#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxk n ALA 502 N 0.00 0.80 -0.19 2.89 0.00 -1.26 0.16 120.51 122.90 1gxk n ALA 502 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.52 1gxk n ALA 502 Cb 0.00 -0.96 0.13 0.00 0.00 0.00 0.00 19.45 18.62 1gxk n ALA 502 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gxk h VAL 503 N 0.00 1.24 0.25 0.00 2.07 -1.91 -2.68 116.25 115.22 1gxk h VAL 503 Ca 0.00 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1gxk h VAL 503 Cb 0.32 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1gxk h VAL 503 CO 0.00 0.33 -0.20 0.03 0.02 0.00 0.00 177.57 177.75 1gxk h ARG 504 N 0.94 -0.44 -0.76 1.57 3.08 0.10 0.86 114.38 119.73 1gxk h ARG 504 Ca 0.21 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.41 1gxk h ARG 504 Cb 0.29 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.36 1gxk h ARG 504 CO -0.01 -0.29 0.37 0.00 -1.07 0.00 0.00 179.97 178.97 1gxk h ALA 505 N 0.25 1.08 -0.58 0.04 0.00 -1.62 0.39 119.26 118.82 1gxk h ALA 505 Ca -0.01 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1gxk h ALA 505 Cb 0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1gxk h ALA 505 CO -0.01 -0.09 0.16 0.28 0.00 0.00 0.00 179.25 179.59 1gxk h VAL 506 N 0.58 1.23 0.13 0.00 2.07 -1.07 -3.19 116.25 116.00 1gxk h VAL 506 Ca 0.40 -0.81 -0.30 0.00 0.82 0.00 0.00 66.70 66.80 1gxk h VAL 506 Cb 0.50 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1gxk h VAL 506 CO -0.32 0.31 -1.48 -0.26 0.02 0.00 0.00 177.57 175.83 1gxk h PHE 507 N 0.86 0.52 0.00 1.57 -1.00 0.22 -3.17 116.94 115.94 1gxk h PHE 507 Ca 0.19 -0.38 0.00 0.00 2.81 0.00 0.00 57.97 60.59 1gxk h PHE 507 Cb 0.28 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1gxk h PHE 507 CO 0.02 1.39 0.00 -0.85 -1.61 0.00 0.00 178.31 177.26 1gxk n GLU 508 N -3.50 0.67 -0.79 1.51 0.28 0.13 -0.79 120.64 118.15 1gxk n GLU 508 Ca -0.15 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.81 1gxk n GLU 508 Cb 1.05 -1.27 -0.04 0.00 1.43 0.00 0.00 31.44 32.60 1gxk n GLU 508 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1gxk n GLU 509 N 0.35 0.00 -0.19 3.44 1.02 -1.24 -4.97 120.64 119.05 1gxk n GLU 509 Ca 0.00 -0.59 0.30 0.00 -0.02 0.00 0.00 57.16 56.85 1gxk n GLU 509 Cb 0.23 0.28 0.69 0.00 -0.02 0.00 0.00 31.44 32.61 1gxk n GLU 509 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1gxk h LYS 510 N 0.01 0.00 -0.82 3.49 2.10 -0.93 0.15 116.57 120.57 1gxk h LYS 510 Ca -0.32 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.34 1gxk h LYS 510 Cb 1.24 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.53 1gxk h LYS 510 CO -0.16 0.00 0.54 0.93 -2.00 0.00 0.00 179.45 178.76 1gxk h GLU 511 N 0.00 1.08 0.00 0.07 4.39 -1.90 -0.65 114.58 117.57 1gxk h GLU 511 Ca 0.46 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1gxk h GLU 511 Cb 2.14 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1gxk h GLU 511 CO -0.00 0.71 0.03 0.00 -1.16 0.00 0.00 179.01 178.59 1gxk h ARG 512 N 1.11 0.00 -4.38 2.33 3.08 -1.07 -3.38 114.38 112.06 1gxk h ARG 512 Ca 0.30 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.73 1gxk h ARG 512 Cb -0.12 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.54 1gxk h ARG 512 CO -0.07 0.00 -0.78 -0.06 -1.07 0.00 0.00 179.97 178.00 1gxk s PHE 513 N -3.99 2.60 -0.00 3.04 0.40 -0.25 -5.03 117.98 114.75 1gxk s PHE 513 Ca -0.04 -1.97 -0.24 0.00 -0.60 0.00 0.00 56.93 54.08 1gxk s PHE 513 Cb 0.11 -1.79 -0.13 0.00 0.51 0.00 0.00 43.02 41.71 1gxk s PHE 513 CO 0.34 -0.82 0.98 -1.00 0.70 0.00 0.00 175.22 175.43 1gxk h PRO 514 N 7.90 -0.79 0.00 0.24 0.13 -1.75 -3.28 132.00 134.45 1gxk h PRO 514 Ca -0.16 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1gxk h PRO 514 Cb 1.06 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1gxk h PRO 514 CO 0.44 -0.52 0.01 0.41 -0.23 0.00 0.00 178.00 178.11 1gxk n GLY 515 N -0.35 -0.28 3.49 1.56 0.00 -1.26 -4.83 105.19 103.52 1gxk n GLY 515 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1gxk n GLY 515 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1gxk n LEU 516 N -1.27 0.94 0.00 0.99 7.94 -1.24 0.03 117.00 124.39 1gxk n LEU 516 Ca 0.00 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 1gxk n LEU 516 Cb 0.01 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 42.76 1gxk n LEU 516 CO 0.00 -2.66 0.00 0.52 -1.11 0.00 0.00 177.39 174.14 1gxk n VAL 517 N -1.17 0.00 0.00 1.96 0.31 -0.54 -4.77 118.33 114.12 1gxk n VAL 517 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1gxk n VAL 517 Cb 0.43 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1gxk n VAL 517 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1gxk n ASP 518 N -1.74 0.00 -4.81 4.52 -0.08 -1.18 -5.01 116.55 108.25 1gxk n ASP 518 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 1gxk n ASP 518 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1gxk n ASP 518 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1gxk s VAL 519 N -2.00 4.37 0.01 5.18 -7.23 -1.26 -1.58 120.40 117.89 1gxk s VAL 519 Ca 0.00 1.55 -0.02 0.00 -1.81 0.00 0.00 61.98 61.70 1gxk s VAL 519 Cb 0.00 -3.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.13 1gxk s VAL 519 CO 0.00 -0.05 1.03 0.58 -0.31 0.00 0.00 175.10 176.35 1gxk h VAL 520 N 2.31 0.00 -0.56 1.32 2.07 -1.29 -2.36 116.25 117.73 1gxk h VAL 520 Ca -0.48 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.24 1gxk h VAL 520 Cb 1.19 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 1gxk h VAL 520 CO 0.64 0.00 0.17 -1.54 0.02 0.00 0.00 177.57 176.85 1gxk n SER 521 N -2.82 0.08 0.37 0.57 3.41 -0.86 -0.20 113.62 114.17 1gxk n SER 521 Ca -0.00 0.95 -0.16 0.00 -0.26 0.00 0.00 58.87 59.40 1gxk n SER 521 Cb 0.02 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 1gxk n SER 521 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1gxk h ASN 522 N 0.00 -0.81 -0.06 4.04 4.21 -1.72 -3.27 115.58 117.97 1gxk h ASN 522 Ca 0.42 0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.90 1gxk h ASN 522 Cb 1.01 0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 38.40 1gxk h ASN 522 CO -0.48 -0.45 0.05 0.00 -1.29 0.00 0.00 177.43 175.26 1gxk n LEU 523 N -5.43 4.82 -3.91 1.61 -0.00 0.73 -4.82 117.00 110.01 1gxk n LEU 523 Ca -0.12 -2.26 -0.12 0.00 -0.00 0.00 0.00 56.01 53.51 1gxk n LEU 523 Cb 0.39 -0.94 -0.14 0.00 -0.00 0.00 0.00 43.42 42.73 1gxk n LEU 523 CO 0.31 0.89 -0.37 -0.51 -0.00 0.00 0.00 177.39 177.71 1gxk s ILE 524 N -0.26 0.10 -0.18 1.47 2.07 -1.12 -4.54 121.20 118.73 1gxk s ILE 524 Ca 0.04 -0.20 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 1gxk s ILE 524 Cb 0.03 -0.12 0.03 0.00 0.13 0.00 0.00 42.46 42.53 1gxk s ILE 524 CO 0.00 -0.07 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.19 1gxk s GLU 525 N -0.28 2.63 -0.14 3.50 8.01 -0.91 -4.97 118.70 126.54 1gxk s GLU 525 Ca -0.02 -0.79 0.02 0.00 0.01 0.00 0.00 54.97 54.19 1gxk s GLU 525 Cb -0.02 -2.44 0.01 0.00 -4.31 0.00 0.00 34.13 27.37 1gxk s GLU 525 CO -0.00 -0.27 -0.21 0.54 0.01 0.00 0.00 175.26 175.33 1gxk s VAL 526 N 1.35 1.98 -0.43 2.63 0.11 -1.26 -0.99 120.40 123.78 1gxk s VAL 526 Ca 0.03 -0.93 -0.33 0.00 -2.93 0.00 0.00 61.98 57.83 1gxk s VAL 526 Cb -0.14 -1.76 -0.11 0.00 -1.53 0.00 0.00 36.38 32.83 1gxk s VAL 526 CO -0.11 0.53 2.29 -0.67 -3.33 0.00 0.00 175.10 173.81 1gxk n ASP 527 N 4.17 2.04 -0.47 3.54 4.64 -1.23 -4.77 116.55 124.46 1gxk n ASP 527 Ca -0.20 0.21 0.38 0.00 -1.38 0.00 0.00 54.79 53.81 1gxk n ASP 527 Cb 0.51 -1.30 0.62 0.00 -1.04 0.00 0.00 41.12 39.91 1gxk n ASP 527 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 1gxk n GLU 528 N 8.41 -0.02 0.00 -0.67 4.07 -1.26 -2.44 120.64 128.74 1gxk n GLU 528 Ca 0.43 1.02 0.00 0.00 -0.06 0.00 0.00 57.16 58.54 1gxk n GLU 528 Cb 0.28 -2.12 0.00 0.00 -0.06 0.00 0.00 31.44 29.54 1gxk n GLU 528 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1gxk n LYS 529 N -4.14 0.00 -1.29 5.31 3.00 -1.26 -2.11 118.16 117.67 1gxk n LYS 529 Ca 0.36 0.74 -0.30 0.00 -0.00 0.00 0.00 58.31 59.11 1gxk n LYS 529 Cb 1.47 -1.34 0.06 0.00 0.00 0.00 0.00 35.03 35.22 1gxk n LYS 529 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1gxk n TYR 530 N -2.20 2.68 0.02 5.64 4.02 -1.02 -4.60 117.16 121.70 1gxk n TYR 530 Ca 0.00 -2.63 -0.12 0.00 -0.01 0.00 0.00 57.90 55.15 1gxk n TYR 530 Cb 0.00 -1.30 -0.07 0.00 -0.02 0.00 0.00 39.34 37.95 1gxk n TYR 530 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1gxk h SER 531 N 2.03 0.05 -0.67 7.72 0.87 -1.39 -2.68 113.55 119.49 1gxk h SER 531 Ca 0.51 -0.07 0.06 0.00 -1.23 0.00 0.00 61.79 61.06 1gxk h SER 531 Cb 0.74 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.63 1gxk h SER 531 CO 1.33 0.11 0.36 0.25 -0.53 0.00 0.00 176.83 178.34 1gxk h LEU 532 N -0.01 0.52 -0.14 2.23 6.46 -1.82 -0.07 115.31 122.48 1gxk h LEU 532 Ca 0.01 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1gxk h LEU 532 Cb 0.07 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1gxk h LEU 532 CO -0.00 0.33 0.05 0.00 -0.62 0.00 0.00 178.44 178.20 1gxk h ALA 533 N 1.36 0.15 -0.38 1.25 0.00 -1.76 -2.37 119.26 117.51 1gxk h ALA 533 Ca 0.30 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1gxk h ALA 533 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1gxk h ALA 533 CO -0.20 -0.40 0.20 0.28 0.00 0.00 0.00 179.25 179.13 1gxk h VAL 534 N 0.12 1.00 -0.46 0.00 2.07 -1.11 -1.91 116.25 115.96 1gxk h VAL 534 Ca 0.06 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1gxk h VAL 534 Cb 0.03 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.26 1gxk h VAL 534 CO -0.06 0.07 -0.34 -1.28 0.02 0.00 0.00 177.57 175.99 1gxk h SER 535 N 0.40 -1.14 0.23 0.57 0.87 -0.65 0.49 113.55 114.32 1gxk h SER 535 Ca 0.16 0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 1gxk h SER 535 Cb 0.05 0.54 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1gxk h SER 535 CO -0.10 -0.32 -0.34 -0.37 -0.53 0.00 0.00 176.83 175.18 1gxk h VAL 536 N -0.23 1.27 -0.16 2.23 -1.51 -1.25 -1.73 116.25 114.87 1gxk h VAL 536 Ca 0.19 -1.28 -0.09 0.00 -1.23 0.00 0.00 66.70 64.29 1gxk h VAL 536 Cb 0.54 1.58 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 1gxk h VAL 536 CO -0.58 0.38 -0.31 0.25 -1.23 0.00 0.00 177.57 176.08 1gxk h LEU 537 N 0.14 0.32 0.32 4.19 6.46 -0.06 -3.21 115.31 123.48 1gxk h LEU 537 Ca 0.02 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1gxk h LEU 537 Cb 0.67 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1gxk h LEU 537 CO 0.05 0.62 -0.16 -0.07 -0.62 0.00 0.00 178.44 178.27 1gxk h LEU 538 N 0.28 -0.37 0.00 2.25 3.38 0.40 -3.49 115.31 117.76 1gxk h LEU 538 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1gxk h LEU 538 Cb 0.68 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1gxk h LEU 538 CO 0.05 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1gxk n GLY 539 N 0.64 0.27 0.25 0.83 0.00 -0.70 -3.57 105.19 102.92 1gxk n GLY 539 Ca -0.06 -1.05 0.11 0.00 0.00 0.00 0.00 46.02 45.02 1gxk n GLY 539 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1gxk h GLY 540 N 0.00 0.00 0.95 -0.02 0.00 -1.93 -3.08 103.07 98.99 1gxk h GLY 540 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gxk h GLY 540 CO 0.00 0.00 0.20 -1.30 0.00 0.00 0.00 176.54 175.44 1gxk n THR 541 N -3.77 0.86 0.50 4.70 -2.24 -1.23 -0.22 114.28 112.88 1gxk n THR 541 Ca -0.02 0.41 0.09 0.00 -2.27 0.00 0.00 64.05 62.26 1gxk n THR 541 Cb 0.24 -1.41 0.38 0.00 -2.10 0.00 0.00 70.33 67.44 1gxk n THR 541 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gxk n ALA 542 N -1.17 1.72 -1.19 6.98 0.00 -1.17 -2.39 120.51 123.28 1gxk n ALA 542 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1gxk n ALA 542 Cb 0.20 -1.30 0.16 0.00 0.00 0.00 0.00 19.45 18.51 1gxk n ALA 542 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1gxk n GLN 543 N -1.74 1.42 -2.55 0.00 6.02 0.69 -2.04 117.38 119.18 1gxk n GLN 543 Ca 0.03 -2.77 -0.41 0.00 -0.01 0.00 0.00 57.00 53.85 1gxk n GLN 543 Cb 0.20 -1.55 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 1gxk n GLN 543 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1gxk s ASN 544 N -2.92 7.29 -0.09 1.08 0.02 -1.01 -4.74 114.94 114.58 1gxk s ASN 544 Ca 0.34 2.00 -0.20 0.00 -1.02 0.00 0.00 52.86 53.98 1gxk s ASN 544 Cb 0.30 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.94 1gxk s ASN 544 CO 0.01 -0.22 0.57 -0.63 0.02 0.00 0.00 177.10 176.85 1gxk s ILE 545 N 0.02 5.12 -0.32 0.60 1.01 -0.54 -1.12 121.20 125.97 1gxk s ILE 545 Ca 0.50 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 62.20 1gxk s ILE 545 Cb -0.28 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1gxk s ILE 545 CO 0.33 0.30 0.21 -0.69 0.00 0.00 0.00 174.94 175.09 1gxk s VAL 546 N 0.65 5.16 0.29 2.92 1.01 -0.61 0.21 120.40 130.04 1gxk s VAL 546 Ca 0.31 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.20 1gxk s VAL 546 Cb -0.16 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1gxk s VAL 546 CO 0.14 0.05 0.02 0.68 0.00 0.00 0.00 175.10 175.99 1gxk s VAL 547 N 1.71 3.23 -0.00 2.92 -7.23 -0.85 -1.46 120.40 118.71 1gxk s VAL 547 Ca 0.06 -1.90 -0.14 0.00 -1.81 0.00 0.00 61.98 58.19 1gxk s VAL 547 Cb -0.17 -2.84 -0.34 0.00 0.56 0.00 0.00 36.38 33.59 1gxk s VAL 547 CO 0.10 -0.32 0.86 0.03 -0.31 0.00 0.00 175.10 175.47 1gxk h ARG 548 N 1.82 0.49 -6.24 4.82 3.08 -0.69 0.25 114.38 117.90 1gxk h ARG 548 Ca -0.44 -0.83 -0.58 0.00 0.07 0.00 0.00 59.98 58.20 1gxk h ARG 548 Cb 1.25 0.31 -0.19 0.00 0.08 0.00 0.00 29.97 31.42 1gxk h ARG 548 CO 0.62 1.40 -0.81 0.54 -1.07 0.00 0.00 179.97 180.65 1gxk s ASN 549 N -7.47 2.94 0.28 7.04 2.20 -1.26 -3.25 114.94 115.41 1gxk s ASN 549 Ca -0.12 -0.83 -0.02 0.00 -0.94 0.00 0.00 52.86 50.95 1gxk s ASN 549 Cb 0.05 -0.19 0.38 0.00 -2.00 0.00 0.00 41.25 39.49 1gxk s ASN 549 CO 0.91 0.04 1.85 0.58 -2.94 0.00 0.00 177.10 177.54 1gxk h VAL 550 N 3.40 1.22 -0.81 3.54 2.07 -1.92 -2.63 116.25 121.13 1gxk h VAL 550 Ca -0.45 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.42 1gxk h VAL 550 Cb 1.20 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1gxk h VAL 550 CO 0.47 0.29 0.53 0.44 0.02 0.00 0.00 177.57 179.32 1gxk h ASP 551 N 0.91 0.77 0.25 0.57 5.19 -1.99 0.01 116.42 122.12 1gxk h ASP 551 Ca 0.21 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.50 1gxk h ASP 551 Cb 0.20 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1gxk h ASP 551 CO -0.02 0.49 -0.50 0.74 -3.12 0.00 0.00 179.24 176.83 1gxk h THR 552 N 0.87 1.34 0.00 0.35 2.02 -1.90 -1.76 112.91 113.83 1gxk h THR 552 Ca 0.35 -1.74 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 1gxk h THR 552 Cb 0.25 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1gxk h THR 552 CO -0.13 0.52 -0.00 0.00 0.37 0.00 0.00 175.52 176.28 1gxk h ALA 553 N 1.25 -0.00 -0.26 6.16 0.00 -0.90 -1.53 119.26 123.97 1gxk h ALA 553 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1gxk h ALA 553 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1gxk h ALA 553 CO 0.08 -0.40 0.08 0.87 0.00 0.00 0.00 179.25 179.88 1gxk h LYS 554 N -0.20 0.36 -0.43 0.00 1.57 -1.04 -0.59 116.57 116.25 1gxk h LYS 554 Ca -0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1gxk h LYS 554 Cb 0.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1gxk h LYS 554 CO 0.00 0.32 0.10 0.00 -0.57 0.00 0.00 179.45 179.31 1gxk h ALA 555 N 1.73 0.57 0.10 3.86 0.00 -1.02 0.66 119.26 125.16 1gxk h ALA 555 Ca 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1gxk h ALA 555 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1gxk h ALA 555 CO -0.01 0.25 -0.05 0.82 0.00 0.00 0.00 179.25 180.27 1gxk h ILE 556 N 0.56 1.03 -0.35 0.00 2.04 -0.47 0.42 117.51 120.74 1gxk h ILE 556 Ca 0.14 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.61 1gxk h ILE 556 Cb 0.32 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 1gxk h ILE 556 CO 0.00 0.11 -0.17 0.58 0.00 0.00 0.00 178.15 178.67 1gxk h VAL 557 N -0.34 0.48 -0.44 1.67 2.07 -0.98 0.54 116.25 119.24 1gxk h VAL 557 Ca -0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1gxk h VAL 557 Cb 0.29 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1gxk h VAL 557 CO 0.02 0.00 0.06 -0.33 0.02 0.00 0.00 177.57 177.34 1gxk h GLU 558 N -0.12 0.68 0.10 1.57 4.39 -0.73 0.12 114.58 120.58 1gxk h GLU 558 Ca 0.18 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1gxk h GLU 558 Cb 0.39 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1gxk h GLU 558 CO -0.42 0.65 -0.05 0.35 -1.16 0.00 0.00 179.01 178.38 1gxk h PHE 559 N 0.65 -0.13 -0.51 4.33 3.57 0.19 -2.41 116.94 122.64 1gxk h PHE 559 Ca 0.14 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1gxk h PHE 559 Cb 0.32 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1gxk h PHE 559 CO 0.01 0.08 0.19 -0.07 -2.23 0.00 0.00 178.31 176.29 1gxk h LEU 560 N -0.31 0.72 -0.96 0.59 3.38 0.14 -2.16 115.31 116.71 1gxk h LEU 560 Ca -0.01 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 57.89 1gxk h LEU 560 Cb 0.26 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 1gxk h LEU 560 CO 0.02 0.71 0.59 0.11 0.09 0.00 0.00 178.44 179.96 1gxk h LYS 561 N 0.69 0.89 0.12 1.13 1.57 -0.93 1.23 116.57 121.27 1gxk h LYS 561 Ca 0.17 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1gxk h LYS 561 Cb 0.23 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1gxk h LYS 561 CO -0.01 0.59 -0.06 1.96 -0.57 0.00 0.00 179.45 181.36 1gxk h GLN 562 N 0.91 -0.16 0.00 3.15 4.20 -1.14 -3.23 115.11 118.85 1gxk h GLN 562 Ca 0.48 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.21 1gxk h GLN 562 Cb 0.51 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1gxk h GLN 562 CO -0.28 -0.11 0.00 0.09 -0.67 0.00 0.00 178.83 177.86 1gxk n ASN 563 N -2.65 0.00 -1.63 1.46 4.13 -0.84 -4.82 115.26 110.92 1gxk n ASN 563 Ca -0.02 0.46 -0.12 0.00 1.68 0.00 0.00 54.58 56.58 1gxk n ASN 563 Cb 0.06 -0.47 -0.04 0.00 -1.54 0.00 0.00 39.78 37.79 1gxk n ASN 563 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1gxk n GLU 564 N -1.47 -1.51 0.00 3.52 1.02 0.42 -4.77 120.64 117.84 1gxk n GLU 564 Ca 0.01 0.68 0.01 0.00 -0.02 0.00 0.00 57.16 57.85 1gxk n GLU 564 Cb 0.06 -5.00 0.06 0.00 -0.02 0.00 0.00 31.44 26.54 1gxk n GLU 564 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gxk n ALA 565 N -0.28 1.61 0.00 0.62 0.00 -1.18 -4.92 120.51 116.36 1gxk n ALA 565 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1gxk n ALA 565 Cb 0.45 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1gxk n ALA 565 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gxk n GLY 566 N -0.67 -0.08 3.59 0.00 0.00 -1.26 -4.59 105.19 102.19 1gxk n GLY 566 Ca 0.02 -2.27 -0.23 0.00 0.00 0.00 0.00 46.02 43.53 1gxk n GLY 566 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gxk s ARG 567 N 0.00 2.11 0.31 1.61 0.52 -1.26 -4.72 118.95 117.52 1gxk s ARG 567 Ca 0.00 -1.50 -0.08 0.00 -0.52 0.00 0.00 55.73 53.62 1gxk s ARG 567 Cb 0.00 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.42 1gxk s ARG 567 CO 0.00 0.36 0.52 0.14 0.02 0.00 0.00 175.30 176.34 1gxk s VAL 568 N -2.33 0.00 -0.08 3.52 -7.23 -1.26 -4.67 120.40 108.34 1gxk s VAL 568 Ca 0.31 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1gxk s VAL 568 Cb -0.06 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.38 1gxk s VAL 568 CO 0.18 0.00 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.93 1gxk s THR 569 N -3.32 1.41 -0.04 5.32 2.01 -1.26 -5.09 115.64 114.67 1gxk s THR 569 Ca 0.25 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.67 1gxk s THR 569 Cb -0.01 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1gxk s THR 569 CO 0.15 0.42 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.69 1gxk s ILE 570 N 0.64 2.80 -0.70 1.82 1.01 -1.26 -1.47 121.20 124.05 1gxk s ILE 570 Ca -0.14 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 1gxk s ILE 570 Cb -0.16 -2.08 0.17 0.00 0.01 0.00 0.00 42.46 40.41 1gxk s ILE 570 CO 0.04 0.57 0.52 -0.76 0.00 0.00 0.00 174.94 175.31 1gxk s LEU 571 N -0.75 5.13 -0.20 2.97 1.43 0.58 -4.92 118.68 122.92 1gxk s LEU 571 Ca 0.11 -3.29 -0.29 0.00 -1.03 0.00 0.00 54.13 49.64 1gxk s LEU 571 Cb -0.10 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1gxk s LEU 571 CO 0.00 -0.25 1.67 -2.16 0.23 0.00 0.00 176.35 175.85 1gxk s PRO 572 N -0.69 3.80 0.43 1.29 0.04 -1.26 -2.01 135.00 136.61 1gxk s PRO 572 Ca 0.21 1.77 0.25 0.00 0.04 0.00 0.00 61.00 63.27 1gxk s PRO 572 Cb -0.15 -4.06 1.34 0.00 0.04 0.00 0.00 34.50 31.68 1gxk s PRO 572 CO -0.07 -1.30 1.73 -0.07 0.04 0.00 0.00 177.00 177.33 1gxk h LEU 573 N 11.75 0.00 -0.87 -3.56 3.38 -1.02 -0.42 115.31 124.57 1gxk h LEU 573 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1gxk h LEU 573 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1gxk h LEU 573 CO 0.99 0.00 -0.18 -0.90 0.09 0.00 0.00 178.44 178.44 1gxk n ASP 574 N -2.44 1.54 0.00 -0.43 5.75 -1.20 -4.45 116.55 115.31 1gxk n ASP 574 Ca -0.02 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1gxk n ASP 574 Cb 0.17 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1gxk n ASP 574 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1gxk n LEU 575 N -0.08 0.68 -4.73 -2.12 7.94 -0.23 -5.01 117.00 113.45 1gxk n LEU 575 Ca 0.14 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.69 1gxk n LEU 575 Cb 0.40 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.42 1gxk n LEU 575 CO 0.22 0.11 0.84 0.27 -1.11 0.00 0.00 177.39 177.73 1gxk s ILE 576 N -1.74 2.26 -0.17 1.96 -4.36 -0.85 -5.03 121.20 113.27 1gxk s ILE 576 Ca 0.00 0.15 -0.02 0.00 -0.26 0.00 0.00 60.65 60.51 1gxk s ILE 576 Cb 0.00 -2.90 -0.01 0.00 1.25 0.00 0.00 42.46 40.80 1gxk s ILE 576 CO 0.00 -0.05 -0.08 -0.62 0.24 0.00 0.00 174.94 174.43 1gxk s ASP 577 N -1.73 4.21 -0.11 4.36 3.68 -1.26 -5.00 116.67 120.83 1gxk s ASP 577 Ca 0.78 -0.34 0.14 0.00 2.13 0.00 0.00 52.55 55.26 1gxk s ASP 577 Cb -0.32 -1.68 0.45 0.00 -1.45 0.00 0.00 42.92 39.91 1gxk s ASP 577 CO 0.41 0.08 1.37 0.61 0.13 0.00 0.00 175.17 177.77 1gxk n GLY 578 N 4.10 3.51 3.79 2.66 0.00 -1.26 -3.90 105.19 114.10 1gxk n GLY 578 Ca -0.18 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 1gxk n GLY 578 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gxk s SER 579 N -1.54 5.56 -0.26 1.61 1.04 -1.26 -4.03 113.70 114.81 1gxk s SER 579 Ca 0.35 1.85 -0.34 0.00 0.48 0.00 0.00 55.95 58.29 1gxk s SER 579 Cb 0.26 -2.54 0.16 0.00 0.10 0.00 0.00 66.02 64.01 1gxk s SER 579 CO 0.12 -1.32 1.33 0.72 0.98 0.00 0.00 173.24 175.06 1gxk s PHE 580 N -2.46 -0.06 -0.03 5.02 -0.12 -1.26 -4.78 117.98 114.29 1gxk s PHE 580 Ca 0.64 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.59 1gxk s PHE 580 Cb -0.17 0.50 0.01 0.00 -0.63 0.00 0.00 43.02 42.73 1gxk s PHE 580 CO 0.39 -0.07 -0.03 -0.80 -0.05 0.00 0.00 175.22 174.66 1gxk s ASN 581 N -1.68 0.66 0.83 1.98 -0.87 -1.26 -4.96 114.94 109.65 1gxk s ASN 581 Ca 0.10 -0.09 -0.11 0.00 -1.57 0.00 0.00 52.86 51.19 1gxk s ASN 581 Cb -0.01 -0.25 0.09 0.00 -0.02 0.00 0.00 41.25 41.06 1gxk s ASN 581 CO -0.05 -0.03 1.09 -0.13 -2.57 0.00 0.00 177.10 175.42 1gxk s ARG 582 N 0.59 1.77 -0.23 -0.60 0.52 -1.26 -4.64 118.95 115.10 1gxk s ARG 582 Ca -0.07 0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 55.92 1gxk s ARG 582 Cb -0.10 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.52 1gxk s ARG 582 CO -0.00 -1.88 -0.09 0.42 0.02 0.00 0.00 175.30 173.76 1gxk s ILE 583 N -3.02 2.76 0.15 1.52 1.01 -1.26 -5.08 121.20 117.28 1gxk s ILE 583 Ca 0.62 -0.92 -0.31 0.00 0.00 0.00 0.00 60.65 60.03 1gxk s ILE 583 Cb -0.16 -2.33 -0.11 0.00 0.01 0.00 0.00 42.46 39.87 1gxk s ILE 583 CO 0.56 0.31 1.74 -0.44 0.00 0.00 0.00 174.94 177.11 1gxk s SER 584 N 1.34 6.45 0.00 3.58 0.01 -1.26 -2.77 113.70 121.04 1gxk s SER 584 Ca 0.02 2.75 0.00 0.00 1.31 0.00 0.00 55.95 60.03 1gxk s SER 584 Cb -0.15 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1gxk s SER 584 CO -0.06 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.24 1gxk n GLY 585 N 4.05 2.35 0.37 3.44 0.00 -1.26 -4.93 105.19 109.22 1gxk n GLY 585 Ca 0.16 -0.45 0.15 0.00 0.00 0.00 0.00 46.02 45.89 1gxk n GLY 585 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gxk h LEU 586 N 0.00 0.35 -1.99 0.99 3.38 -1.94 -0.92 115.31 115.18 1gxk h LEU 586 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1gxk h LEU 586 Cb 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1gxk h LEU 586 CO 0.00 0.19 -0.06 1.05 0.09 0.00 0.00 178.44 179.71 1gxk h GLU 587 N 0.37 0.00 -0.01 1.13 9.09 -1.92 -1.41 114.58 121.83 1gxk h GLU 587 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 1gxk h GLU 587 Cb 0.81 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.91 1gxk h GLU 587 CO -0.10 0.06 -0.10 0.09 0.05 0.00 0.00 179.01 179.01 1gxk n ASN 588 N -4.29 1.56 -4.76 3.06 3.02 -0.36 -4.89 115.26 108.61 1gxk n ASN 588 Ca -0.03 -1.38 -0.32 0.00 -0.03 0.00 0.00 54.58 52.82 1gxk n ASN 588 Cb 0.14 0.07 0.08 0.00 -0.61 0.00 0.00 39.78 39.46 1gxk n ASN 588 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1gxk s GLU 589 N -2.17 2.34 -0.11 3.52 0.41 -0.53 -4.98 118.70 117.17 1gxk s GLU 589 Ca 0.32 1.28 -0.23 0.00 -0.41 0.00 0.00 54.97 55.92 1gxk s GLU 589 Cb 0.20 -1.90 -0.03 0.00 -1.78 0.00 0.00 34.13 30.62 1gxk s GLU 589 CO 0.40 -1.59 0.71 1.03 -0.49 0.00 0.00 175.26 175.31 1gxk s ARG 590 N -4.62 4.37 0.00 1.61 1.81 -1.26 -3.44 118.95 117.42 1gxk s ARG 590 Ca 0.64 0.86 0.00 0.00 -1.72 0.00 0.00 55.73 55.50 1gxk s ARG 590 Cb -0.19 -3.49 0.00 0.00 -0.45 0.00 0.00 34.95 30.82 1gxk s ARG 590 CO 0.51 -0.05 0.00 0.41 -0.68 0.00 0.00 175.30 175.49 1gxk n GLY 591 N 3.28 3.22 3.64 -3.53 0.00 -1.26 -4.89 105.19 105.65 1gxk n GLY 591 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 1gxk n GLY 591 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1gxk n PHE 592 N -1.25 1.70 -0.09 1.61 7.35 -1.22 -1.77 117.46 123.79 1gxk n PHE 592 Ca 0.00 0.63 -0.17 0.00 -0.76 0.00 0.00 57.45 57.15 1gxk n PHE 592 Cb 0.00 -2.37 -0.06 0.00 0.35 0.00 0.00 39.48 37.40 1gxk n PHE 592 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1gxk n VAL 593 N 3.38 1.36 0.00 -2.13 0.31 -0.53 -4.91 118.33 115.80 1gxk n VAL 593 Ca 0.22 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1gxk n VAL 593 Cb 0.15 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 1gxk n VAL 593 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gxk n GLY 594 N 1.65 -0.30 3.87 2.92 0.00 -1.16 -5.00 105.19 107.17 1gxk n GLY 594 Ca -0.31 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 1gxk n GLY 594 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gxk s TYR 595 N -2.00 3.55 0.02 1.61 1.51 -1.26 -1.23 117.35 119.55 1gxk s TYR 595 Ca 0.00 1.17 -0.13 0.00 -1.01 0.00 0.00 57.07 57.10 1gxk s TYR 595 Cb 0.00 -2.58 -0.07 0.00 -0.11 0.00 0.00 41.96 39.20 1gxk s TYR 595 CO 0.00 -0.41 1.20 0.00 -1.11 0.00 0.00 175.55 175.23 1gxk h ALA 596 N 0.38 -1.03 -0.76 3.71 0.00 -1.48 -3.04 119.26 117.03 1gxk h ALA 596 Ca -0.46 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.53 1gxk h ALA 596 Cb 1.19 0.28 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 1gxk h ALA 596 CO 0.62 -1.02 -0.12 1.55 0.00 0.00 0.00 179.25 180.28 1gxk n VAL 597 N -3.33 -0.32 0.30 0.00 3.14 -1.26 0.11 118.33 116.96 1gxk n VAL 597 Ca -0.05 1.72 0.17 0.00 -2.96 0.00 0.00 64.34 63.22 1gxk n VAL 597 Cb 0.18 -2.43 0.83 0.00 -1.06 0.00 0.00 33.84 31.36 1gxk n VAL 597 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1gxk h ASP 598 N 0.00 0.00 -0.53 6.55 3.32 -1.91 -2.65 116.42 121.20 1gxk h ASP 598 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1gxk h ASP 598 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1gxk h ASP 598 CO -0.76 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 176.94 1gxk n LEU 599 N -2.79 4.84 -3.97 1.55 4.77 0.31 -4.96 117.00 116.76 1gxk n LEU 599 Ca -0.01 -2.70 -0.09 0.00 -0.03 0.00 0.00 56.01 53.18 1gxk n LEU 599 Cb 0.16 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 1gxk n LEU 599 CO 0.20 0.72 -0.28 -0.69 -1.33 0.00 0.00 177.39 176.01 1gxk s VAL 600 N -2.31 0.13 0.02 4.08 1.01 -1.00 -3.53 120.40 118.82 1gxk s VAL 600 Ca 0.49 -1.10 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1gxk s VAL 600 Cb 0.35 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1gxk s VAL 600 CO 0.18 -0.61 -0.18 -0.75 0.00 0.00 0.00 175.10 173.74 1gxk s LYS 601 N -2.29 1.31 -0.02 2.72 2.36 -0.16 -4.94 119.74 118.71 1gxk s LYS 601 Ca -0.08 -0.81 0.02 0.00 -2.55 0.00 0.00 55.97 52.55 1gxk s LYS 601 Cb -0.03 -1.36 0.01 0.00 -1.05 0.00 0.00 37.83 35.40 1gxk s LYS 601 CO -0.04 0.35 -0.05 -0.06 1.55 0.00 0.00 175.35 177.10 1gxk s PHE 602 N -0.69 0.65 -0.92 4.03 2.99 -1.26 -2.15 117.98 120.63 1gxk s PHE 602 Ca 0.06 -0.15 -0.20 0.00 0.00 0.00 0.00 56.93 56.65 1gxk s PHE 602 Cb -0.08 -0.51 -0.25 0.00 0.00 0.00 0.00 43.02 42.18 1gxk s PHE 602 CO 0.01 -0.10 2.39 -0.35 -0.00 0.00 0.00 175.22 177.17 1gxk n PRO 603 N 3.50 0.18 0.00 0.24 -0.04 -1.26 -4.65 135.00 132.97 1gxk n PRO 603 Ca -0.20 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 1gxk n PRO 603 Cb 0.54 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1gxk n PRO 603 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1gxk n SER 604 N 9.93 0.00 -0.08 3.54 2.88 -1.26 -0.79 113.62 127.83 1gxk n SER 604 Ca 0.61 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 58.31 1gxk n SER 604 Cb 0.19 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.21 1gxk n SER 604 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1gxk h ASP 605 N 0.00 0.26 -0.04 -3.46 2.03 -2.07 -2.21 116.42 110.93 1gxk h ASP 605 Ca 0.00 0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 56.28 1gxk h ASP 605 Cb 0.00 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.44 1gxk h ASP 605 CO 0.00 0.14 0.03 0.18 -1.03 0.00 0.00 179.24 178.57 1gxk n LEU 606 N -4.45 4.65 0.05 0.15 4.77 0.03 -4.20 117.00 118.00 1gxk n LEU 606 Ca 0.11 -2.17 -0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1gxk n LEU 606 Cb 0.50 -0.91 0.30 0.00 -2.33 0.00 0.00 43.42 40.98 1gxk n LEU 606 CO 0.34 0.85 0.85 -0.08 -1.33 0.00 0.00 177.39 178.02 1gxk h GLU 607 N 0.69 0.39 -0.27 3.23 4.81 -1.62 -3.24 114.58 118.58 1gxk h GLU 607 Ca 0.03 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1gxk h GLU 607 Cb 1.02 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 1gxk h GLU 607 CO 0.06 0.53 -0.41 0.28 -0.73 0.00 0.00 179.01 178.74 1gxk h VAL 608 N 0.37 0.00 -0.56 0.32 2.07 -1.87 -2.70 116.25 113.86 1gxk h VAL 608 Ca 0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.75 1gxk h VAL 608 Cb 0.47 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 1gxk h VAL 608 CO 0.03 0.00 0.04 0.18 0.02 0.00 0.00 177.57 177.84 1gxk n LEU 609 N -4.69 -0.04 0.20 2.57 4.32 -1.22 0.15 117.00 118.30 1gxk n LEU 609 Ca -0.03 0.96 -0.16 0.00 -0.02 0.00 0.00 56.01 56.75 1gxk n LEU 609 Cb 0.26 -0.36 -0.09 0.00 -1.62 0.00 0.00 43.42 41.61 1gxk n LEU 609 CO 0.01 -0.98 0.56 1.23 -1.22 0.00 0.00 177.39 177.00 1gxk h GLY 610 N 0.00 -1.04 0.70 -0.72 0.00 -1.69 1.66 103.07 101.98 1gxk h GLY 610 Ca 0.36 0.53 0.06 0.00 0.00 0.00 0.00 47.33 48.28 1gxk h GLY 610 CO -0.52 -0.31 0.51 -1.33 0.00 0.00 0.00 176.54 174.88 1gxk h GLY 611 N -0.82 1.25 0.13 4.60 0.00 -0.41 0.19 103.07 108.01 1gxk h GLY 611 Ca -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1gxk h GLY 611 CO -0.15 0.24 -0.06 -2.75 0.00 0.00 0.00 176.54 173.82 1gxk h PHE 612 N 0.92 -0.16 -0.92 5.60 3.57 -0.53 -1.96 116.94 123.46 1gxk h PHE 612 Ca 0.37 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 62.12 1gxk h PHE 612 Cb 0.19 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1gxk h PHE 612 CO -0.04 -0.10 0.65 -0.07 -2.23 0.00 0.00 178.31 176.51 1gxk h LEU 613 N -0.22 0.11 0.00 0.59 3.38 0.25 -3.39 115.31 116.03 1gxk h LEU 613 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gxk h LEU 613 Cb 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1gxk h LEU 613 CO 0.03 0.04 0.00 0.49 0.09 0.00 0.00 178.44 179.09 1gxk n PHE 614 N -4.34 0.00 -1.18 1.13 3.01 0.64 -4.95 117.46 111.77 1gxk n PHE 614 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1gxk n PHE 614 Cb 0.92 0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.40 1gxk n PHE 614 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gxk n GLY 615 N 3.63 0.54 0.00 1.37 0.00 -0.74 -4.08 105.19 105.91 1gxk n GLY 615 Ca 0.00 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.68 1gxk n GLY 615 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gxk n ASN 616 N 0.88 0.00 -4.51 1.61 2.04 -1.26 -4.35 115.26 109.67 1gxk n ASN 616 Ca 0.00 -0.80 -0.48 0.00 -0.44 0.00 0.00 54.58 52.87 1gxk n ASN 616 Cb 0.00 -0.05 -0.03 0.00 -2.53 0.00 0.00 39.78 37.17 1gxk n ASN 616 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1gxk n SER 617 N -1.05 0.24 -4.58 0.53 3.41 -1.26 -4.76 113.62 106.15 1gxk n SER 617 Ca 0.21 1.15 -0.26 0.00 -0.26 0.00 0.00 58.87 59.71 1gxk n SER 617 Cb 0.12 -1.12 -0.10 0.00 -0.26 0.00 0.00 64.21 62.85 1gxk n SER 617 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1gxk s VAL 618 N -0.79 2.29 0.06 -3.33 1.01 0.48 -1.42 120.40 118.70 1gxk s VAL 618 Ca 0.66 -2.12 0.09 0.00 0.00 0.00 0.00 61.98 60.61 1gxk s VAL 618 Cb -0.86 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1gxk s VAL 618 CO 0.57 -0.17 -0.25 -0.69 0.00 0.00 0.00 175.10 174.56 1gxk s VAL 619 N -2.60 2.04 0.17 2.92 1.01 -0.37 -0.48 120.40 123.08 1gxk s VAL 619 Ca 0.33 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 1gxk s VAL 619 Cb 0.03 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1gxk s VAL 619 CO 0.17 0.26 0.17 0.68 0.00 0.00 0.00 175.10 176.39 1gxk s VAL 620 N -0.87 0.06 0.05 2.92 -7.23 0.60 -1.46 120.40 114.47 1gxk s VAL 620 Ca 0.11 -1.74 -0.22 0.00 -1.81 0.00 0.00 61.98 58.32 1gxk s VAL 620 Cb -0.10 -2.11 -0.10 0.00 0.56 0.00 0.00 36.38 34.63 1gxk s VAL 620 CO 0.03 -0.27 1.33 -0.33 -0.31 0.00 0.00 175.10 175.55 1gxk h GLU 621 N 2.66 -0.59 -5.00 4.82 4.39 -1.66 0.56 114.58 119.77 1gxk h GLU 621 Ca -0.34 0.04 -0.50 0.00 0.34 0.00 0.00 59.36 58.91 1gxk h GLU 621 Cb 1.22 0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.87 1gxk h GLU 621 CO 0.53 -0.39 -0.54 0.95 -1.16 0.00 0.00 179.01 178.40 1gxk s THR 622 N -4.71 0.55 0.06 1.13 -4.23 -1.26 -3.24 115.64 103.94 1gxk s THR 622 Ca -0.11 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.09 1gxk s THR 622 Cb 0.03 -2.46 -0.18 0.00 1.34 0.00 0.00 72.50 71.22 1gxk s THR 622 CO 0.36 0.00 1.56 0.25 -0.54 0.00 0.00 174.62 176.25 1gxk h LEU 623 N 1.99 -0.73 -0.93 4.79 6.46 -1.97 -2.56 115.31 122.35 1gxk h LEU 623 Ca -0.35 0.01 0.25 0.00 -0.12 0.00 0.00 57.88 57.67 1gxk h LEU 623 Cb 1.26 0.19 -0.17 0.00 -0.73 0.00 0.00 40.66 41.20 1gxk h LEU 623 CO 0.56 -0.49 -0.01 0.47 -0.62 0.00 0.00 178.44 178.35 1gxk n ASP 624 N -5.44 -0.13 0.24 1.25 8.00 -1.26 0.16 116.55 119.37 1gxk n ASP 624 Ca -0.13 1.59 -0.15 0.00 0.71 0.00 0.00 54.79 56.80 1gxk n ASP 624 Cb 0.36 -0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 1gxk n ASP 624 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1gxk h ASP 625 N 0.00 -0.55 -0.49 -2.24 3.45 -1.85 0.26 116.42 115.00 1gxk h ASP 625 Ca 0.55 0.03 0.10 0.00 0.43 0.00 0.00 57.03 58.14 1gxk h ASP 625 Cb 1.12 0.16 -0.09 0.00 -0.56 0.00 0.00 39.33 39.95 1gxk h ASP 625 CO -0.88 -0.37 -0.12 0.00 -1.57 0.00 0.00 179.24 176.30 1gxk h ALA 626 N -0.00 0.33 0.56 3.45 0.00 0.20 0.48 119.26 124.28 1gxk h ALA 626 Ca -0.05 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1gxk h ALA 626 Cb 0.47 0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1gxk h ALA 626 CO 0.06 -0.44 -0.27 0.82 0.00 0.00 0.00 179.25 179.42 1gxk h ILE 627 N 0.00 0.00 -1.08 0.00 2.04 -0.22 0.11 117.51 118.37 1gxk h ILE 627 Ca 0.24 -0.11 0.39 0.00 1.00 0.00 0.00 64.86 66.37 1gxk h ILE 627 Cb 0.36 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.28 1gxk h ILE 627 CO -0.50 0.00 0.63 -0.09 0.00 0.00 0.00 178.15 178.18 1gxk h ARG 628 N -0.86 0.12 0.23 2.37 1.12 -0.09 0.36 114.38 117.63 1gxk h ARG 628 Ca -0.08 -0.01 -0.33 0.00 -1.11 0.00 0.00 59.98 58.46 1gxk h ARG 628 Cb 0.58 -0.03 0.03 0.00 -0.01 0.00 0.00 29.97 30.54 1gxk h ARG 628 CO 0.13 0.08 -1.44 1.98 -3.11 0.00 0.00 179.97 177.60 1gxk h MET 629 N 0.13 0.49 -0.43 0.20 4.05 0.10 -2.89 114.93 116.57 1gxk h MET 629 Ca 0.81 -0.83 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1gxk h MET 629 Cb 2.14 0.31 -0.02 0.00 -0.80 0.00 0.00 31.60 33.23 1gxk h MET 629 CO -0.63 1.40 0.14 -0.22 0.23 0.00 0.00 176.91 177.82 1gxk h LYS 630 N 0.13 0.62 -0.78 0.39 3.64 0.24 -1.54 116.57 119.27 1gxk h LYS 630 Ca -0.24 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1gxk h LYS 630 Cb 2.13 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.81 1gxk h LYS 630 CO 0.26 0.54 0.29 0.87 -2.27 0.00 0.00 179.45 179.14 1gxk h LYS 631 N 0.61 1.18 0.00 1.90 1.57 -1.00 -1.62 116.57 119.21 1gxk h LYS 631 Ca 0.15 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1gxk h LYS 631 Cb 0.18 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1gxk h LYS 631 CO -0.01 0.97 0.00 1.17 -0.57 0.00 0.00 179.45 181.01 1gxk n LYS 632 N -4.28 0.00 0.00 3.15 4.81 -0.61 -3.72 118.16 117.52 1gxk n LYS 632 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1gxk n LYS 632 Cb 0.20 -0.59 0.00 0.00 0.02 0.00 0.00 35.03 34.66 1gxk n LYS 632 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1gxk n TYR 633 N -0.21 0.00 -3.74 5.64 4.02 -1.02 -4.78 117.16 117.06 1gxk n TYR 633 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 1gxk n TYR 633 Cb 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.28 1gxk n TYR 633 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1gxk n ARG 634 N 0.04 -0.74 -1.69 -0.72 1.85 -0.63 -4.66 116.66 110.11 1gxk n ARG 634 Ca 0.00 -0.13 -0.44 0.00 -1.00 0.00 0.00 57.85 56.29 1gxk n ARG 634 Cb 0.06 -1.20 -0.04 0.00 -1.05 0.00 0.00 32.46 30.23 1gxk n ARG 634 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1gxk n LEU 635 N -3.02 3.66 -1.39 2.89 4.77 -1.10 -4.81 117.00 118.00 1gxk n LEU 635 Ca -0.10 1.05 0.11 0.00 -0.03 0.00 0.00 56.01 57.04 1gxk n LEU 635 Cb 0.32 -1.51 0.33 0.00 -2.33 0.00 0.00 43.42 40.23 1gxk n LEU 635 CO 0.41 0.00 0.78 -0.46 -1.33 0.00 0.00 177.39 176.79 1gxk n ASN 636 N 4.21 4.05 -4.96 -1.43 0.23 -1.26 -4.75 115.26 111.35 1gxk n ASN 636 Ca 0.17 -2.11 -0.20 0.00 -0.53 0.00 0.00 54.58 51.91 1gxk n ASN 636 Cb 0.33 -0.50 -0.01 0.00 -2.08 0.00 0.00 39.78 37.51 1gxk n ASN 636 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1gxk s THR 637 N -1.25 4.20 0.34 5.53 -1.32 -1.26 -4.37 115.64 117.51 1gxk s THR 637 Ca 0.49 -1.08 -0.14 0.00 -1.21 0.00 0.00 61.69 59.74 1gxk s THR 637 Cb 0.27 -3.45 -0.09 0.00 -1.51 0.00 0.00 72.50 67.73 1gxk s THR 637 CO 0.30 -0.20 0.74 -0.13 -2.21 0.00 0.00 174.62 173.13 1gxk s ARG 638 N -4.10 3.97 -0.08 7.08 0.52 -1.26 -3.84 118.95 121.25 1gxk s ARG 638 Ca 0.42 0.65 -0.03 0.00 -0.52 0.00 0.00 55.73 56.25 1gxk s ARG 638 Cb -0.09 -2.42 0.05 0.00 0.52 0.00 0.00 34.95 33.01 1gxk s ARG 638 CO 0.30 0.13 0.13 0.42 0.02 0.00 0.00 175.30 176.29 1gxk s ILE 639 N -2.04 -0.20 0.15 1.52 1.01 -1.13 -0.38 121.20 120.13 1gxk s ILE 639 Ca 0.54 0.31 0.09 0.00 0.00 0.00 0.00 60.65 61.59 1gxk s ILE 639 Cb -0.10 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1gxk s ILE 639 CO 0.19 0.11 -0.12 0.00 0.00 0.00 0.00 174.94 175.11 1gxk s ALA 640 N 2.24 2.87 0.13 9.38 0.00 0.36 -1.87 121.76 134.87 1gxk s ALA 640 Ca 0.04 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.63 1gxk s ALA 640 Cb -0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1gxk s ALA 640 CO -0.05 0.53 0.16 0.95 0.00 0.00 0.00 175.76 177.34 1gxk s THR 641 N -1.47 4.76 0.56 0.00 -4.23 -0.96 -0.29 115.64 114.00 1gxk s THR 641 Ca 0.22 -0.84 0.26 0.00 -1.18 0.00 0.00 61.69 60.15 1gxk s THR 641 Cb -0.10 -3.39 0.38 0.00 1.34 0.00 0.00 72.50 70.74 1gxk s THR 641 CO 0.13 -0.01 2.02 -0.07 -0.54 0.00 0.00 174.62 176.15 1gxk h LEU 642 N 2.67 0.00 -1.60 4.79 3.38 0.17 0.50 115.31 125.22 1gxk h LEU 642 Ca -0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1gxk h LEU 642 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1gxk h LEU 642 CO 0.66 0.00 -0.18 0.44 0.09 0.00 0.00 178.44 179.45 1gxk h ASP 643 N 0.00 0.00 0.00 -0.43 3.45 -1.81 -3.41 116.42 114.22 1gxk h ASP 643 Ca 0.18 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.64 1gxk h ASP 643 Cb 0.83 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 1gxk h ASP 643 CO -0.00 0.18 0.00 0.61 -1.57 0.00 0.00 179.24 178.46 1gxk n GLY 644 N -0.41 1.29 3.64 2.75 0.00 0.18 -4.98 105.19 107.66 1gxk n GLY 644 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1gxk n GLY 644 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gxk s GLU 645 N -0.13 -0.40 -0.08 1.61 8.01 -1.25 -4.76 118.70 121.69 1gxk s GLU 645 Ca 0.00 0.20 -0.28 0.00 0.01 0.00 0.00 54.97 54.90 1gxk s GLU 645 Cb 0.00 -1.67 0.06 0.00 -4.31 0.00 0.00 34.13 28.22 1gxk s GLU 645 CO 0.00 -3.22 0.64 -1.17 0.01 0.00 0.00 175.26 171.52 1gxk s LEU 646 N -6.69 -0.48 -0.26 1.80 2.96 -0.32 -2.26 118.68 113.44 1gxk s LEU 646 Ca 0.68 0.77 -0.00 0.00 -0.22 0.00 0.00 54.13 55.36 1gxk s LEU 646 Cb -0.14 2.36 0.08 0.00 0.50 0.00 0.00 46.19 48.98 1gxk s LEU 646 CO 0.57 -0.52 0.02 -0.63 -1.32 0.00 0.00 176.35 174.46 1gxk s ILE 647 N -0.92 1.20 1.05 6.68 1.01 -0.78 -0.60 121.20 128.85 1gxk s ILE 647 Ca -0.09 -1.25 -0.16 0.00 0.00 0.00 0.00 60.65 59.15 1gxk s ILE 647 Cb -0.01 -1.69 0.08 0.00 0.01 0.00 0.00 42.46 40.84 1gxk s ILE 647 CO 0.08 -0.34 0.16 -1.54 0.00 0.00 0.00 174.94 173.29 1gxk n SER 648 N 4.76 -2.29 0.30 3.58 3.41 0.47 -2.82 113.62 121.03 1gxk n SER 648 Ca -0.07 0.05 0.17 0.00 -0.26 0.00 0.00 58.87 58.76 1gxk n SER 648 Cb 0.44 -1.05 0.94 0.00 -0.26 0.00 0.00 64.21 64.27 1gxk n SER 648 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1gxk h GLY 649 N -1.87 0.00 -0.37 5.00 0.00 -1.76 -1.19 103.07 102.88 1gxk h GLY 649 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1gxk h GLY 649 CO 0.37 0.00 -0.17 0.54 0.00 0.00 0.00 176.54 177.28 1gxk n ARG 650 N -3.55 1.31 0.00 4.80 1.74 -1.26 -4.23 116.66 115.48 1gxk n ARG 650 Ca -0.02 -0.86 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 1gxk n ARG 650 Cb 0.13 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1gxk n ARG 650 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gxk n GLY 651 N 1.29 1.16 3.69 -0.13 0.00 -0.45 -5.08 105.19 105.67 1gxk n GLY 651 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1gxk n GLY 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxk s ALA 652 N -2.00 3.38 -0.16 4.61 0.00 -1.26 -4.73 121.76 121.60 1gxk s ALA 652 Ca 0.00 0.39 -0.10 0.00 0.00 0.00 0.00 51.96 52.26 1gxk s ALA 652 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1gxk s ALA 652 CO 0.00 -0.57 0.17 0.42 0.00 0.00 0.00 175.76 175.78 1gxk s ILE 653 N 1.91 5.41 -0.00 0.00 1.01 -1.25 -0.40 121.20 127.88 1gxk s ILE 653 Ca 0.49 0.27 0.03 0.00 0.00 0.00 0.00 60.65 61.44 1gxk s ILE 653 Cb -0.19 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1gxk s ILE 653 CO 0.19 0.50 -0.10 -0.89 0.00 0.00 0.00 174.94 174.65 1gxk s THR 654 N -0.17 0.75 -0.17 2.92 2.01 0.23 -4.97 115.64 116.24 1gxk s THR 654 Ca 0.12 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 1gxk s THR 654 Cb -0.12 -0.64 0.14 0.00 0.01 0.00 0.00 72.50 71.89 1gxk s THR 654 CO 0.01 0.17 1.08 -0.83 -0.69 0.00 0.00 174.62 174.36 1gxk s GLY 655 N -0.34 -0.22 0.00 4.40 0.00 -1.26 -1.17 107.32 108.73 1gxk s GLY 655 Ca 0.03 2.05 0.31 0.00 0.00 0.00 0.00 44.72 47.12 1gxk s GLY 655 CO -0.00 0.94 2.15 0.61 0.00 0.00 0.00 173.10 176.79