LEU 674 Ca 0.05 -0.85 0.15 0.00 0.09 0.00 0.00 57.88 57.32 1gxl h LEU 674 Cb 0.72 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 1gxl h LEU 674 CO 0.05 1.20 0.37 -0.08 0.09 0.00 0.00 178.44 180.07 1gxl h GLU 675 N -0.92 0.51 0.00 1.13 4.57 0.11 -0.35 114.58 119.64 1gxl h GLU 675 Ca -0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1gxl h GLU 675 Cb 1.17 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1gxl h GLU 675 CO -0.04 0.34 0.00 0.94 -1.18 0.00 0.00 179.01 179.06 1gxl n GLN 676 N -4.94 0.00 0.00 1.92 7.27 0.94 -2.45 117.38 120.12 1gxl n GLN 676 Ca 0.16 0.38 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1gxl n GLN 676 Cb 0.43 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 31.81 1gxl n GLN 676 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1gxl n GLU 677 N -1.48 0.00 -2.50 3.69 2.13 -0.80 -4.15 120.64 117.53 1gxl n GLU 677 Ca 0.00 0.15 -0.40 0.00 0.66 0.00 0.00 57.16 57.56 1gxl n GLU 677 Cb 0.00 -1.78 -0.01 0.00 0.27 0.00 0.00 31.44 29.92 1gxl n GLU 677 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 1gxl s MET 678 N -2.21 3.70 0.00 5.31 1.75 -0.21 -5.06 119.30 122.59 1gxl s MET 678 Ca 0.00 -1.69 0.00 0.00 -1.25 0.00 0.00 55.69 52.75 1gxl s MET 678 Cb 0.00 -5.46 0.00 0.00 2.84 0.00 0.00 34.83 32.21 1gxl s MET 678 CO 0.00 -2.48 0.00 0.39 -0.65 0.00 0.00 175.02 172.28