#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxl h GLN 483 N 0.00 0.00 0.00 0.38 7.50 -2.02 -3.35 115.11 117.63 1gxl h GLN 483 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1gxl h GLN 483 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1gxl h GLN 483 CO 0.00 0.00 0.00 0.34 -1.50 0.00 0.00 178.83 177.67 1gxl n PHE 484 N -2.96 0.00 0.26 2.96 7.35 -1.26 -3.65 117.46 120.16 1gxl n PHE 484 Ca 0.01 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.87 1gxl n PHE 484 Cb 0.33 -0.36 0.89 0.00 0.35 0.00 0.00 39.48 40.69 1gxl n PHE 484 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1gxl h GLU 485 N 0.00 0.00 -0.27 -4.13 4.11 -2.00 -0.42 114.58 111.86 1gxl h GLU 485 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 1gxl h GLU 485 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1gxl h GLU 485 CO 0.00 0.00 0.24 -0.22 0.07 0.00 0.00 179.01 179.10 1gxl h LYS 486 N 0.00 0.00 0.01 1.06 3.64 -1.69 0.43 116.57 120.03 1gxl h LYS 486 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1gxl h LYS 486 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1gxl h LYS 486 CO 0.00 0.00 -0.01 1.49 -2.27 0.00 0.00 179.45 178.66 1gxl h GLU 487 N 0.00 -0.02 -0.51 1.90 4.81 -1.22 -3.37 114.58 116.18 1gxl h GLU 487 Ca 0.13 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 1gxl h GLU 487 Cb 0.62 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.90 1gxl h GLU 487 CO -0.00 -0.01 -0.22 1.98 -0.73 0.00 0.00 179.01 180.02 1gxl h MET 488 N -0.27 -0.10 -1.90 1.92 4.05 -1.53 0.40 114.93 117.51 1gxl h MET 488 Ca -0.00 0.01 -0.28 0.00 -0.28 0.00 0.00 59.70 59.14 1gxl h MET 488 Cb 0.01 0.02 -0.11 0.00 -0.80 0.00 0.00 31.60 30.73 1gxl h MET 488 CO 0.00 -0.07 0.09 1.51 0.23 0.00 0.00 176.91 178.67 1gxl n ILE 489 N -5.41 2.88 -0.07 1.77 0.13 0.11 -2.31 119.36 116.46 1gxl n ILE 489 Ca 0.04 -1.82 0.00 0.00 -1.10 0.00 0.00 62.75 59.87 1gxl n ILE 489 Cb 0.32 -1.65 0.00 0.00 -0.84 0.00 0.00 39.64 37.47 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 1.36 0.00 -0.06 9.51 2.13 -0.51 -4.74 120.64 128.34 1gxl n GLU 490 Ca 0.35 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.04 1gxl n GLU 490 Cb 0.66 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.25 1gxl n GLU 490 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1gxl h ARG 491 N 0.00 -0.01 0.00 5.31 1.12 0.17 -2.84 114.38 118.14 1gxl h ARG 491 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1gxl h ARG 491 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1gxl h ARG 491 CO 0.00 0.84 0.00 0.38 -3.11 0.00 0.00 179.97 178.08 1gxl h ASP 492 N -0.92 0.00 -0.73 -3.80 -0.00 -1.79 -1.27 116.42 107.90 1gxl h ASP 492 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.03 56.96 1gxl h ASP 492 Cb 0.85 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.15 1gxl h ASP 492 CO 0.00 0.00 0.20 -0.03 -0.00 0.00 0.00 179.24 179.41 1gxl h MET 493 N 0.00 1.16 -0.13 4.15 4.05 -1.80 -0.50 114.93 121.87 1gxl h MET 493 Ca 0.00 -0.27 -0.19 0.00 -0.28 0.00 0.00 59.70 58.96 1gxl h MET 493 Cb 0.66 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1gxl h MET 493 CO 0.00 1.00 -0.71 0.07 0.23 0.00 0.00 176.91 177.50 1gxl h ARG 494 N 1.11 0.58 -0.13 0.39 0.11 -1.16 -2.66 114.38 112.61 1gxl h ARG 494 Ca 0.23 -0.45 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1gxl h ARG 494 Cb 0.35 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1gxl h ARG 494 CO -0.00 1.07 0.00 -1.91 0.10 0.00 0.00 179.97 179.23 1gxl n GLU 495 N -3.89 0.73 -4.21 0.08 2.13 -0.53 -4.84 120.64 110.10 1gxl n GLU 495 Ca -0.05 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.46 1gxl n GLU 495 Cb 0.70 -1.06 -0.07 0.00 0.27 0.00 0.00 31.44 31.28 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 -0.39 -1.36 -2.27 4.31 4.02 -0.62 -4.86 117.16 115.98 1gxl n TYR 496 Ca 0.00 0.60 -0.40 0.00 -0.01 0.00 0.00 57.90 58.09 1gxl n TYR 496 Cb 0.03 -3.02 -0.03 0.00 -0.02 0.00 0.00 39.34 36.31 1gxl n TYR 496 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1gxl s ARG 497 N -7.19 4.30 -0.20 -0.72 6.06 -0.29 -3.37 118.95 117.55 1gxl s ARG 497 Ca 0.04 1.97 0.00 0.00 -2.50 0.00 0.00 55.73 55.24 1gxl s ARG 497 Cb -0.02 -2.94 0.00 0.00 0.06 0.00 0.00 34.95 32.04 1gxl s ARG 497 CO 0.97 -0.14 0.00 0.41 -2.50 0.00 0.00 175.30 174.04 1gxl n GLY 498 N 0.83 0.49 4.03 8.12 0.00 -1.26 -4.98 105.19 112.43 1gxl n GLY 498 Ca 0.01 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.84 1.43 0.40 1.61 0.40 -1.22 -5.05 117.98 113.72 1gxl s PHE 499 Ca 0.00 -0.64 -0.27 0.00 -0.60 0.00 0.00 56.93 55.42 1gxl s PHE 499 Cb 0.00 -2.36 -0.10 0.00 0.51 0.00 0.00 43.02 41.06 1gxl s PHE 499 CO 0.00 -1.27 1.46 0.45 0.70 0.00 0.00 175.22 176.56 1gxl s SER 500 N -4.68 6.21 0.07 1.36 0.15 -1.26 -4.83 113.70 110.72 1gxl s SER 500 Ca 0.63 3.00 -0.19 0.00 0.70 0.00 0.00 55.95 60.09 1gxl s SER 500 Cb -0.06 -2.66 -0.07 0.00 -1.71 0.00 0.00 66.02 61.52 1gxl s SER 500 CO 0.40 -0.96 1.31 -0.09 1.20 0.00 0.00 173.24 175.10 1gxl h ARG 501 N 2.80 -0.26 -0.79 5.44 2.43 -1.95 -0.01 114.38 122.03 1gxl h ARG 501 Ca -0.51 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 58.82 1gxl h ARG 501 Cb 1.25 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.71 1gxl h ARG 501 CO 0.63 -0.17 -0.29 0.00 -1.51 0.00 0.00 179.97 178.63 1gxl h ALA 502 N -0.66 0.26 -0.85 2.80 0.00 -1.86 0.78 119.26 119.72 1gxl h ALA 502 Ca 0.03 0.26 0.19 0.00 0.00 0.00 0.00 54.91 55.39 1gxl h ALA 502 Cb 0.36 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1gxl h ALA 502 CO -0.30 -0.55 0.56 0.28 0.00 0.00 0.00 179.25 179.24 1gxl h VAL 503 N -0.06 0.71 0.13 0.00 2.07 -1.37 -1.51 116.25 116.23 1gxl h VAL 503 Ca 0.33 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1gxl h VAL 503 Cb 0.58 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1gxl h VAL 503 CO -0.83 0.07 -0.06 0.03 0.02 0.00 0.00 177.57 176.80 1gxl h ARG 504 N 0.39 -0.16 -0.65 1.57 3.08 0.22 -2.73 114.38 116.10 1gxl h ARG 504 Ca 0.43 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.63 1gxl h ARG 504 Cb 1.08 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 31.06 1gxl h ARG 504 CO -0.15 0.24 0.06 0.00 -1.07 0.00 0.00 179.97 179.05 1gxl h ALA 505 N 0.16 0.71 -0.69 0.04 0.00 -0.50 0.15 119.26 119.12 1gxl h ALA 505 Ca -0.02 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1gxl h ALA 505 Cb 0.48 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1gxl h ALA 505 CO 0.03 -0.37 0.46 0.28 0.00 0.00 0.00 179.25 179.64 1gxl h VAL 506 N 0.17 1.06 0.00 0.00 2.07 -1.29 -2.86 116.25 115.40 1gxl h VAL 506 Ca 0.35 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1gxl h VAL 506 Cb 0.57 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1gxl h VAL 506 CO -0.52 0.14 -0.43 -0.26 0.02 0.00 0.00 177.57 176.53 1gxl h PHE 507 N 0.77 0.00 -0.05 1.57 -1.00 -0.41 -2.89 116.94 114.94 1gxl h PHE 507 Ca 0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.07 1gxl h PHE 507 Cb 0.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1gxl h PHE 507 CO -0.00 0.08 0.00 -0.85 -1.61 0.00 0.00 178.31 175.93 1gxl n GLU 508 N -2.97 1.35 -0.08 1.51 0.28 -0.74 -2.40 120.64 117.58 1gxl n GLU 508 Ca 0.02 -0.52 0.04 0.00 -0.16 0.00 0.00 57.16 56.54 1gxl n GLU 508 Cb 0.57 -1.41 0.06 0.00 1.43 0.00 0.00 31.44 32.09 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 -0.32 1.67 0.09 3.44 -0.58 -1.18 -4.83 120.64 118.93 1gxl n GLU 509 Ca 0.18 -1.79 0.02 0.00 -0.42 0.00 0.00 57.16 55.16 1gxl n GLU 509 Cb 0.21 -1.10 0.13 0.00 -0.57 0.00 0.00 31.44 30.11 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 -0.78 0.04 0.04 3.49 2.85 -1.01 -0.52 118.16 122.27 1gxl n LYS 510 Ca 0.07 0.39 -0.20 0.00 -1.05 0.00 0.00 58.31 57.51 1gxl n LYS 510 Cb 0.48 -2.02 -0.11 0.00 -0.65 0.00 0.00 35.03 32.74 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 0.68 0.00 -1.58 9.09 -1.88 -3.11 114.58 117.78 1gxl h GLU 511 Ca 0.00 -0.73 0.00 0.00 0.05 0.00 0.00 59.36 58.68 1gxl h GLU 511 Cb 0.80 0.21 0.00 0.00 -1.65 0.00 0.00 28.75 28.11 1gxl h GLU 511 CO 0.00 1.31 0.09 0.00 0.05 0.00 0.00 179.01 180.45 1gxl h ARG 512 N 0.34 0.00 -2.18 1.06 3.08 -1.20 -3.26 114.38 112.22 1gxl h ARG 512 Ca -0.12 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.33 1gxl h ARG 512 Cb 1.66 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 31.29 1gxl h ARG 512 CO 0.20 0.00 -0.66 1.19 -1.07 0.00 0.00 179.97 179.62 1gxl n PHE 513 N -2.62 3.27 -0.09 3.04 3.01 -1.17 -4.92 117.46 117.98 1gxl n PHE 513 Ca -0.02 -4.07 0.26 0.00 1.01 0.00 0.00 57.45 54.63 1gxl n PHE 513 Cb 0.13 -0.52 0.71 0.00 -0.01 0.00 0.00 39.48 39.79 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 3.92 0.00 0.00 -1.08 0.13 -1.74 0.34 132.00 133.58 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 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1gxl h PRO 514 CO 0.79 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 1gxl n GLY 515 N -1.63 -1.15 3.77 1.56 0.00 -1.26 -4.85 105.19 101.63 1gxl n GLY 515 Ca 0.15 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.71 4.25 0.00 0.99 2.96 0.12 -0.63 118.68 123.67 1gxl s LEU 516 Ca 0.19 2.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 1gxl s LEU 516 Cb 0.16 -3.80 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1gxl s LEU 516 CO 0.39 -0.91 0.00 0.52 -1.32 0.00 0.00 176.35 175.03 1gxl n VAL 517 N 0.24 0.00 -3.83 1.68 0.31 -0.49 -4.85 118.33 111.38 1gxl n VAL 517 Ca 0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.29 1gxl n VAL 517 Cb 0.41 -0.09 -0.00 0.00 -0.91 0.00 0.00 33.84 33.25 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 -0.15 0.40 4.52 -1.08 -1.18 -5.00 116.67 114.66 1gxl s ASP 518 Ca 0.00 -0.75 -0.23 0.00 -0.52 0.00 0.00 52.55 51.05 1gxl s ASP 518 Cb 0.00 0.72 -0.10 0.00 -1.46 0.00 0.00 42.92 42.08 1gxl s ASP 518 CO 0.00 -1.37 0.98 0.68 0.52 0.00 0.00 175.17 175.98 1gxl s VAL 519 N -3.24 4.14 0.25 1.11 -7.23 -1.26 -1.16 120.40 113.00 1gxl s VAL 519 Ca 0.13 1.50 -0.10 0.00 -1.81 0.00 0.00 61.98 61.71 1gxl s VAL 519 Cb -0.05 -3.71 0.36 0.00 0.56 0.00 0.00 36.38 33.54 1gxl s VAL 519 CO 0.08 -0.12 1.59 0.58 -0.31 0.00 0.00 175.10 176.92 1gxl h VAL 520 N 2.11 0.16 0.00 1.32 2.07 -1.28 -0.56 116.25 120.08 1gxl h VAL 520 Ca -0.48 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1gxl h VAL 520 Cb 1.19 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1gxl h VAL 520 CO 0.62 0.00 0.08 -1.54 0.02 0.00 0.00 177.57 176.75 1gxl n SER 521 N -5.53 0.01 -0.59 0.57 3.41 -0.78 -0.62 113.62 110.08 1gxl n SER 521 Ca 0.13 0.43 0.09 0.00 -0.26 0.00 0.00 58.87 59.26 1gxl n SER 521 Cb 0.44 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.44 2.18 -0.21 4.04 3.02 -0.22 -4.44 115.26 118.19 1gxl n ASN 522 Ca -0.00 -1.59 0.04 0.00 -0.03 0.00 0.00 54.58 52.99 1gxl n ASN 522 Cb 0.08 0.21 0.01 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.54 1.25 -4.86 3.41 4.32 0.20 -5.00 117.00 116.86 1gxl n LEU 523 Ca 0.09 -0.86 -0.34 0.00 -0.02 0.00 0.00 56.01 54.88 1gxl n LEU 523 Cb 0.42 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.17 1gxl n LEU 523 CO 0.16 0.26 0.17 -0.63 -1.22 0.00 0.00 177.39 176.13 1gxl s ILE 524 N -0.89 4.97 -0.25 -0.08 1.09 -1.19 -4.73 121.20 120.13 1gxl s ILE 524 Ca 0.07 0.55 -0.01 0.00 -1.10 0.00 0.00 60.65 60.16 1gxl s ILE 524 Cb 0.06 -3.67 0.03 0.00 -1.06 0.00 0.00 42.46 37.82 1gxl s ILE 524 CO 0.14 0.15 -0.07 -0.70 -0.10 0.00 0.00 174.94 174.36 1gxl s GLU 525 N -2.25 2.83 -0.02 2.79 2.56 -0.88 -4.98 118.70 118.76 1gxl s GLU 525 Ca 0.39 -0.98 -0.14 0.00 0.00 0.00 0.00 54.97 54.24 1gxl s GLU 525 Cb -0.13 -2.97 0.02 0.00 2.00 0.00 0.00 34.13 33.05 1gxl s GLU 525 CO 0.20 -0.40 0.30 0.54 -0.56 0.00 0.00 175.26 175.35 1gxl s VAL 526 N 1.32 0.05 0.22 3.70 0.11 -1.26 -0.73 120.40 123.82 1gxl s VAL 526 Ca 0.00 -0.45 -0.30 0.00 -2.93 0.00 0.00 61.98 58.30 1gxl s VAL 526 Cb -0.17 -0.60 -0.08 0.00 -1.53 0.00 0.00 36.38 34.00 1gxl s VAL 526 CO -0.05 -0.25 1.07 -1.81 -3.33 0.00 0.00 175.10 170.74 1gxl s ASP 527 N -1.23 7.33 0.35 3.54 1.01 -1.26 -4.83 116.67 121.58 1gxl s ASP 527 Ca -0.13 2.12 0.27 0.00 0.71 0.00 0.00 52.55 55.52 1gxl s ASP 527 Cb -0.05 -2.61 1.19 0.00 1.01 0.00 0.00 42.92 42.46 1gxl s ASP 527 CO 0.04 -0.13 1.23 1.21 0.21 0.00 0.00 175.17 177.73 1gxl n GLU 528 N 1.83 -0.03 0.00 8.23 2.13 -1.26 -0.72 120.64 130.82 1gxl n GLU 528 Ca 0.01 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.81 1gxl n GLU 528 Cb 0.46 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.21 1gxl n GLU 528 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1gxl n LYS 529 N -4.22 0.00 0.00 5.31 5.02 -1.26 -2.33 118.16 120.68 1gxl n LYS 529 Ca 0.32 0.23 0.03 0.00 -2.02 0.00 0.00 58.31 56.86 1gxl n LYS 529 Cb 1.27 -1.19 0.15 0.00 -0.02 0.00 0.00 35.03 35.23 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 -1.12 0.00 -0.28 2.13 4.02 -0.51 -3.48 117.16 117.92 1gxl n TYR 530 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.83 1gxl n TYR 530 Cb 0.00 -0.09 -0.01 0.00 -0.02 0.00 0.00 39.34 39.21 1gxl n TYR 530 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1gxl h SER 531 N 0.00 -1.50 0.25 7.72 0.87 -0.52 -0.62 113.55 119.76 1gxl h SER 531 Ca 0.00 0.27 -0.18 0.00 -1.23 0.00 0.00 61.79 60.65 1gxl h SER 531 Cb 0.02 0.72 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1gxl h SER 531 CO 0.00 -0.31 -0.70 0.25 -0.53 0.00 0.00 176.83 175.55 1gxl h LEU 532 N -0.13 0.47 0.46 2.23 6.46 -1.74 -2.87 115.31 120.19 1gxl h LEU 532 Ca 0.23 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 1gxl h LEU 532 Cb 0.55 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1gxl h LEU 532 CO -0.80 1.02 -0.52 0.00 -0.62 0.00 0.00 178.44 177.53 1gxl h ALA 533 N 0.97 -1.14 -0.75 1.25 0.00 -1.39 -2.17 119.26 116.04 1gxl h ALA 533 Ca -0.02 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1gxl h ALA 533 Cb 1.26 0.76 -0.09 0.00 0.00 0.00 0.00 17.79 19.72 1gxl h ALA 533 CO 0.12 -1.19 0.31 0.28 0.00 0.00 0.00 179.25 178.77 1gxl h VAL 534 N -0.99 0.69 -0.16 0.00 2.07 -1.32 -2.08 116.25 114.46 1gxl h VAL 534 Ca -0.06 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1gxl h VAL 534 Cb 0.87 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1gxl h VAL 534 CO -0.09 0.09 -0.54 -1.28 0.02 0.00 0.00 177.57 175.76 1gxl h SER 535 N 0.47 -1.73 0.02 0.57 0.87 -1.21 -0.86 113.55 111.68 1gxl h SER 535 Ca 0.41 0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 61.17 1gxl h SER 535 Cb 0.59 0.68 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1gxl h SER 535 CO -0.38 -0.48 -0.01 -0.37 -0.53 0.00 0.00 176.83 175.07 1gxl h VAL 536 N -0.57 0.65 0.00 2.23 -1.51 -0.83 -0.60 116.25 115.62 1gxl h VAL 536 Ca 0.03 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1gxl h VAL 536 Cb 0.67 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1gxl h VAL 536 CO -0.45 0.01 0.00 -0.07 -1.23 0.00 0.00 177.57 175.83 1gxl h LEU 537 N 0.00 0.00 0.00 4.19 3.38 -0.52 -3.35 115.31 119.02 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 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1gxl h LEU 537 CO 0.00 0.00 -0.12 0.18 0.09 0.00 0.00 178.44 178.59 1gxl n LEU 538 N -3.00 0.28 0.00 1.67 4.77 -0.28 -5.05 117.00 115.39 1gxl n LEU 538 Ca 0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1gxl n LEU 538 Cb 0.29 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1gxl n LEU 538 CO 0.26 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1gxl n GLY 539 N 1.59 1.78 0.23 -0.72 0.00 -0.95 -3.58 105.19 103.54 1gxl n GLY 539 Ca -0.02 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.96 103.07 100.13 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 -3.14 1.38 -0.21 4.70 -1.04 -1.23 -1.93 114.28 112.80 1gxl n THR 541 Ca 0.02 0.46 -0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1gxl n THR 541 Cb 0.46 -1.39 0.23 0.00 -1.82 0.00 0.00 70.33 67.82 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 2.16 1.42 -0.80 2.41 0.00 -1.79 -2.69 119.26 119.97 1gxl h ALA 542 Ca 0.00 -0.07 -0.47 0.00 0.00 0.00 0.00 54.91 54.37 1gxl h ALA 542 Cb 0.11 -0.30 -0.26 0.00 0.00 0.00 0.00 17.79 17.35 1gxl h ALA 542 CO 0.00 0.51 0.37 0.00 0.00 0.00 0.00 179.25 180.13 1gxl n GLN 543 N -4.40 2.37 -2.75 0.00 10.64 -0.81 -1.87 117.38 120.55 1gxl n GLN 543 Ca 0.08 -3.24 -0.37 0.00 -1.83 0.00 0.00 57.00 51.63 1gxl n GLN 543 Cb 0.06 -2.12 -0.06 0.00 -0.86 0.00 0.00 30.24 27.26 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 -1.99 7.35 -0.26 2.61 0.02 -1.02 -4.72 114.94 116.93 1gxl s ASN 544 Ca 0.55 1.88 -0.15 0.00 -1.02 0.00 0.00 52.86 54.12 1gxl s ASN 544 Cb 0.46 -2.59 -0.04 0.00 0.02 0.00 0.00 41.25 39.11 1gxl s ASN 544 CO 0.04 -0.06 0.39 -0.63 0.02 0.00 0.00 177.10 176.85 1gxl s ILE 545 N -1.54 5.17 -0.07 0.60 1.09 0.12 -1.87 121.20 124.70 1gxl s ILE 545 Ca 0.49 0.61 -0.23 0.00 -1.10 0.00 0.00 60.65 60.43 1gxl s ILE 545 Cb -0.20 -3.71 -0.04 0.00 -1.06 0.00 0.00 42.46 37.45 1gxl s ILE 545 CO 0.26 0.17 0.68 -0.69 -0.10 0.00 0.00 174.94 175.26 1gxl s VAL 546 N 1.94 5.06 0.16 2.92 1.01 -0.31 -0.48 120.40 130.70 1gxl s VAL 546 Ca 0.16 1.40 0.06 0.00 0.00 0.00 0.00 61.98 63.60 1gxl s VAL 546 Cb -0.16 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1gxl s VAL 546 CO 0.09 0.25 -0.12 0.68 0.00 0.00 0.00 175.10 176.01 1gxl s VAL 547 N 0.83 1.37 0.11 2.92 -7.23 -0.93 -1.39 120.40 116.07 1gxl s VAL 547 Ca 0.36 -2.08 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 1gxl s VAL 547 Cb -0.17 -1.89 -0.06 0.00 0.56 0.00 0.00 36.38 34.82 1gxl s VAL 547 CO 0.17 -0.67 1.49 0.03 -0.31 0.00 0.00 175.10 175.81 1gxl h ARG 548 N 2.77 0.68 -4.16 4.82 2.47 -1.18 0.04 114.38 119.82 1gxl h ARG 548 Ca -0.37 -0.29 -0.15 0.00 -1.26 0.00 0.00 59.98 57.91 1gxl h ARG 548 Cb 1.20 -0.03 -0.13 0.00 -1.65 0.00 0.00 29.97 29.36 1gxl h ARG 548 CO 0.62 0.88 -0.46 0.54 0.56 0.00 0.00 179.97 182.11 1gxl s ASN 549 N -6.35 0.13 0.45 7.04 2.20 -1.26 -3.34 114.94 113.81 1gxl s ASN 549 Ca -0.13 -1.07 0.13 0.00 -0.94 0.00 0.00 52.86 50.85 1gxl s ASN 549 Cb 0.09 0.40 1.05 0.00 -2.00 0.00 0.00 41.25 40.78 1gxl s ASN 549 CO 0.81 -0.85 2.05 0.58 -2.94 0.00 0.00 177.10 176.74 1gxl h VAL 550 N 2.63 0.98 -0.36 3.54 2.07 -1.92 -2.52 116.25 120.67 1gxl h VAL 550 Ca -0.33 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1gxl h VAL 550 Cb 1.22 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1gxl h VAL 550 CO 0.51 0.06 0.14 0.44 0.02 0.00 0.00 177.57 178.74 1gxl h ASP 551 N 0.34 0.51 -0.76 0.57 5.19 -1.99 -0.04 116.42 120.25 1gxl h ASP 551 Ca 0.17 -0.18 0.08 0.00 -0.62 0.00 0.00 57.03 56.48 1gxl h ASP 551 Cb 0.24 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.57 1gxl h ASP 551 CO -0.04 0.55 0.50 0.74 -3.12 0.00 0.00 179.24 177.87 1gxl h THR 552 N 0.44 0.99 0.19 0.35 2.02 -1.85 0.26 112.91 115.31 1gxl h THR 552 Ca 0.12 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1gxl h THR 552 Cb 0.20 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1gxl h THR 552 CO -0.01 0.14 -0.09 0.00 0.37 0.00 0.00 175.52 175.93 1gxl h ALA 553 N 1.60 -0.26 -0.89 6.16 0.00 -1.16 -1.66 119.26 123.06 1gxl h ALA 553 Ca 0.33 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1gxl h ALA 553 Cb 0.33 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1gxl h ALA 553 CO -0.12 -0.55 0.56 0.87 0.00 0.00 0.00 179.25 180.01 1gxl h LYS 554 N -0.44 0.97 -0.06 0.00 1.57 -0.03 0.49 116.57 119.07 1gxl h LYS 554 Ca -0.03 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1gxl h LYS 554 Cb 0.34 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1gxl h LYS 554 CO 0.04 0.64 -0.12 0.00 -0.57 0.00 0.00 179.45 179.45 1gxl h ALA 555 N 1.42 -0.08 -0.08 3.86 0.00 -0.32 -0.19 119.26 123.88 1gxl h ALA 555 Ca 0.39 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1gxl h ALA 555 Cb 0.20 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1gxl h ALA 555 CO -0.18 -0.59 0.03 0.82 0.00 0.00 0.00 179.25 179.33 1gxl h ILE 556 N -0.17 1.13 -0.74 0.00 2.04 -0.60 0.36 117.51 119.53 1gxl h ILE 556 Ca 0.06 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.63 1gxl h ILE 556 Cb 0.26 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1gxl h ILE 556 CO -0.16 0.11 0.48 0.58 0.00 0.00 0.00 178.15 179.16 1gxl h VAL 557 N -0.02 0.95 -0.09 1.67 2.07 -0.72 0.17 116.25 120.29 1gxl h VAL 557 Ca 0.03 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 1gxl h VAL 557 Cb 0.15 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1gxl h VAL 557 CO -0.00 0.12 -0.42 -0.08 0.02 0.00 0.00 177.57 177.21 1gxl h GLU 558 N 0.67 0.43 -0.30 1.57 4.57 -0.64 -1.74 114.58 119.14 1gxl h GLU 558 Ca 0.33 -0.35 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1gxl h GLU 558 Cb 0.43 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.03 1gxl h GLU 558 CO -0.12 0.99 -0.06 0.35 -1.18 0.00 0.00 179.01 178.99 1gxl h PHE 559 N -0.01 -0.12 -0.40 0.92 3.57 0.01 -1.84 116.94 119.06 1gxl h PHE 559 Ca -0.03 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1gxl h PHE 559 Cb 1.07 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1gxl h PHE 559 CO 0.12 -0.11 0.07 -0.07 -2.23 0.00 0.00 178.31 176.09 1gxl h LEU 560 N 0.02 0.64 -2.44 0.59 3.38 -1.05 -2.84 115.31 113.61 1gxl h LEU 560 Ca 0.15 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1gxl h LEU 560 Cb 0.22 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1gxl h LEU 560 CO -0.29 0.74 0.02 0.50 0.09 0.00 0.00 178.44 179.49 1gxl h LYS 561 N 0.52 0.00 0.16 1.13 3.64 -0.84 -1.04 116.57 120.13 1gxl h LYS 561 Ca 0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1gxl h LYS 561 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1gxl h LYS 561 CO 0.01 0.00 -0.08 1.96 -2.27 0.00 0.00 179.45 179.07 1gxl h GLN 562 N 0.00 -0.21 -0.07 1.90 1.08 -1.11 -3.34 115.11 113.36 1gxl h GLN 562 Ca 0.01 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1gxl h GLN 562 Cb 0.04 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1gxl h GLN 562 CO -0.00 -0.14 0.00 0.09 -0.95 0.00 0.00 178.83 177.83 1gxl n ASN 563 N -4.83 0.10 -4.50 1.46 4.13 -1.15 -4.89 115.26 105.58 1gxl n ASN 563 Ca -0.03 -2.00 -0.42 0.00 1.68 0.00 0.00 54.58 53.82 1gxl n ASN 563 Cb 0.09 -0.04 -0.07 0.00 -1.54 0.00 0.00 39.78 38.21 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 -0.45 -1.04 0.00 3.52 1.02 -0.41 -4.80 120.64 118.49 1gxl n GLU 564 Ca 0.00 0.17 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 1gxl n GLU 564 Cb 0.02 -4.72 0.69 0.00 -0.02 0.00 0.00 31.44 27.41 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 -4.13 2.50 0.00 0.62 0.00 -1.15 -5.00 120.51 113.35 1gxl n ALA 565 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1gxl n ALA 565 Cb 0.47 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.66 0.69 3.82 0.00 0.00 -1.26 -3.38 105.19 105.72 1gxl n GLY 566 Ca 0.17 -2.23 -0.22 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.02 2.90 0.21 1.61 0.52 -1.26 -4.77 118.95 117.14 1gxl s ARG 567 Ca 0.00 -1.06 -0.13 0.00 -0.52 0.00 0.00 55.73 54.03 1gxl s ARG 567 Cb 0.00 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.92 1gxl s ARG 567 CO 0.00 0.40 0.43 0.14 0.02 0.00 0.00 175.30 176.29 1gxl s VAL 568 N -2.12 0.03 -0.17 3.52 -7.23 -1.26 -4.74 120.40 108.43 1gxl s VAL 568 Ca 0.33 -1.25 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1gxl s VAL 568 Cb -0.08 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 34.94 1gxl s VAL 568 CO 0.25 -0.12 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.84 1gxl s THR 569 N -3.97 2.23 -0.11 5.32 2.01 -1.26 -5.06 115.64 114.80 1gxl s THR 569 Ca 0.18 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 61.24 1gxl s THR 569 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1gxl s THR 569 CO 0.03 0.53 0.05 -0.63 -0.69 0.00 0.00 174.62 173.91 1gxl s ILE 570 N 1.18 4.74 -0.48 1.82 1.01 -1.26 -0.70 121.20 127.51 1gxl s ILE 570 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1gxl s ILE 570 Cb -0.14 -3.04 0.13 0.00 0.01 0.00 0.00 42.46 39.42 1gxl s ILE 570 CO -0.09 0.59 0.25 -0.76 0.00 0.00 0.00 174.94 174.94 1gxl s LEU 571 N -0.78 4.90 -0.05 2.97 1.43 0.37 -4.91 118.68 122.61 1gxl s LEU 571 Ca 0.12 -2.55 -0.30 0.00 -1.03 0.00 0.00 54.13 50.38 1gxl s LEU 571 Cb -0.12 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1gxl s LEU 571 CO 0.03 -0.38 1.13 -2.16 0.23 0.00 0.00 176.35 175.19 1gxl s PRO 572 N 0.37 4.40 0.61 1.29 0.04 -1.26 -2.19 135.00 138.26 1gxl s PRO 572 Ca 0.14 1.58 0.32 0.00 0.04 0.00 0.00 61.00 63.08 1gxl s PRO 572 Cb -0.22 -3.52 1.91 0.00 0.04 0.00 0.00 34.50 32.71 1gxl s PRO 572 CO -0.04 -0.35 2.24 -0.07 0.04 0.00 0.00 177.00 178.83 1gxl h LEU 573 N 7.84 0.00 -1.93 -3.56 3.38 -1.05 -0.71 115.31 119.28 1gxl h LEU 573 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 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 0.85 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.48 1gxl n ASP 574 N -3.67 2.82 0.00 -0.43 5.75 -1.21 -4.45 116.55 115.36 1gxl n ASP 574 Ca -0.02 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 1gxl n ASP 574 Cb 0.13 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 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 0.99 0.77 -4.76 -2.12 7.94 -0.35 -4.95 117.00 114.51 1gxl n LEU 575 Ca 0.17 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.69 1gxl n LEU 575 Cb 0.45 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.41 1gxl n LEU 575 CO 0.12 0.13 0.92 0.27 -1.11 0.00 0.00 177.39 177.72 1gxl s ILE 576 N -1.38 2.59 -0.17 1.96 -5.25 -0.73 -4.98 121.20 113.23 1gxl s ILE 576 Ca 0.00 0.47 -0.20 0.00 -0.99 0.00 0.00 60.65 59.92 1gxl s ILE 576 Cb 0.00 -3.25 -0.03 0.00 2.95 0.00 0.00 42.46 42.13 1gxl s ILE 576 CO 0.00 0.01 0.60 -0.62 -1.79 0.00 0.00 174.94 173.14 1gxl s ASP 577 N -1.04 6.70 0.00 4.36 2.15 -1.26 -4.95 116.67 122.63 1gxl s ASP 577 Ca 0.65 0.85 0.12 0.00 0.43 0.00 0.00 52.55 54.59 1gxl s ASP 577 Cb -0.35 -2.34 0.25 0.00 -0.30 0.00 0.00 42.92 40.17 1gxl s ASP 577 CO 0.43 -0.20 1.13 0.61 -0.17 0.00 0.00 175.17 176.97 1gxl n GLY 578 N 3.65 1.65 3.76 2.66 0.00 -1.26 -4.04 105.19 111.61 1gxl n GLY 578 Ca -0.03 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 5.64 -0.12 1.61 1.04 -1.26 -4.15 113.70 115.45 1gxl s SER 579 Ca 0.21 2.53 -0.28 0.00 0.48 0.00 0.00 55.95 58.90 1gxl s SER 579 Cb 0.12 -2.62 0.07 0.00 0.10 0.00 0.00 66.02 63.69 1gxl s SER 579 CO 0.16 -1.30 0.67 0.72 0.98 0.00 0.00 173.24 174.47 1gxl s PHE 580 N -1.43 -0.67 0.11 5.02 -0.71 -1.26 -4.84 117.98 114.19 1gxl s PHE 580 Ca 0.69 1.35 0.10 0.00 -1.04 0.00 0.00 56.93 58.03 1gxl s PHE 580 Cb -0.34 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1gxl s PHE 580 CO 0.41 -0.51 -0.25 0.54 -1.34 0.00 0.00 175.22 174.07 1gxl s ASN 581 N -0.63 3.04 -0.01 1.98 2.20 -1.26 -5.01 114.94 115.25 1gxl s ASN 581 Ca -0.07 -0.70 -0.02 0.00 -0.94 0.00 0.00 52.86 51.13 1gxl s ASN 581 Cb -0.02 -0.21 -0.04 0.00 -2.00 0.00 0.00 41.25 38.98 1gxl s ASN 581 CO 0.06 0.16 0.15 -0.60 -2.94 0.00 0.00 177.10 173.94 1gxl s ARG 582 N -1.86 3.33 0.03 3.55 6.06 -1.26 -4.87 118.95 123.93 1gxl s ARG 582 Ca 0.11 -0.36 0.07 0.00 -2.50 0.00 0.00 55.73 53.05 1gxl s ARG 582 Cb -0.10 -3.03 -0.03 0.00 0.06 0.00 0.00 34.95 31.85 1gxl s ARG 582 CO 0.05 0.67 -0.20 0.42 -2.50 0.00 0.00 175.30 173.74 1gxl s ILE 583 N -1.29 2.66 0.20 4.11 1.09 -1.26 -5.10 121.20 121.62 1gxl s ILE 583 Ca 0.26 -1.18 -0.30 0.00 -1.10 0.00 0.00 60.65 58.33 1gxl s ILE 583 Cb -0.12 -2.09 -0.08 0.00 -1.06 0.00 0.00 42.46 39.10 1gxl s ILE 583 CO 0.17 0.37 1.01 -0.55 -0.10 0.00 0.00 174.94 175.85 1gxl s SER 584 N -1.31 7.46 0.00 3.58 0.15 -1.26 -3.50 113.70 118.82 1gxl s SER 584 Ca 0.14 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.79 1gxl s SER 584 Cb -0.10 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1gxl s SER 584 CO 0.04 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1gxl n GLY 585 N 1.75 2.49 0.36 9.45 0.00 -1.26 -4.88 105.19 113.10 1gxl n GLY 585 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1gxl n GLY 585 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gxl h LEU 586 N 0.00 0.97 -1.65 0.99 6.46 -1.99 0.26 115.31 120.35 1gxl h LEU 586 Ca 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1gxl h LEU 586 Cb 0.00 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1gxl h LEU 586 CO 0.00 0.57 0.00 1.05 -0.62 0.00 0.00 178.44 179.44 1gxl h GLU 587 N 1.07 0.00 -0.59 1.25 9.09 -1.90 -0.53 114.58 122.97 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 0.31 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.38 1gxl h GLU 587 CO -0.22 0.00 0.07 0.09 0.05 0.00 0.00 179.01 179.00 1gxl n ASN 588 N -2.50 5.36 -4.92 3.06 3.02 0.89 -4.81 115.26 115.36 1gxl n ASN 588 Ca -0.01 -3.03 -0.28 0.00 -0.03 0.00 0.00 54.58 51.23 1gxl n ASN 588 Cb 0.10 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 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 -2.85 3.53 -0.30 3.52 2.56 -0.21 -5.01 118.70 119.94 1gxl s GLU 589 Ca 0.54 -0.32 -0.36 0.00 0.00 0.00 0.00 54.97 54.83 1gxl s GLU 589 Cb 0.42 -2.87 -0.12 0.00 2.00 0.00 0.00 34.13 33.56 1gxl s GLU 589 CO 0.15 0.44 2.06 0.54 -0.56 0.00 0.00 175.26 177.89 1gxl n ARG 590 N -0.44 1.21 -1.00 4.30 5.12 -1.26 -1.74 116.66 122.85 1gxl n ARG 590 Ca -0.04 0.38 -0.00 0.00 -1.93 0.00 0.00 57.85 56.25 1gxl n ARG 590 Cb 0.53 -2.40 -0.00 0.00 -1.16 0.00 0.00 32.46 29.43 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 5.84 0.48 3.38 -0.13 0.00 -1.26 -4.84 105.19 108.66 1gxl n GLY 591 Ca 0.36 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.97 -1.37 -1.81 1.61 7.35 -0.71 -1.71 117.46 117.85 1gxl n PHE 592 Ca -0.00 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 1gxl n PHE 592 Cb 0.02 -1.72 0.00 0.00 0.35 0.00 0.00 39.48 38.13 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 -3.92 0.00 0.00 -2.13 0.31 -0.78 -4.69 118.33 107.13 1gxl n VAL 593 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1gxl n VAL 593 Cb 0.56 0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.75 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 2.58 3.77 2.92 0.00 -1.24 -4.87 105.19 108.36 1gxl n GLY 594 Ca 0.00 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.70 3.92 0.25 1.61 1.51 -1.26 -1.77 117.35 118.91 1gxl s TYR 595 Ca 0.00 1.67 -0.06 0.00 -1.01 0.00 0.00 57.07 57.67 1gxl s TYR 595 Cb 0.00 -2.79 0.28 0.00 -0.11 0.00 0.00 41.96 39.34 1gxl s TYR 595 CO 0.00 0.51 1.92 0.00 -1.11 0.00 0.00 175.55 176.87 1gxl h ALA 596 N 4.31 1.29 -0.64 3.71 0.00 -1.84 -2.10 119.26 124.00 1gxl h ALA 596 Ca -0.47 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 54.53 1gxl h ALA 596 Cb 1.21 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1gxl h ALA 596 CO 0.66 0.63 0.44 -0.24 0.00 0.00 0.00 179.25 180.74 1gxl h VAL 597 N 1.33 0.77 0.00 0.00 3.04 -1.92 -1.13 116.25 118.33 1gxl h VAL 597 Ca 0.38 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 1gxl h VAL 597 Cb -0.11 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 29.72 1gxl h VAL 597 CO -0.09 0.04 0.00 0.47 -1.01 0.00 0.00 177.57 176.97 1gxl n ASP 598 N -4.42 0.00 -0.81 3.17 8.00 -0.79 -2.15 116.55 119.54 1gxl n ASP 598 Ca 0.12 -0.14 0.07 0.00 0.71 0.00 0.00 54.79 55.55 1gxl n ASP 598 Cb 0.57 -0.11 0.22 0.00 -0.02 0.00 0.00 41.12 41.78 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 -1.11 3.51 -3.94 0.64 4.32 -0.43 -5.01 117.00 114.98 1gxl n LEU 599 Ca 0.06 -2.56 -0.09 0.00 -0.02 0.00 0.00 56.01 53.41 1gxl n LEU 599 Cb 0.05 -0.41 -0.09 0.00 -1.62 0.00 0.00 43.42 41.35 1gxl n LEU 599 CO 0.06 0.70 -0.21 -0.69 -1.22 0.00 0.00 177.39 176.03 1gxl s VAL 600 N -2.01 0.15 0.02 4.08 1.01 -0.91 -4.67 120.40 118.08 1gxl s VAL 600 Ca 0.34 -1.27 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1gxl s VAL 600 Cb 0.25 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1gxl s VAL 600 CO 0.12 -0.70 -0.15 -0.54 0.00 0.00 0.00 175.10 173.83 1gxl s LYS 601 N -3.22 1.07 0.01 2.72 -0.14 0.09 -4.98 119.74 115.30 1gxl s LYS 601 Ca 0.00 -0.70 0.03 0.00 -1.36 0.00 0.00 55.97 53.94 1gxl s LYS 601 Cb 0.02 -1.08 -0.01 0.00 -1.68 0.00 0.00 37.83 35.08 1gxl s LYS 601 CO -0.07 0.28 -0.09 -0.06 -0.76 0.00 0.00 175.35 174.65 1gxl s PHE 602 N -0.66 0.78 -0.04 3.18 0.40 -1.26 -2.07 117.98 118.30 1gxl s PHE 602 Ca 0.04 -0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.09 1gxl s PHE 602 Cb -0.07 -0.48 -0.11 0.00 0.51 0.00 0.00 43.02 42.87 1gxl s PHE 602 CO 0.01 -0.02 1.78 -0.35 0.70 0.00 0.00 175.22 177.34 1gxl n PRO 603 N 2.37 0.87 0.00 0.24 -0.04 -1.26 -4.82 135.00 132.35 1gxl n PRO 603 Ca -0.16 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1gxl n PRO 603 Cb 0.56 -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 2.91 0.00 0.00 3.54 3.41 -1.26 -3.44 113.62 118.78 1gxl n SER 604 Ca 0.19 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.82 1gxl n SER 604 Cb 0.36 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.08 4.04 5.75 -1.26 -0.54 116.55 124.46 1gxl n ASP 605 Ca 0.00 -0.43 0.02 0.00 -0.01 0.00 0.00 54.79 54.36 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 -0.73 1.28 -0.34 -2.12 4.77 -1.22 -4.86 117.00 113.78 1gxl n LEU 606 Ca 0.03 -1.56 0.15 0.00 -0.03 0.00 0.00 56.01 54.60 1gxl n LEU 606 Cb 0.01 -0.09 0.35 0.00 -2.33 0.00 0.00 43.42 41.37 1gxl n LEU 606 CO 0.02 0.38 1.15 -0.08 -1.33 0.00 0.00 177.39 177.53 1gxl h GLU 607 N 0.00 0.59 0.06 3.23 4.81 -1.12 -1.22 114.58 120.94 1gxl h GLU 607 Ca 0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1gxl h GLU 607 Cb 0.85 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1gxl h GLU 607 CO 0.00 0.39 -0.03 -0.39 -0.73 0.00 0.00 179.01 178.25 1gxl h VAL 608 N 0.61 1.03 -1.38 0.32 -1.51 -1.89 -1.55 116.25 111.88 1gxl h VAL 608 Ca 0.61 -0.32 0.42 0.00 -1.23 0.00 0.00 66.70 66.17 1gxl h VAL 608 Cb 1.09 1.24 -0.10 0.00 -2.13 0.00 0.00 31.29 31.40 1gxl h VAL 608 CO -0.45 0.08 0.93 0.25 -1.23 0.00 0.00 177.57 177.15 1gxl h LEU 609 N -0.23 0.19 0.08 4.19 5.85 -1.61 0.48 115.31 124.27 1gxl h LEU 609 Ca -0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1gxl h LEU 609 Cb 0.20 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1gxl h LEU 609 CO 0.01 -0.08 -0.04 1.23 -0.34 0.00 0.00 178.44 179.23 1gxl h GLY 610 N 0.10 -0.12 2.00 3.75 0.00 -1.03 -1.19 103.07 106.58 1gxl h GLY 610 Ca 0.76 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 48.11 1gxl h GLY 610 CO -0.25 -0.04 -0.15 -1.33 0.00 0.00 0.00 176.54 174.76 1gxl h GLY 611 N -0.58 0.00 0.52 4.60 0.00 0.22 0.16 103.07 107.98 1gxl h GLY 611 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1gxl h GLY 611 CO 0.02 0.00 -0.11 -2.75 0.00 0.00 0.00 176.54 173.70 1gxl h PHE 612 N 0.00 0.18 -0.01 5.60 3.57 -0.50 -3.34 116.94 122.44 1gxl h PHE 612 Ca -0.00 -0.07 -0.22 0.00 3.53 0.00 0.00 57.97 61.20 1gxl h PHE 612 Cb 0.30 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1gxl h PHE 612 CO 0.00 0.72 -0.92 -0.07 -2.23 0.00 0.00 178.31 175.81 1gxl h LEU 613 N -0.41 0.55 0.00 0.59 3.38 -0.98 -3.48 115.31 114.96 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 0.72 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1gxl h LEU 613 CO 0.02 1.22 0.00 0.49 0.09 0.00 0.00 178.44 180.27 1gxl n PHE 614 N -3.76 0.00 0.00 1.13 3.01 0.54 -4.87 117.46 113.51 1gxl n PHE 614 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1gxl n PHE 614 Cb 0.82 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.29 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 1.32 1.37 0.43 1.37 0.00 -1.26 -4.25 105.19 104.17 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 2.04 -4.84 1.61 4.05 -1.26 -4.41 115.26 112.81 1gxl n ASN 616 Ca 0.00 -1.54 -0.30 0.00 0.45 0.00 0.00 54.58 53.19 1gxl n ASN 616 Cb 0.00 -0.05 -0.05 0.00 1.23 0.00 0.00 39.78 40.91 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 -0.86 5.87 0.02 1.20 0.01 -1.26 -2.14 113.70 116.53 1gxl s SER 617 Ca 0.14 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.49 1gxl s SER 617 Cb 0.09 -1.68 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 1gxl s SER 617 CO 0.13 0.15 -0.05 -0.69 0.41 0.00 0.00 173.24 173.19 1gxl s VAL 618 N -1.49 0.31 -0.13 3.43 1.01 -0.22 -2.60 120.40 120.71 1gxl s VAL 618 Ca 0.32 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1gxl s VAL 618 Cb -0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1gxl s VAL 618 CO 0.25 -0.17 0.04 -0.69 0.00 0.00 0.00 175.10 174.52 1gxl s VAL 619 N -0.73 4.59 0.26 2.92 1.01 -0.73 -1.12 120.40 126.60 1gxl s VAL 619 Ca -0.05 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1gxl s VAL 619 Cb -0.06 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1gxl s VAL 619 CO -0.00 0.55 0.06 1.33 0.00 0.00 0.00 175.10 177.04 1gxl n VAL 620 N 2.73 0.00 -0.05 2.92 0.24 0.14 -1.86 118.33 122.46 1gxl n VAL 620 Ca -0.18 -1.41 -0.01 0.00 -2.04 0.00 0.00 64.34 60.70 1gxl n VAL 620 Cb 0.53 0.44 -0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 -5.87 7.34 5.08 -1.61 -2.56 114.58 116.97 1gxl h GLU 621 Ca -0.21 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.63 1gxl h GLU 621 Cb 0.73 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.84 1gxl h GLU 621 CO 0.33 0.00 -0.74 0.95 -1.00 0.00 0.00 179.01 178.55 1gxl s THR 622 N -1.55 2.08 0.61 1.13 -4.23 -1.26 -2.00 115.64 110.41 1gxl s THR 622 Ca -0.02 -2.30 0.31 0.00 -1.18 0.00 0.00 61.69 58.50 1gxl s THR 622 Cb 0.00 -2.17 0.37 0.00 1.34 0.00 0.00 72.50 72.04 1gxl s THR 622 CO 0.03 -0.50 2.18 0.25 -0.54 0.00 0.00 174.62 176.03 1gxl h LEU 623 N 2.42 0.00 -0.12 4.79 5.85 -1.97 -0.80 115.31 125.47 1gxl h LEU 623 Ca -0.39 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.14 1gxl h LEU 623 Cb 1.24 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.28 1gxl h LEU 623 CO 0.61 0.00 -0.66 0.44 -0.34 0.00 0.00 178.44 178.49 1gxl h ASP 624 N 0.00 0.80 -0.48 1.25 5.19 -1.99 0.46 116.42 121.65 1gxl h ASP 624 Ca 0.04 -0.64 0.02 0.00 -0.62 0.00 0.00 57.03 55.83 1gxl h ASP 624 Cb 0.28 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.52 1gxl h ASP 624 CO -0.00 1.31 0.29 0.44 -3.12 0.00 0.00 179.24 178.16 1gxl h ASP 625 N 0.34 0.47 0.42 6.45 3.45 -1.51 -0.51 116.42 125.52 1gxl h ASP 625 Ca -0.05 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 1gxl h ASP 625 Cb 1.30 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.95 1gxl h ASP 625 CO 0.14 0.33 -0.42 0.00 -1.57 0.00 0.00 179.24 177.72 1gxl h ALA 626 N 1.21 -0.92 -0.76 3.45 0.00 -1.09 -0.33 119.26 120.83 1gxl h ALA 626 Ca 0.19 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1gxl h ALA 626 Cb 0.01 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1gxl h ALA 626 CO -0.09 -1.05 0.41 0.82 0.00 0.00 0.00 179.25 179.34 1gxl h ILE 627 N -0.85 0.90 0.51 0.00 2.04 -0.56 0.64 117.51 120.19 1gxl h ILE 627 Ca -0.04 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1gxl h ILE 627 Cb 0.76 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1gxl h ILE 627 CO -0.07 0.13 -0.25 -0.09 0.00 0.00 0.00 178.15 177.87 1gxl h ARG 628 N 0.70 -0.67 -0.33 2.37 2.43 -0.81 -2.13 114.38 115.95 1gxl h ARG 628 Ca 0.36 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.64 1gxl h ARG 628 Cb 0.33 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.98 1gxl h ARG 628 CO -0.24 -0.45 -0.07 1.98 -1.51 0.00 0.00 179.97 179.67 1gxl h MET 629 N -0.70 0.01 -0.16 0.20 4.05 -0.63 -0.38 114.93 117.32 1gxl h MET 629 Ca -0.07 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.40 1gxl h MET 629 Cb 0.54 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1gxl h MET 629 CO 0.11 0.01 0.16 -0.22 0.23 0.00 0.00 176.91 177.20 1gxl h LYS 630 N 0.01 0.00 0.08 0.39 1.63 -0.72 -1.75 116.57 116.21 1gxl h LYS 630 Ca 0.16 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.66 1gxl h LYS 630 Cb 0.24 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1gxl h LYS 630 CO -0.33 0.00 -1.59 0.87 -3.45 0.00 0.00 179.45 174.95 1gxl h LYS 631 N 0.00 0.17 0.62 1.90 1.57 -0.44 -2.46 116.57 117.93 1gxl h LYS 631 Ca 0.08 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1gxl h LYS 631 Cb 0.40 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1gxl h LYS 631 CO -0.00 0.97 -0.30 -0.22 -0.57 0.00 0.00 179.45 179.33 1gxl h LYS 632 N 0.05 -0.80 0.00 3.15 3.64 -0.31 -3.30 116.57 119.00 1gxl h LYS 632 Ca -0.26 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1gxl h LYS 632 Cb 2.00 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.99 1gxl h LYS 632 CO 0.13 -0.53 -0.14 1.88 -2.27 0.00 0.00 179.45 178.52 1gxl h TYR 633 N -1.12 0.00 -6.79 1.91 -1.99 -1.64 -3.48 116.97 103.87 1gxl h TYR 633 Ca -0.08 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.30 1gxl h TYR 633 Cb 0.64 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.31 1gxl h TYR 633 CO 0.02 0.09 -0.56 -2.13 -0.00 0.00 0.00 178.16 175.58 1gxl n ARG 634 N -3.11 -0.73 0.00 4.88 3.00 -0.93 -4.91 116.66 114.88 1gxl n ARG 634 Ca 0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1gxl n ARG 634 Cb 0.57 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.67 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 -3.17 0.00 -2.31 6.15 4.77 -1.26 -5.04 117.00 116.15 1gxl n LEU 635 Ca -0.11 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.61 1gxl n LEU 635 Cb 0.34 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1gxl n LEU 635 CO 0.44 0.00 0.27 -0.46 -1.33 0.00 0.00 177.39 176.31 1gxl n ASN 636 N 0.00 4.98 -4.82 -1.43 2.04 -1.26 -4.70 115.26 110.06 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 -0.45 -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 -5.13 5.20 0.35 5.53 -4.23 -1.26 -4.55 115.64 111.55 1gxl s THR 637 Ca 0.50 0.65 -0.22 0.00 -1.18 0.00 0.00 61.69 61.44 1gxl s THR 637 Cb 0.41 -3.63 -0.10 0.00 1.34 0.00 0.00 72.50 70.52 1gxl s THR 637 CO -0.10 0.54 0.90 -0.13 -0.54 0.00 0.00 174.62 175.29 1gxl s ARG 638 N -0.69 4.35 -0.03 3.99 1.81 -0.91 -3.98 118.95 123.48 1gxl s ARG 638 Ca 0.21 1.12 -0.00 0.00 -1.72 0.00 0.00 55.73 55.33 1gxl s ARG 638 Cb -0.15 -2.54 0.03 0.00 -0.45 0.00 0.00 34.95 31.84 1gxl s ARG 638 CO 0.09 0.16 0.03 0.42 -0.68 0.00 0.00 175.30 175.32 1gxl s ILE 639 N -1.86 0.02 -0.07 1.52 1.01 -0.81 -1.05 121.20 119.96 1gxl s ILE 639 Ca 0.54 0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.45 1gxl s ILE 639 Cb -0.14 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 1gxl s ILE 639 CO 0.19 0.14 -0.19 0.00 0.00 0.00 0.00 174.94 175.07 1gxl s ALA 640 N 1.36 2.41 0.58 9.38 0.00 -0.28 -0.06 121.76 135.15 1gxl s ALA 640 Ca -0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1gxl s ALA 640 Cb -0.13 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.14 1gxl s ALA 640 CO -0.03 0.41 0.83 0.95 0.00 0.00 0.00 175.76 177.92 1gxl s THR 641 N -0.18 2.73 -0.06 0.00 -4.23 -0.46 -0.68 115.64 112.77 1gxl s THR 641 Ca -0.02 -0.53 0.28 0.00 -1.18 0.00 0.00 61.69 60.24 1gxl s THR 641 Cb -0.14 -3.06 0.33 0.00 1.34 0.00 0.00 72.50 70.97 1gxl s THR 641 CO 0.03 -0.05 1.82 -0.07 -0.54 0.00 0.00 174.62 175.81 1gxl h LEU 642 N -0.07 0.00 0.00 4.79 3.38 -0.96 -2.71 115.31 119.74 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 0.08 -0.08 0.44 0.09 0.00 0.00 178.44 179.51 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 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1gxl h ASP 643 Cb 0.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1gxl h ASP 643 CO 0.01 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.75 1gxl n GLY 644 N 1.25 1.02 3.77 2.75 0.00 -1.02 -5.01 105.19 107.95 1gxl n GLY 644 Ca 0.05 0.00 -0.30 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 -0.19 1.90 -0.04 1.61 8.01 -1.26 -4.81 118.70 123.93 1gxl s GLU 645 Ca 0.00 0.80 -0.05 0.00 0.01 0.00 0.00 54.97 55.74 1gxl s GLU 645 Cb 0.00 -1.88 0.01 0.00 -4.31 0.00 0.00 34.13 27.94 1gxl s GLU 645 CO 0.00 -1.79 0.12 -0.51 0.01 0.00 0.00 175.26 173.09 1gxl s LEU 646 N -5.93 1.57 -0.20 1.80 1.02 -0.18 -1.35 118.68 115.41 1gxl s LEU 646 Ca 0.61 0.14 0.01 0.00 0.02 0.00 0.00 54.13 54.92 1gxl s LEU 646 Cb -0.16 0.45 0.04 0.00 0.02 0.00 0.00 46.19 46.54 1gxl s LEU 646 CO 0.55 -0.11 -0.13 -0.63 0.02 0.00 0.00 176.35 176.05 1gxl s ILE 647 N -0.24 1.84 0.88 -0.59 1.09 0.91 -0.91 121.20 124.17 1gxl s ILE 647 Ca -0.03 -1.07 -0.11 0.00 -1.10 0.00 0.00 60.65 58.35 1gxl s ILE 647 Cb -0.02 -1.83 0.12 0.00 -1.06 0.00 0.00 42.46 39.66 1gxl s ILE 647 CO 0.00 0.26 1.11 -0.94 -0.10 0.00 0.00 174.94 175.28 1gxl s SER 648 N 1.32 3.44 0.39 3.58 1.04 0.29 -1.92 113.70 121.84 1gxl s SER 648 Ca -0.00 1.94 0.16 0.00 0.48 0.00 0.00 55.95 58.53 1gxl s SER 648 Cb -0.16 -2.49 1.04 0.00 0.10 0.00 0.00 66.02 64.51 1gxl s SER 648 CO -0.09 -2.73 1.79 1.23 0.98 0.00 0.00 173.24 174.42 1gxl h GLY 649 N -1.61 1.21 0.56 7.32 0.00 -1.80 -0.08 103.07 108.68 1gxl h GLY 649 Ca -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1gxl h GLY 649 CO 0.47 -0.09 -0.21 0.54 0.00 0.00 0.00 176.54 177.25 1gxl n ARG 650 N -4.62 0.71 0.00 4.80 1.74 -1.26 -4.21 116.66 113.83 1gxl n ARG 650 Ca 0.23 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1gxl n ARG 650 Cb 0.78 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 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 1.33 1.02 3.73 -0.13 0.00 -0.04 -5.10 105.19 106.00 1gxl n GLY 651 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 3.46 -0.24 4.61 0.00 -1.26 -4.74 121.76 121.59 1gxl s ALA 652 Ca 0.00 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 1gxl s ALA 652 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1gxl s ALA 652 CO 0.00 -0.43 0.06 0.42 0.00 0.00 0.00 175.76 175.81 1gxl s ILE 653 N 0.19 4.29 -0.11 0.00 1.01 -1.26 -0.55 121.20 124.78 1gxl s ILE 653 Ca 0.55 -0.18 -0.00 0.00 0.00 0.00 0.00 60.65 61.02 1gxl s ILE 653 Cb -0.33 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1gxl s ILE 653 CO 0.36 0.35 -0.10 -0.89 0.00 0.00 0.00 174.94 174.66 1gxl s THR 654 N 1.52 3.36 0.02 2.92 2.01 -0.09 -4.98 115.64 120.39 1gxl s THR 654 Ca 0.06 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 1gxl s THR 654 Cb -0.15 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 69.96 1gxl s THR 654 CO 0.03 0.54 0.05 0.61 -0.69 0.00 0.00 174.62 175.17 1gxl n GLY 655 N 3.09 1.65 0.00 4.40 0.00 -1.26 -1.01 105.19 112.05 1gxl n GLY 655 Ca -0.18 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.04 2.03 3.30 -0.02 0.00 -1.26 -5.07 105.19 104.14 1gxl n GLY 656 Ca -0.00 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.51 1.43 0.00 1.61 3.52 -1.26 -4.96 118.95 116.77 1gxl s ARG 657 Ca 0.00 -1.78 0.00 0.00 -0.13 0.00 0.00 55.73 53.82 1gxl s ARG 657 Cb 0.00 -0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.25 1gxl s ARG 657 CO 0.00 -0.35 0.00 -0.85 -0.81 0.00 0.00 175.30 173.29 1gxl n GLU 658 N -0.47 0.00 -2.38 5.12 0.28 -1.26 -5.12 120.64 116.81 1gxl n GLU 658 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.58 1gxl n GLU 658 Cb 0.66 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.50 1gxl n GLU 658 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1gxl s GLU 659 N 0.55 4.27 0.00 3.44 8.01 -1.26 -4.78 118.70 128.93 1gxl s GLU 659 Ca 0.00 1.74 0.00 0.00 0.01 0.00 0.00 54.97 56.72 1gxl s GLU 659 Cb 0.00 -3.69 0.00 0.00 -4.31 0.00 0.00 34.13 26.13 1gxl s GLU 659 CO 0.00 -0.62 0.00 -2.13 0.01 0.00 0.00 175.26 172.52 1gxl n ARG 660 N 6.06 0.00 0.00 1.61 0.63 -1.26 -4.82 116.66 118.88 1gxl n ARG 660 Ca 0.13 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.18 1gxl n ARG 660 Cb 0.45 0.00 0.31 0.00 0.45 0.00 0.00 32.46 33.67 1gxl n ARG 660 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1gxl n SER 661 N -0.90 0.42 0.00 6.15 2.88 -1.26 -4.98 113.62 115.94 1gxl n SER 661 Ca 0.00 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1gxl n SER 661 Cb 0.00 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -1.55 0.00 -2.16 -3.46 7.64 -1.26 -4.92 113.62 107.91 1gxl n SER 662 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1gxl n SER 662 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1gxl n SER 662 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1gxl n ASN 663 N 8.90 -4.71 -2.12 6.43 2.85 -1.26 -4.92 115.26 120.43 1gxl n ASN 663 Ca 0.00 1.43 0.00 0.00 -0.11 0.00 0.00 54.58 55.90 1gxl n ASN 663 Cb 0.00 -3.34 0.00 0.00 1.24 0.00 0.00 39.78 37.68 1gxl n ASN 663 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1gxl n VAL 664 N 1.92 0.00 0.00 3.44 0.31 -1.26 -3.87 118.33 118.88 1gxl n VAL 664 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1gxl n VAL 664 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 3.52 3.72 -1.26 -4.65 117.46 118.79 1gxl n PHE 665 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1gxl n PHE 665 Cb 0.00 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 37.82 1gxl n PHE 665 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1gxl n GLU 666 N -0.95 0.00 -0.43 -1.08 2.13 -1.25 0.26 120.64 119.32 1gxl n GLU 666 Ca 0.00 0.42 0.38 0.00 0.66 0.00 0.00 57.16 58.62 1gxl n GLU 666 Cb 0.00 -1.16 0.73 0.00 0.27 0.00 0.00 31.44 31.28 1gxl n GLU 666 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gxl h ARG 667 N 0.00 0.05 0.05 5.31 3.08 -1.90 0.60 114.38 121.58 1gxl h ARG 667 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1gxl h ARG 667 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1gxl h ARG 667 CO 0.00 0.04 -0.03 0.00 -1.07 0.00 0.00 179.97 178.91 1gxl h ARG 668 N 0.06 -0.07 -0.99 0.04 3.08 -1.69 -2.31 114.38 112.49 1gxl h ARG 668 Ca 0.69 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.95 1gxl h ARG 668 Cb 2.58 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 32.54 1gxl h ARG 668 CO -0.09 0.27 0.62 0.82 -1.07 0.00 0.00 179.97 180.51 1gxl h ILE 669 N -0.99 0.66 0.31 2.04 1.08 0.61 0.40 117.51 121.61 1gxl h ILE 669 Ca -0.01 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1gxl h ILE 669 Cb 0.37 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.09 1gxl h ILE 669 CO 0.01 0.12 -0.15 0.50 -0.69 0.00 0.00 178.15 177.94 1gxl h LYS 670 N 0.63 -0.40 0.00 2.37 3.64 -0.00 -1.98 116.57 120.83 1gxl h LYS 670 Ca 0.57 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1gxl h LYS 670 Cb 1.07 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1gxl h LYS 670 CO -0.34 -0.13 -0.01 -0.07 -2.27 0.00 0.00 179.45 176.62 1gxl h LEU 671 N -0.63 0.00 -0.41 5.20 3.38 -0.59 -0.43 115.31 121.84 1gxl h LEU 671 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1gxl h LEU 671 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1gxl h LEU 671 CO 0.07 0.01 -0.20 0.50 0.09 0.00 0.00 178.44 178.91 1gxl h LYS 672 N 0.00 0.85 0.09 1.13 3.11 0.23 -2.22 116.57 119.76 1gxl h LYS 672 Ca -0.00 -0.37 -0.00 0.00 -2.81 0.00 0.00 60.65 57.46 1gxl h LYS 672 Cb 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1gxl h LYS 672 CO 0.00 1.01 -0.04 0.45 -2.81 0.00 0.00 179.45 178.06 1gxl h HIS 673 N 0.67 -0.11 -0.09 1.91 3.86 -0.40 -3.30 115.15 117.70 1gxl h HIS 673 Ca 0.09 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1gxl h HIS 673 Cb 0.76 0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.21 1gxl h HIS 673 CO 0.06 0.43 -0.43 -0.07 0.86 0.00 0.00 177.93 178.77 1gxl h LEU 674 N -0.78 -1.37 -0.50 2.43 3.38 -1.28 0.31 115.31 117.51 1gxl h LEU 674 Ca -0.01 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1gxl h LEU 674 Cb 0.58 0.53 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1gxl h LEU 674 CO 0.02 -0.39 0.00 1.21 0.09 0.00 0.00 178.44 179.37 1gxl n GLU 675 N -4.84 0.25 -0.01 1.13 2.13 -0.84 -1.20 120.64 117.26 1gxl n GLU 675 Ca -0.05 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.76 1gxl n GLU 675 Cb 0.30 -1.06 -0.01 0.00 0.27 0.00 0.00 31.44 30.95 1gxl n GLU 675 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1gxl n GLN 676 N -0.06 0.03 0.27 5.31 7.27 0.49 -4.50 117.38 126.19 1gxl n GLN 676 Ca 0.00 0.01 0.18 0.00 0.07 0.00 0.00 57.00 57.26 1gxl n GLN 676 Cb 0.03 -0.66 0.95 0.00 2.41 0.00 0.00 30.24 32.97 1gxl n GLN 676 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1gxl h GLU 677 N -0.04 0.00 -5.57 3.69 4.81 0.67 -3.33 114.58 114.82 1gxl h GLU 677 Ca -0.03 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.80 1gxl h GLU 677 Cb 1.03 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 1gxl h GLU 677 CO -0.02 0.00 1.27 1.41 -0.73 0.00 0.00 179.01 180.94 1gxl s MET 678 N -3.88 2.79 0.00 1.92 1.75 -0.34 -5.09 119.30 116.45 1gxl s MET 678 Ca -0.03 -1.27 0.00 0.00 -1.25 0.00 0.00 55.69 53.14 1gxl s MET 678 Cb 0.10 -5.29 0.00 0.00 2.84 0.00 0.00 34.83 32.48 1gxl s MET 678 CO 0.36 -3.60 0.00 -1.91 -0.65 0.00 0.00 175.02 169.22