#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxq s PRO 503 N 0.00 4.64 0.06 0.52 0.02 -1.26 -4.99 135.00 133.99 3hxq s PRO 503 Ca 0.00 1.61 -0.31 0.00 0.02 0.00 0.00 61.00 62.32 3hxq s PRO 503 Cb 0.00 -3.32 -0.07 0.00 0.02 0.00 0.00 34.50 31.13 3hxq s PRO 503 CO 0.00 0.13 1.51 -0.51 -0.33 0.00 0.00 177.00 177.80 3hxq s LEU 504 N -0.19 4.35 -0.23 -5.54 1.02 -1.26 -4.92 118.68 111.91 3hxq s LEU 504 Ca 0.48 2.35 -0.14 0.00 0.02 0.00 0.00 54.13 56.84 3hxq s LEU 504 Cb -0.27 -3.57 -0.09 0.00 0.02 0.00 0.00 46.19 42.28 3hxq s LEU 504 CO 0.33 -0.78 -0.33 0.00 0.02 0.00 0.00 176.35 175.58 3hxq n HIS 505 N 5.06 0.00 -3.91 0.29 1.44 -1.26 -4.84 115.22 112.00 3hxq n HIS 505 Ca 0.14 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.57 3hxq n HIS 505 Cb 0.42 -0.79 -0.12 0.00 0.12 0.00 0.00 29.99 29.61 3hxq n HIS 505 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3hxq s ASP 506 N -6.90 4.77 -0.13 4.39 1.01 -1.26 -5.07 116.67 113.49 3hxq s ASP 506 Ca -0.34 -3.76 -0.01 0.00 0.71 0.00 0.00 52.55 49.16 3hxq s ASP 506 Cb 0.11 -1.64 -0.02 0.00 1.01 0.00 0.00 42.92 42.38 3hxq s ASP 506 CO 0.44 -0.10 -0.10 0.12 0.21 0.00 0.00 175.17 175.74 3hxq s PHE 507 N -1.32 2.88 -0.42 4.23 5.36 -1.26 -5.05 117.98 122.40 3hxq s PHE 507 Ca 0.24 -0.46 0.06 0.00 -0.96 0.00 0.00 56.93 55.81 3hxq s PHE 507 Cb -0.07 -1.86 0.17 0.00 -0.34 0.00 0.00 43.02 40.93 3hxq s PHE 507 CO -0.15 -0.10 0.55 -0.47 -1.46 0.00 0.00 175.22 173.60 3hxq s TYR 508 N 0.21 -1.08 -0.48 10.12 5.04 -1.26 -4.84 117.35 125.06 3hxq s TYR 508 Ca -0.06 -0.40 -0.29 0.00 -2.44 0.00 0.00 57.07 53.89 3hxq s TYR 508 Cb -0.15 0.01 -0.09 0.00 0.35 0.00 0.00 41.96 42.08 3hxq s TYR 508 CO 0.04 -1.11 2.38 0.00 -1.34 0.00 0.00 175.55 175.52 3hxq n SER 510 N 13.38 4.47 -3.50 0.00 2.88 -1.26 -1.97 113.62 127.63 3hxq n SER 510 Ca 0.40 -3.23 -0.22 0.00 -1.33 0.00 0.00 58.87 54.49 3hxq n SER 510 Cb 0.41 -1.02 -0.08 0.00 -0.75 0.00 0.00 64.21 62.77 3hxq n SER 510 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hxq n ARG 511 N 1.91 0.47 -3.06 -1.46 1.74 -1.26 -4.62 116.66 110.38 3hxq n ARG 511 Ca 0.24 -3.43 -0.44 0.00 -0.77 0.00 0.00 57.85 53.45 3hxq n ARG 511 Cb 0.37 2.46 -0.05 0.00 -1.02 0.00 0.00 32.46 34.22 3hxq n ARG 511 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hxq s LEU 512 N 0.00 5.05 -0.06 0.55 1.43 -0.43 -3.49 118.68 121.72 3hxq s LEU 512 Ca 0.33 -1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.22 3hxq s LEU 512 Cb 0.02 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.89 3hxq s LEU 512 CO 0.24 -1.13 0.14 -0.22 0.23 0.00 0.00 176.35 175.61 3hxq s LEU 513 N 2.98 0.84 -0.42 1.79 2.96 -0.44 -2.16 118.68 124.24 3hxq s LEU 513 Ca 0.15 0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 54.21 3hxq s LEU 513 Cb -0.21 0.38 0.03 0.00 0.50 0.00 0.00 46.19 46.89 3hxq s LEU 513 CO 0.09 -0.13 0.32 -1.81 -1.32 0.00 0.00 176.35 173.50 3hxq s ASP 514 N 1.00 6.11 -0.18 3.68 1.01 0.18 -0.34 116.67 128.14 3hxq s ASP 514 Ca -0.08 -1.01 -0.03 0.00 0.71 0.00 0.00 52.55 52.15 3hxq s ASP 514 Cb -0.10 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 3hxq s ASP 514 CO -0.05 -0.50 -0.07 -0.22 0.21 0.00 0.00 175.17 174.55 3hxq s LEU 515 N 1.67 2.92 -0.16 1.23 2.96 0.11 -0.50 118.68 126.91 3hxq s LEU 515 Ca 0.05 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3hxq s LEU 515 Cb -0.20 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 3hxq s LEU 515 CO 0.09 0.07 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.39 3hxq s VAL 516 N 0.91 3.03 -0.24 1.68 1.01 0.59 -0.33 120.40 127.05 3hxq s VAL 516 Ca -0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 3hxq s VAL 516 Cb -0.15 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 3hxq s VAL 516 CO 0.01 0.49 0.15 -0.36 0.00 0.00 0.00 175.10 175.39 3hxq s PHE 517 N 0.82 3.30 -0.20 5.22 0.08 0.93 -0.26 117.98 127.86 3hxq s PHE 517 Ca -0.04 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.21 3hxq s PHE 517 Cb -0.15 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.07 3hxq s PHE 517 CO 0.01 0.05 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.50 3hxq s LEU 518 N 1.06 2.46 -0.32 -0.37 1.43 -0.58 -0.52 118.68 121.84 3hxq s LEU 518 Ca 0.07 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.27 3hxq s LEU 518 Cb -0.14 -1.45 0.05 0.00 0.03 0.00 0.00 46.19 44.68 3hxq s LEU 518 CO 0.04 -0.07 0.06 -0.76 0.23 0.00 0.00 176.35 175.86 3hxq s LEU 519 N 1.26 4.17 -0.23 1.79 1.02 0.57 -0.94 118.68 126.31 3hxq s LEU 519 Ca 0.01 -1.21 -0.39 0.00 0.02 0.00 0.00 54.13 52.55 3hxq s LEU 519 Cb -0.15 -1.80 -0.15 0.00 0.02 0.00 0.00 46.19 44.11 3hxq s LEU 519 CO -0.10 -0.30 1.75 -0.67 0.02 0.00 0.00 176.35 177.05 3hxq n ASP 520 N 4.73 2.54 -1.14 2.29 -0.08 -0.54 -1.51 116.55 122.85 3hxq n ASP 520 Ca -0.13 1.06 0.10 0.00 -1.51 0.00 0.00 54.79 54.31 3hxq n ASP 520 Cb 0.44 -1.18 0.27 0.00 2.34 0.00 0.00 41.12 42.99 3hxq n ASP 520 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3hxq n GLY 521 N 4.18 2.59 3.69 0.27 0.00 -0.86 -4.88 105.19 110.17 3hxq n GLY 521 Ca 0.26 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3hxq n GLY 521 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxq s SER 522 N -1.00 3.06 0.00 1.61 1.04 -1.26 -1.07 113.70 116.07 3hxq s SER 522 Ca 0.41 1.46 0.23 0.00 0.48 0.00 0.00 55.95 58.54 3hxq s SER 522 Cb 0.21 -2.13 1.39 0.00 0.10 0.00 0.00 66.02 65.59 3hxq s SER 522 CO 0.28 -2.90 1.86 -1.54 0.98 0.00 0.00 173.24 171.92 3hxq n SER 523 N -4.05 0.00 0.31 7.02 3.41 0.17 -3.24 113.62 117.24 3hxq n SER 523 Ca 0.06 -1.15 0.19 0.00 -0.26 0.00 0.00 58.87 57.72 3hxq n SER 523 Cb 0.55 0.00 1.05 0.00 -0.26 0.00 0.00 64.21 65.55 3hxq n SER 523 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3hxq h ARG 524 N 0.00 0.00 -6.54 4.33 2.47 -1.89 -3.40 114.38 109.35 3hxq h ARG 524 Ca 0.00 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.07 3hxq h ARG 524 Cb 0.00 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.16 3hxq h ARG 524 CO 0.00 0.00 -0.74 -0.51 0.56 0.00 0.00 179.97 179.28 3hxq s LEU 525 N -6.72 2.96 0.00 3.04 1.43 -1.20 -5.07 118.68 113.12 3hxq s LEU 525 Ca -0.05 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3hxq s LEU 525 Cb 0.13 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.71 3hxq s LEU 525 CO 0.45 0.15 0.47 -1.20 0.23 0.00 0.00 176.35 176.45 3hxq n SER 526 N 0.47 0.14 0.10 2.29 7.64 -1.26 -4.82 113.62 118.17 3hxq n SER 526 Ca -0.13 -1.24 -0.13 0.00 1.01 0.00 0.00 58.87 58.38 3hxq n SER 526 Cb 0.53 -0.35 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 3hxq n SER 526 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3hxq h GLU 527 N 0.00 -0.22 -0.21 1.43 4.57 -1.98 -1.90 114.58 116.27 3hxq h GLU 527 Ca -0.15 0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 57.84 3hxq h GLU 527 Cb 0.45 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3hxq h GLU 527 CO 0.12 0.05 -0.65 0.00 -1.18 0.00 0.00 179.01 177.35 3hxq h ALA 528 N 0.29 0.45 -0.26 2.92 0.00 -1.97 0.10 119.26 120.78 3hxq h ALA 528 Ca -0.02 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.35 3hxq h ALA 528 Cb 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hxq h ALA 528 CO 0.04 0.69 0.18 0.93 0.00 0.00 0.00 179.25 181.09 3hxq h GLU 529 N 0.56 0.30 0.01 0.00 5.08 -1.93 0.50 114.58 119.10 3hxq h GLU 529 Ca -0.02 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 3hxq h GLU 529 Cb 1.26 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3hxq h GLU 529 CO 0.13 0.20 -0.89 0.35 -1.00 0.00 0.00 179.01 177.80 3hxq h PHE 530 N 0.31 0.10 -0.44 4.33 3.57 -1.05 -2.81 116.94 120.95 3hxq h PHE 530 Ca 0.10 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 3hxq h PHE 530 Cb 0.04 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3hxq h PHE 530 CO -0.00 0.92 -0.14 1.49 -2.23 0.00 0.00 178.31 178.35 3hxq h GLU 531 N 0.03 0.81 -0.49 1.11 4.57 0.13 -2.37 114.58 118.37 3hxq h GLU 531 Ca -0.02 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 57.78 3hxq h GLU 531 Cb 1.56 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.07 3hxq h GLU 531 CO 0.12 0.91 -0.02 0.28 -1.18 0.00 0.00 179.01 179.12 3hxq h VAL 532 N 0.72 1.25 -0.79 0.32 2.07 -0.15 -1.02 116.25 118.65 3hxq h VAL 532 Ca 0.11 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.60 3hxq h VAL 532 Cb 0.65 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3hxq h VAL 532 CO 0.05 0.38 0.51 0.25 0.02 0.00 0.00 177.57 178.77 3hxq h LEU 533 N 0.78 0.84 -0.59 2.57 5.85 -1.19 0.41 115.31 123.97 3hxq h LEU 533 Ca 0.15 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 3hxq h LEU 533 Cb 0.50 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3hxq h LEU 533 CO 0.02 0.59 -0.46 0.11 -0.34 0.00 0.00 178.44 178.37 3hxq h LYS 534 N 0.99 0.59 -0.56 1.25 1.57 -1.20 -2.05 116.57 117.16 3hxq h LYS 534 Ca 0.31 -0.33 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3hxq h LYS 534 Cb -0.01 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 3hxq h LYS 534 CO -0.10 0.93 0.24 0.00 -0.57 0.00 0.00 179.45 179.95 3hxq h ALA 535 N 1.02 0.72 -0.85 3.86 0.00 -0.32 -0.29 119.26 123.39 3hxq h ALA 535 Ca 0.03 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hxq h ALA 535 Cb 0.98 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3hxq h ALA 535 CO 0.09 -0.14 0.55 0.35 0.00 0.00 0.00 179.25 180.11 3hxq h PHE 536 N 0.46 1.09 0.73 0.00 3.57 -0.66 -1.48 116.94 120.65 3hxq h PHE 536 Ca 0.26 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 3hxq h PHE 536 Cb 0.25 -0.37 0.01 0.00 2.79 0.00 0.00 35.95 38.63 3hxq h PHE 536 CO -0.13 0.70 -0.35 0.28 -2.23 0.00 0.00 178.31 176.57 3hxq h VAL 537 N 1.16 0.00 -0.73 1.41 2.07 -0.58 -2.65 116.25 116.93 3hxq h VAL 537 Ca 0.31 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.69 3hxq h VAL 537 Cb -0.11 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.61 3hxq h VAL 537 CO -0.07 0.00 0.45 -0.37 0.02 0.00 0.00 177.57 177.61 3hxq h VAL 538 N -1.16 1.09 -0.52 2.57 -1.51 -1.11 -0.09 116.25 115.51 3hxq h VAL 538 Ca -0.10 -0.30 0.14 0.00 -1.23 0.00 0.00 66.70 65.20 3hxq h VAL 538 Cb 0.76 0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 3hxq h VAL 538 CO 0.17 0.16 0.37 -0.78 -1.23 0.00 0.00 177.57 176.25 3hxq h ASP 539 N 0.88 0.07 1.08 4.19 3.58 -1.30 0.13 116.42 125.06 3hxq h ASP 539 Ca 0.30 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.65 3hxq h ASP 539 Cb 0.04 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3hxq h ASP 539 CO -0.12 0.04 -0.97 -0.03 -2.88 0.00 0.00 179.24 175.28 3hxq h MET 540 N 0.07 0.00 -0.37 0.28 4.05 -0.70 -3.35 114.93 114.92 3hxq h MET 540 Ca 0.25 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.58 3hxq h MET 540 Cb 0.88 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 3hxq h MET 540 CO -0.02 0.26 -0.12 0.52 0.23 0.00 0.00 176.91 177.78 3hxq h MET 541 N 0.00 0.73 0.00 0.39 2.86 0.69 -2.46 114.93 117.14 3hxq h MET 541 Ca -0.07 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3hxq h MET 541 Cb 1.36 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.99 3hxq h MET 541 CO 0.04 0.89 0.00 -0.85 1.06 0.00 0.00 176.91 178.05 3hxq n GLU 542 N -4.35 0.51 -0.45 1.72 0.28 -0.94 -1.61 120.64 115.79 3hxq n GLU 542 Ca -0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.06 3hxq n GLU 542 Cb 0.37 -1.29 0.27 0.00 1.43 0.00 0.00 31.44 32.22 3hxq n GLU 542 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hxq n ARG 543 N -0.79 3.28 -4.42 3.44 1.74 -0.93 -4.99 116.66 114.00 3hxq n ARG 543 Ca 0.07 -2.67 -0.20 0.00 -0.77 0.00 0.00 57.85 54.28 3hxq n ARG 543 Cb 0.03 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 29.58 3hxq n ARG 543 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hxq s LEU 544 N -2.09 1.92 -1.06 0.55 1.43 -0.63 -1.77 118.68 117.03 3hxq s LEU 544 Ca 0.40 -0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 53.09 3hxq s LEU 544 Cb 0.29 -0.54 0.05 0.00 0.03 0.00 0.00 46.19 46.02 3hxq s LEU 544 CO 0.15 0.10 1.51 -0.60 0.23 0.00 0.00 176.35 177.74 3hxq s ARG 545 N -0.05 3.61 -0.11 1.70 3.52 -0.83 -4.93 118.95 121.86 3hxq s ARG 545 Ca 0.01 -1.22 -0.30 0.00 -0.13 0.00 0.00 55.73 54.09 3hxq s ARG 545 Cb -0.06 -5.38 -0.02 0.00 -1.56 0.00 0.00 34.95 27.93 3hxq s ARG 545 CO -0.00 -2.26 1.19 0.42 -0.81 0.00 0.00 175.30 173.84 3hxq s ILE 546 N 5.05 4.34 -0.26 4.11 1.01 -1.25 -1.39 121.20 132.82 3hxq s ILE 546 Ca 0.48 1.65 -0.27 0.00 0.00 0.00 0.00 60.65 62.50 3hxq s ILE 546 Cb 0.00 -4.06 0.16 0.00 0.01 0.00 0.00 42.46 38.57 3hxq s ILE 546 CO -0.07 -0.06 1.21 -0.55 0.00 0.00 0.00 174.94 175.47 3hxq s SER 547 N 1.58 -0.23 0.00 3.58 0.15 -1.00 -4.84 113.70 112.94 3hxq s SER 547 Ca 0.54 0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.56 3hxq s SER 547 Cb -0.22 0.32 0.11 0.00 -1.71 0.00 0.00 66.02 64.52 3hxq s SER 547 CO 0.18 -0.14 1.05 0.00 1.20 0.00 0.00 173.24 175.54 3hxq n GLN 548 N 1.27 0.01 -0.16 5.44 1.13 -1.26 -0.63 117.38 123.17 3hxq n GLN 548 Ca -0.08 0.43 0.06 0.00 -1.94 0.00 0.00 57.00 55.46 3hxq n GLN 548 Cb 0.57 -1.50 0.14 0.00 0.11 0.00 0.00 30.24 29.56 3hxq n GLN 548 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3hxq n LYS 549 N -1.47 2.45 0.00 -1.09 4.76 -1.26 -4.98 118.16 116.57 3hxq n LYS 549 Ca 0.01 -2.26 0.00 0.00 -2.87 0.00 0.00 58.31 53.19 3hxq n LYS 549 Cb 0.03 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 3hxq n LYS 549 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 3hxq n TRP 550 N -0.58 0.00 -3.50 2.13 7.02 0.20 -4.92 117.44 117.80 3hxq n TRP 550 Ca 0.12 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.18 3hxq n TRP 550 Cb 0.56 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.36 3hxq n TRP 550 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3hxq s VAL 551 N 1.17 4.63 0.07 -0.99 1.01 -0.49 -1.33 120.40 124.47 3hxq s VAL 551 Ca 0.00 -1.38 -0.07 0.00 0.00 0.00 0.00 61.98 60.53 3hxq s VAL 551 Cb 0.00 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3hxq s VAL 551 CO 0.00 -0.62 0.33 -0.13 0.00 0.00 0.00 175.10 174.69 3hxq s ARG 552 N 1.50 3.64 0.01 2.72 0.52 0.54 -2.37 118.95 125.50 3hxq s ARG 552 Ca 0.04 -0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.25 3hxq s ARG 552 Cb -0.25 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 3hxq s ARG 552 CO 0.03 0.57 -0.08 0.14 0.02 0.00 0.00 175.30 175.98 3hxq s VAL 553 N -1.43 0.64 0.10 3.52 -7.23 -1.26 0.05 120.40 114.79 3hxq s VAL 553 Ca 0.33 -0.55 0.07 0.00 -1.81 0.00 0.00 61.98 60.02 3hxq s VAL 553 Cb -0.13 -0.58 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 3hxq s VAL 553 CO 0.20 0.04 -0.19 0.00 -0.31 0.00 0.00 175.10 174.83 3hxq s ALA 554 N -0.50 1.65 -0.08 1.32 0.00 0.54 -3.82 121.76 120.88 3hxq s ALA 554 Ca 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 3hxq s ALA 554 Cb -0.05 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.89 3hxq s ALA 554 CO 0.00 0.31 -0.04 0.08 0.00 0.00 0.00 175.76 176.11 3hxq s VAL 555 N -1.21 0.66 -0.04 0.00 1.01 -0.16 -0.05 120.40 120.61 3hxq s VAL 555 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3hxq s VAL 555 Cb -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3hxq s VAL 555 CO 0.04 0.30 -0.01 -0.69 0.00 0.00 0.00 175.10 174.74 3hxq s VAL 556 N 1.67 0.32 -0.16 2.92 1.01 0.32 -1.24 120.40 125.24 3hxq s VAL 556 Ca 0.02 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 3hxq s VAL 556 Cb -0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3hxq s VAL 556 CO -0.05 0.20 0.33 -0.70 0.00 0.00 0.00 175.10 174.87 3hxq s GLU 557 N 1.29 4.25 -0.22 2.72 -6.30 -0.60 -0.32 118.70 119.53 3hxq s GLU 557 Ca -0.06 0.14 0.02 0.00 -2.50 0.00 0.00 54.97 52.57 3hxq s GLU 557 Cb -0.13 -3.45 0.04 0.00 0.00 0.00 0.00 34.13 30.59 3hxq s GLU 557 CO -0.02 0.18 -0.16 1.52 0.02 0.00 0.00 175.26 176.80 3hxq s TYR 558 N 0.62 3.00 0.00 5.30 1.13 -0.57 -0.98 117.35 125.86 3hxq s TYR 558 Ca 0.18 -1.96 0.00 0.00 -1.41 0.00 0.00 57.07 53.88 3hxq s TYR 558 Cb -0.13 -1.92 0.00 0.00 -1.10 0.00 0.00 41.96 38.80 3hxq s TYR 558 CO 0.05 -0.84 0.00 -2.39 -2.51 0.00 0.00 175.55 169.86 3hxq n HIS 559 N 4.53 0.00 -1.92 -3.49 1.44 -1.26 -2.03 115.22 112.49 3hxq n HIS 559 Ca -0.18 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.18 3hxq n HIS 559 Cb 0.46 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.53 3hxq n HIS 559 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 3hxq n ASP 560 N 0.00 3.34 0.00 4.39 2.03 -0.66 -2.78 116.55 122.87 3hxq n ASP 560 Ca 0.00 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.57 3hxq n ASP 560 Cb 0.00 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 38.81 3hxq n ASP 560 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hxq n GLY 561 N 5.30 3.15 3.15 0.27 0.00 -1.26 -5.05 105.19 110.75 3hxq n GLY 561 Ca 0.47 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 3hxq n GLY 561 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxq s SER 562 N 0.00 2.14 -0.25 1.61 1.04 -1.26 -4.56 113.70 112.41 3hxq s SER 562 Ca 0.00 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.04 3hxq s SER 562 Cb 0.00 -0.47 -0.00 0.00 0.10 0.00 0.00 66.02 65.65 3hxq s SER 562 CO 0.00 0.18 0.01 -2.28 0.98 0.00 0.00 173.24 172.13 3hxq s HIS 563 N -0.13 3.05 -0.56 5.02 2.46 -0.15 -4.99 115.29 120.00 3hxq s HIS 563 Ca 0.00 -0.96 -0.20 0.00 0.47 0.00 0.00 55.06 54.37 3hxq s HIS 563 Cb -0.10 -2.17 0.07 0.00 -0.13 0.00 0.00 32.58 30.26 3hxq s HIS 563 CO 0.01 -0.55 0.74 0.00 -2.47 0.00 0.00 174.74 172.46 3hxq s ALA 564 N 1.48 3.33 0.10 1.58 0.00 -1.26 -1.56 121.76 125.44 3hxq s ALA 564 Ca 0.04 -1.87 -0.15 0.00 0.00 0.00 0.00 51.96 49.98 3hxq s ALA 564 Cb -0.16 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.35 3hxq s ALA 564 CO -0.01 -2.28 1.42 1.88 0.00 0.00 0.00 175.76 176.78 3hxq h TYR 565 N 9.18 0.85 -3.40 0.00 -1.99 -1.56 -3.44 116.97 116.60 3hxq h TYR 565 Ca -0.28 -0.25 -0.51 0.00 2.00 0.00 0.00 58.73 59.69 3hxq h TYR 565 Cb 1.09 -0.18 -0.34 0.00 2.00 0.00 0.00 36.73 39.30 3hxq h TYR 565 CO 0.83 1.00 -0.81 0.42 -0.00 0.00 0.00 178.16 179.60 3hxq s ILE 566 N -4.37 1.09 0.20 -2.88 1.01 -0.97 -4.96 121.20 110.31 3hxq s ILE 566 Ca -0.12 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 3hxq s ILE 566 Cb 0.09 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 3hxq s ILE 566 CO 0.83 0.35 0.38 -0.83 0.00 0.00 0.00 174.94 175.67 3hxq s GLY 567 N 0.75 1.77 0.39 6.18 0.00 -1.26 -0.99 107.32 114.17 3hxq s GLY 567 Ca -0.13 -0.86 0.10 0.00 0.00 0.00 0.00 44.72 43.83 3hxq s GLY 567 CO 0.03 -0.82 1.95 1.41 0.00 0.00 0.00 173.10 175.66 3hxq h LEU 568 N 1.99 0.53 -2.01 0.66 3.38 -1.96 -1.83 115.31 116.06 3hxq h LEU 568 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3hxq h LEU 568 Cb 1.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hxq h LEU 568 CO 0.68 0.31 0.00 0.29 0.09 0.00 0.00 178.44 179.81 3hxq n LYS 569 N -4.49 2.30 -0.46 1.13 5.02 -1.26 -4.49 118.16 115.91 3hxq n LYS 569 Ca 0.12 -1.98 0.37 0.00 -2.02 0.00 0.00 58.31 54.81 3hxq n LYS 569 Cb 0.36 -1.47 0.67 0.00 -0.02 0.00 0.00 35.03 34.56 3hxq n LYS 569 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3hxq h ASP 570 N 3.65 0.21 -6.49 4.39 5.19 -1.69 -3.44 116.42 118.25 3hxq h ASP 570 Ca 0.00 0.10 -0.51 0.00 -0.62 0.00 0.00 57.03 56.01 3hxq h ASP 570 Cb 0.81 0.09 -0.10 0.00 0.18 0.00 0.00 39.33 40.31 3hxq h ASP 570 CO 0.00 -0.12 -0.80 -1.14 -3.12 0.00 0.00 179.24 174.06 3hxq n ARG 571 N -4.55 -4.42 0.00 3.56 0.63 -1.26 -4.97 116.66 105.65 3hxq n ARG 571 Ca 0.36 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 3hxq n ARG 571 Cb 1.43 -5.26 0.00 0.00 0.45 0.00 0.00 32.46 29.08 3hxq n ARG 571 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3hxq n LYS 572 N -4.53 2.83 -4.21 -0.14 5.02 -1.26 -5.09 118.16 110.77 3hxq n LYS 572 Ca 0.02 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 3hxq n LYS 572 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.44 3hxq n LYS 572 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3hxq s ARG 573 N 2.06 3.49 0.30 1.97 1.70 -1.26 -5.01 118.95 122.20 3hxq s ARG 573 Ca 0.00 -0.38 0.05 0.00 -0.47 0.00 0.00 55.73 54.93 3hxq s ARG 573 Cb 0.00 -2.99 0.75 0.00 -0.57 0.00 0.00 34.95 32.14 3hxq s ARG 573 CO 0.00 0.48 1.73 -1.35 -1.08 0.00 0.00 175.30 175.07 3hxq h PRO 574 N 5.96 0.52 0.00 3.89 0.11 -1.98 0.22 132.00 140.71 3hxq h PRO 574 Ca -0.43 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hxq h PRO 574 Cb 1.19 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hxq h PRO 574 CO 0.62 0.35 -0.00 0.66 -0.21 0.00 0.00 178.00 179.41 3hxq h SER 575 N 0.54 0.00 0.28 -2.05 4.64 -2.00 -1.62 113.55 113.34 3hxq h SER 575 Ca 0.58 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.57 3hxq h SER 575 Cb 1.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.07 3hxq h SER 575 CO -0.47 0.00 -1.99 1.21 -0.87 0.00 0.00 176.83 174.72 3hxq n GLU 576 N -3.85 0.66 -0.32 4.77 2.13 0.63 -3.25 120.64 121.42 3hxq n GLU 576 Ca -0.03 0.18 0.06 0.00 0.66 0.00 0.00 57.16 58.03 3hxq n GLU 576 Cb 0.08 -1.68 0.26 0.00 0.27 0.00 0.00 31.44 30.37 3hxq n GLU 576 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3hxq h LEU 577 N 0.00 0.87 -0.58 4.31 3.38 -0.29 0.21 115.31 123.21 3hxq h LEU 577 Ca -0.39 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.45 3hxq h LEU 577 Cb 2.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 3hxq h LEU 577 CO 0.06 0.51 -0.69 0.03 0.09 0.00 0.00 178.44 178.44 3hxq h ARG 578 N 0.96 0.13 0.25 1.13 3.08 -1.50 -2.91 114.38 115.53 3hxq h ARG 578 Ca 0.43 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 3hxq h ARG 578 Cb 0.38 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 3hxq h ARG 578 CO -0.19 0.77 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.23 3hxq h ARG 579 N 0.09 -0.38 -0.40 0.04 2.43 -0.71 -2.79 114.38 112.65 3hxq h ARG 579 Ca -0.01 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3hxq h ARG 579 Cb 1.22 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.78 3hxq h ARG 579 CO 0.10 -0.25 -0.09 0.82 -1.51 0.00 0.00 179.97 179.04 3hxq h ILE 580 N -0.39 0.61 -0.53 1.20 2.04 -0.75 -2.10 117.51 117.59 3hxq h ILE 580 Ca -0.03 -0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.97 3hxq h ILE 580 Cb 0.32 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3hxq h ILE 580 CO 0.03 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.56 3hxq h ALA 581 N 1.39 2.38 0.03 1.87 0.00 -1.30 0.88 119.26 124.51 3hxq h ALA 581 Ca 0.19 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 3hxq h ALA 581 Cb 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hxq h ALA 581 CO -0.40 -0.53 -0.98 0.66 0.00 0.00 0.00 179.25 178.00 3hxq h SER 582 N 0.09 0.15 -0.26 0.00 4.64 -1.13 -3.20 113.55 113.84 3hxq h SER 582 Ca 0.25 -0.14 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 3hxq h SER 582 Cb 0.89 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 62.85 3hxq h SER 582 CO -0.02 1.04 0.19 0.00 -0.87 0.00 0.00 176.83 177.17 3hxq n GLN 583 N -3.51 1.37 -3.06 4.77 3.00 0.30 -4.85 117.38 115.41 3hxq n GLN 583 Ca -0.03 -0.81 -0.41 0.00 -0.01 0.00 0.00 57.00 55.75 3hxq n GLN 583 Cb 0.89 -1.32 -0.06 0.00 0.00 0.00 0.00 30.24 29.76 3hxq n GLN 583 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3hxq s VAL 584 N -1.00 4.92 0.30 5.09 1.01 -1.19 -5.02 120.40 124.50 3hxq s VAL 584 Ca 0.16 1.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.98 3hxq s VAL 584 Cb 0.13 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 3hxq s VAL 584 CO 0.02 -0.08 1.01 -0.54 0.00 0.00 0.00 175.10 175.51 3hxq s LYS 585 N 2.65 4.62 -0.30 2.72 1.02 -1.26 -4.98 119.74 124.21 3hxq s LYS 585 Ca 0.28 1.56 -0.29 0.00 0.02 0.00 0.00 55.97 57.54 3hxq s LYS 585 Cb -0.15 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 3hxq s LYS 585 CO 0.10 0.26 1.42 -0.47 -0.92 0.00 0.00 175.35 175.75 3hxq s TYR 586 N -1.34 2.45 -0.09 3.18 5.04 -1.26 -4.90 117.35 120.43 3hxq s TYR 586 Ca 0.47 0.74 -0.21 0.00 -2.44 0.00 0.00 57.07 55.63 3hxq s TYR 586 Cb -0.26 -4.00 -0.29 0.00 0.35 0.00 0.00 41.96 37.77 3hxq s TYR 586 CO 0.32 -2.14 0.73 0.00 -1.34 0.00 0.00 175.55 173.12 3hxq h ALA 587 N 10.03 0.03 -2.68 3.97 0.00 -1.93 -3.48 119.26 125.20 3hxq h ALA 587 Ca -0.29 -0.83 -0.36 0.00 0.00 0.00 0.00 54.91 53.43 3hxq h ALA 587 Cb 1.12 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 3hxq h ALA 587 CO 1.03 0.50 -0.43 0.41 0.00 0.00 0.00 179.25 180.77 3hxq n GLY 588 N 1.67 0.12 3.53 0.00 0.00 -0.23 -4.93 105.19 105.35 3hxq n GLY 588 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3hxq n GLY 588 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hxq n SER 589 N -1.69 -0.98 -0.01 1.61 3.41 -0.33 -3.25 113.62 112.38 3hxq n SER 589 Ca -0.20 0.15 0.13 0.00 -0.26 0.00 0.00 58.87 58.69 3hxq n SER 589 Cb 0.64 -1.32 0.49 0.00 -0.26 0.00 0.00 64.21 63.76 3hxq n SER 589 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3hxq n GLN 590 N -3.96 0.06 -3.71 4.33 -0.06 -1.26 0.45 117.38 113.23 3hxq n GLN 590 Ca 0.07 -0.02 -0.17 0.00 -2.00 0.00 0.00 57.00 54.88 3hxq n GLN 590 Cb 0.54 -1.50 -0.16 0.00 -4.06 0.00 0.00 30.24 25.06 3hxq n GLN 590 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3hxq s VAL 591 N -2.95 -0.12 -0.45 1.69 1.01 -1.26 -4.89 120.40 113.43 3hxq s VAL 591 Ca 0.14 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3hxq s VAL 591 Cb 0.19 -0.18 0.12 0.00 0.00 0.00 0.00 36.38 36.51 3hxq s VAL 591 CO 0.59 0.13 0.18 0.00 0.00 0.00 0.00 175.10 176.00 3hxq s ALA 592 N 1.72 3.15 -0.54 5.51 0.00 -1.26 -1.66 121.76 128.68 3hxq s ALA 592 Ca -0.02 -2.93 -0.28 0.00 0.00 0.00 0.00 51.96 48.73 3hxq s ALA 592 Cb -0.12 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 20.88 3hxq s ALA 592 CO -0.04 -1.88 1.30 0.45 0.00 0.00 0.00 175.76 175.59 3hxq s SER 593 N 0.40 6.33 0.28 0.00 0.15 -1.12 -4.36 113.70 115.39 3hxq s SER 593 Ca 0.14 0.31 0.02 0.00 0.70 0.00 0.00 55.95 57.12 3hxq s SER 593 Cb -0.22 -2.55 0.43 0.00 -1.71 0.00 0.00 66.02 61.96 3hxq s SER 593 CO -0.04 -1.54 1.75 0.71 1.20 0.00 0.00 173.24 175.32 3hxq h THR 594 N 6.29 1.25 0.29 6.45 1.35 -1.94 -2.71 112.91 123.89 3hxq h THR 594 Ca -0.26 -1.16 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 3hxq h THR 594 Cb 1.08 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3hxq h THR 594 CO 1.16 0.38 -0.14 0.28 -0.25 0.00 0.00 175.52 176.95 3hxq h SER 595 N 0.48 -0.33 -0.56 5.36 0.02 -1.89 -1.40 113.55 115.24 3hxq h SER 595 Ca 0.08 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 3hxq h SER 595 Cb 0.59 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 3hxq h SER 595 CO 0.04 -0.09 0.27 -0.33 -1.14 0.00 0.00 176.83 175.58 3hxq h GLU 596 N -0.57 0.49 -0.33 3.45 4.39 -1.86 0.21 114.58 120.35 3hxq h GLU 596 Ca -0.04 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 3hxq h GLU 596 Cb 0.41 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3hxq h GLU 596 CO 0.07 0.32 -0.43 -0.24 -1.16 0.00 0.00 179.01 177.56 3hxq h VAL 597 N 0.50 1.28 -0.04 3.13 3.04 -1.49 0.44 116.25 123.10 3hxq h VAL 597 Ca 0.26 -1.61 -0.03 0.00 -1.01 0.00 0.00 66.70 64.30 3hxq h VAL 597 Cb 0.21 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 3hxq h VAL 597 CO -0.20 0.53 -0.14 -0.07 -1.01 0.00 0.00 177.57 176.68 3hxq h LEU 598 N 0.68 0.06 0.33 3.16 3.38 -0.91 0.18 115.31 122.19 3hxq h LEU 598 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hxq h LEU 598 Cb 1.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3hxq h LEU 598 CO 0.10 0.20 -0.16 0.50 0.09 0.00 0.00 178.44 179.18 3hxq h LYS 599 N 0.06 -0.43 -0.47 1.13 3.64 0.27 -2.13 116.57 118.65 3hxq h LYS 599 Ca 0.01 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 3hxq h LYS 599 Cb 0.28 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 3hxq h LYS 599 CO 0.02 -0.10 -0.23 -0.92 -2.27 0.00 0.00 179.45 175.94 3hxq h TYR 600 N -0.84 -0.60 -0.70 1.91 3.20 0.26 -0.04 116.97 120.16 3hxq h TYR 600 Ca -0.05 0.05 0.10 0.00 3.14 0.00 0.00 58.73 61.98 3hxq h TYR 600 Cb 0.52 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 3hxq h TYR 600 CO 0.03 -0.31 0.33 1.15 -1.64 0.00 0.00 178.16 177.72 3hxq h THR 601 N -0.13 0.82 -0.42 1.81 2.02 -0.70 0.42 112.91 116.73 3hxq h THR 601 Ca 0.22 -0.19 -0.14 0.00 0.77 0.00 0.00 66.41 67.07 3hxq h THR 601 Cb 0.48 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3hxq h THR 601 CO -0.55 0.10 -0.28 0.25 0.37 0.00 0.00 175.52 175.41 3hxq h LEU 602 N 0.56 0.95 0.00 2.58 5.85 -0.36 -0.55 115.31 124.33 3hxq h LEU 602 Ca 0.35 -0.38 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 3hxq h LEU 602 Cb 0.40 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3hxq h LEU 602 CO -0.29 1.16 -2.07 0.49 -0.34 0.00 0.00 178.44 177.39 3hxq n PHE 603 N -4.09 0.00 -0.11 1.25 3.72 -0.29 -3.59 117.46 114.35 3hxq n PHE 603 Ca -0.01 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.20 3hxq n PHE 603 Cb 0.48 -0.63 -0.06 0.00 -0.94 0.00 0.00 39.48 38.33 3hxq n PHE 603 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3hxq n GLN 604 N -2.38 0.55 -0.04 -1.08 1.13 0.15 -3.99 117.38 111.72 3hxq n GLN 604 Ca -0.13 0.23 -0.13 0.00 -1.94 0.00 0.00 57.00 55.03 3hxq n GLN 604 Cb 0.73 -1.44 -0.11 0.00 0.11 0.00 0.00 30.24 29.53 3hxq n GLN 604 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3hxq h ILE 605 N -0.98 1.53 -0.82 5.09 2.04 -1.38 -3.34 117.51 119.64 3hxq h ILE 605 Ca -0.36 -1.73 -0.53 0.00 1.00 0.00 0.00 64.86 63.24 3hxq h ILE 605 Cb 1.30 2.68 -0.29 0.00 -0.74 0.00 0.00 36.82 39.76 3hxq h ILE 605 CO -0.22 0.44 0.27 0.49 0.00 0.00 0.00 178.15 179.13 3hxq n PHE 606 N -4.74 2.71 0.19 1.37 3.72 -0.24 -4.59 117.46 115.87 3hxq n PHE 606 Ca -0.09 -2.41 -0.15 0.00 -0.05 0.00 0.00 57.45 54.76 3hxq n PHE 606 Cb 0.36 -0.94 -0.08 0.00 -0.94 0.00 0.00 39.48 37.88 3hxq n PHE 606 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3hxq h SER 607 N 1.71 -0.37 -2.91 4.37 0.87 -1.69 -3.43 113.55 112.10 3hxq h SER 607 Ca 0.49 0.01 -0.60 0.00 -1.23 0.00 0.00 61.79 60.46 3hxq h SER 607 Cb 1.45 0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 63.41 3hxq h SER 607 CO 1.11 -0.26 -0.62 -0.54 -0.53 0.00 0.00 176.83 175.98 3hxq s LYS 608 N -6.13 2.62 -0.68 2.24 1.02 -1.26 -5.06 119.74 112.50 3hxq s LYS 608 Ca -0.15 -0.96 -0.19 0.00 0.02 0.00 0.00 55.97 54.69 3hxq s LYS 608 Cb 0.05 -2.51 0.11 0.00 -0.52 0.00 0.00 37.83 34.97 3hxq s LYS 608 CO 0.64 0.48 0.82 0.42 -0.92 0.00 0.00 175.35 176.80 3hxq s ILE 609 N -1.65 4.79 0.33 2.17 -1.09 -1.26 -4.91 121.20 119.58 3hxq s ILE 609 Ca 0.28 -1.11 0.07 0.00 -2.23 0.00 0.00 60.65 57.66 3hxq s ILE 609 Cb -0.10 -4.57 0.09 0.00 -1.58 0.00 0.00 42.46 36.30 3hxq s ILE 609 CO 0.20 -1.24 1.79 0.44 -1.23 0.00 0.00 174.94 174.90 3hxq h ASP 610 N 9.07 0.27 -1.71 3.58 5.19 -1.97 -3.39 116.42 127.46 3hxq h ASP 610 Ca -0.18 -0.09 -0.30 0.00 -0.62 0.00 0.00 57.03 55.84 3hxq h ASP 610 Cb 1.07 -0.07 -0.28 0.00 0.18 0.00 0.00 39.33 40.23 3hxq h ASP 610 CO 1.09 0.55 -0.63 0.00 -3.12 0.00 0.00 179.24 177.13 3hxq s ARG 611 N -4.42 0.70 0.43 3.56 1.70 -1.26 -5.02 118.95 114.63 3hxq s ARG 611 Ca -0.05 -0.75 0.15 0.00 -0.47 0.00 0.00 55.73 54.61 3hxq s ARG 611 Cb 0.14 -0.53 1.04 0.00 -0.57 0.00 0.00 34.95 35.04 3hxq s ARG 611 CO 0.76 -1.20 1.93 -1.35 -1.08 0.00 0.00 175.30 174.36 3hxq h PRO 612 N 6.99 0.41 0.00 3.89 0.11 -2.01 -2.59 132.00 138.80 3hxq h PRO 612 Ca 0.06 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3hxq h PRO 612 Cb 1.08 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hxq h PRO 612 CO 0.17 0.27 -0.13 1.05 -0.21 0.00 0.00 178.00 179.15 3hxq h GLU 613 N 0.42 0.00 0.00 1.05 9.09 -1.98 -3.45 114.58 119.72 3hxq h GLU 613 Ca 0.36 0.00 -0.46 0.00 0.05 0.00 0.00 59.36 59.31 3hxq h GLU 613 Cb 0.79 0.00 0.13 0.00 -1.65 0.00 0.00 28.75 28.03 3hxq h GLU 613 CO -0.11 0.13 0.28 0.00 0.05 0.00 0.00 179.01 179.36 3hxq n ALA 614 N -2.22 -0.71 -2.51 1.06 0.00 -0.98 -4.90 120.51 110.25 3hxq n ALA 614 Ca -0.01 -1.89 -0.33 0.00 0.00 0.00 0.00 53.44 51.22 3hxq n ALA 614 Cb 0.31 0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 3hxq n ALA 614 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hxq s SER 615 N -5.59 4.21 -0.10 0.00 0.01 -0.92 -4.96 113.70 106.36 3hxq s SER 615 Ca 0.73 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.77 3hxq s SER 615 Cb -0.03 -0.91 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 3hxq s SER 615 CO 0.50 0.32 -0.00 -0.13 0.41 0.00 0.00 173.24 174.34 3hxq s ARG 616 N -0.98 3.13 -0.06 12.44 0.52 -1.26 0.51 118.95 133.26 3hxq s ARG 616 Ca 0.13 -0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 54.90 3hxq s ARG 616 Cb -0.11 -2.83 0.03 0.00 0.52 0.00 0.00 34.95 32.56 3hxq s ARG 616 CO 0.03 0.61 0.03 0.42 0.02 0.00 0.00 175.30 176.41 3hxq s ILE 617 N -0.64 0.14 -0.52 1.52 1.01 0.35 -1.10 121.20 121.96 3hxq s ILE 617 Ca 0.10 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.84 3hxq s ILE 617 Cb -0.12 -0.34 0.07 0.00 0.01 0.00 0.00 42.46 42.08 3hxq s ILE 617 CO 0.02 0.22 0.60 0.00 0.00 0.00 0.00 174.94 175.78 3hxq s ALA 618 N 2.06 3.43 -0.72 9.38 0.00 0.56 -0.30 121.76 136.16 3hxq s ALA 618 Ca 0.05 -1.93 -0.23 0.00 0.00 0.00 0.00 51.96 49.85 3hxq s ALA 618 Cb -0.12 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.72 3hxq s ALA 618 CO -0.04 -2.04 1.09 -1.17 0.00 0.00 0.00 175.76 173.60 3hxq s LEU 619 N 2.45 4.09 -0.76 0.00 2.96 0.64 -0.91 118.68 127.15 3hxq s LEU 619 Ca 0.12 -0.98 -0.21 0.00 -0.22 0.00 0.00 54.13 52.85 3hxq s LEU 619 Cb -0.21 -2.46 0.10 0.00 0.50 0.00 0.00 46.19 44.12 3hxq s LEU 619 CO 0.10 -1.51 0.99 -0.22 -1.32 0.00 0.00 176.35 174.39 3hxq s LEU 620 N 4.41 4.79 -0.73 -0.68 2.96 -0.32 -1.52 118.68 127.59 3hxq s LEU 620 Ca 0.28 -1.47 -0.22 0.00 -0.22 0.00 0.00 54.13 52.49 3hxq s LEU 620 Cb -0.13 -2.39 0.08 0.00 0.50 0.00 0.00 46.19 44.25 3hxq s LEU 620 CO 0.08 -1.25 1.03 -0.76 -1.32 0.00 0.00 176.35 174.14 3hxq s LEU 621 N 3.33 4.42 0.23 -0.68 1.43 -0.12 -0.81 118.68 126.48 3hxq s LEU 621 Ca 0.25 -1.18 0.11 0.00 -1.03 0.00 0.00 54.13 52.28 3hxq s LEU 621 Cb -0.13 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 3hxq s LEU 621 CO 0.02 -1.39 -0.21 0.00 0.23 0.00 0.00 176.35 174.99 3hxq s MET 622 N 3.92 1.57 0.00 1.70 0.23 -0.87 -1.46 119.30 124.39 3hxq s MET 622 Ca 0.26 -1.64 0.00 0.00 -1.03 0.00 0.00 55.69 53.28 3hxq s MET 622 Cb -0.14 -1.75 0.00 0.00 -1.53 0.00 0.00 34.83 31.41 3hxq s MET 622 CO 0.06 0.35 0.60 0.00 -2.03 0.00 0.00 175.02 174.00 3hxq n ALA 623 N -0.18 1.92 -2.84 3.16 0.00 -1.26 -1.57 120.51 119.73 3hxq n ALA 623 Ca -0.09 -0.27 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 3hxq n ALA 623 Cb 0.58 -0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 3hxq n ALA 623 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hxq s SER 624 N -0.25 0.89 -0.24 0.00 1.04 -1.21 -3.70 113.70 110.23 3hxq s SER 624 Ca 0.00 -1.47 0.02 0.00 0.48 0.00 0.00 55.95 54.98 3hxq s SER 624 Cb 0.00 0.64 0.05 0.00 0.10 0.00 0.00 66.02 66.82 3hxq s SER 624 CO 0.00 -1.26 -0.11 -1.10 0.98 0.00 0.00 173.24 171.75 3hxq s GLN 625 N -3.17 2.18 0.78 4.02 -0.21 -1.22 -2.33 119.66 119.70 3hxq s GLN 625 Ca 0.31 -1.16 -0.13 0.00 0.02 0.00 0.00 55.36 54.39 3hxq s GLN 625 Cb 0.00 -2.74 0.06 0.00 1.00 0.00 0.00 33.01 31.34 3hxq s GLN 625 CO 0.20 -0.52 1.18 -1.83 -2.12 0.00 0.00 175.29 172.20 3hxq s GLU 626 N 1.21 1.90 0.30 2.91 -1.05 -1.26 -4.91 118.70 117.81 3hxq s GLU 626 Ca -0.06 1.64 -0.29 0.00 -0.15 0.00 0.00 54.97 56.12 3hxq s GLU 626 Cb -0.19 -1.82 -0.13 0.00 -0.44 0.00 0.00 34.13 31.55 3hxq s GLU 626 CO -0.06 -1.99 1.21 -2.30 0.95 0.00 0.00 175.26 173.06 3hxq n PRO 627 N -3.14 1.81 0.20 -4.83 -0.02 -1.26 -4.85 135.00 122.91 3hxq n PRO 627 Ca 0.13 0.64 0.07 0.00 -2.02 0.00 0.00 63.50 62.31 3hxq n PRO 627 Cb 0.51 -2.16 0.57 0.00 -0.02 0.00 0.00 33.50 32.40 3hxq n PRO 627 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3hxq h GLN 628 N 2.67 0.10 0.00 -0.52 4.20 -2.02 -1.68 115.11 117.87 3hxq h GLN 628 Ca -0.44 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.27 3hxq h GLN 628 Cb 1.30 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3hxq h GLN 628 CO 0.64 0.11 0.00 -2.13 -0.67 0.00 0.00 178.83 176.78 3hxq n ARG 629 N -4.48 0.20 0.06 1.46 0.63 -1.26 -2.01 116.66 111.26 3hxq n ARG 629 Ca -0.02 0.37 0.12 0.00 -0.92 0.00 0.00 57.85 57.40 3hxq n ARG 629 Cb 0.12 -1.84 0.27 0.00 0.45 0.00 0.00 32.46 31.45 3hxq n ARG 629 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 3hxq n MET 630 N -2.21 0.23 0.00 -0.14 2.81 -0.63 -3.72 117.12 113.46 3hxq n MET 630 Ca 0.03 0.10 0.16 0.00 -1.81 0.00 0.00 57.70 56.18 3hxq n MET 630 Cb 0.27 -1.68 0.88 0.00 -0.71 0.00 0.00 33.22 31.98 3hxq n MET 630 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3hxq n SER 631 N -2.03 0.03 -0.10 7.83 7.64 -0.85 -4.37 113.62 121.77 3hxq n SER 631 Ca 0.04 -0.73 -0.03 0.00 1.01 0.00 0.00 58.87 59.17 3hxq n SER 631 Cb 0.42 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.50 3hxq n SER 631 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hxq n ARG 632 N -1.07 -0.10 -1.21 1.43 5.12 -1.24 -1.33 116.66 118.26 3hxq n ARG 632 Ca 0.21 0.77 -0.24 0.00 -1.93 0.00 0.00 57.85 56.66 3hxq n ARG 632 Cb 0.16 -1.15 0.17 0.00 -1.16 0.00 0.00 32.46 30.48 3hxq n ARG 632 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3hxq n ASN 633 N -3.41 4.10 0.20 0.55 3.02 -1.26 -4.70 115.26 113.76 3hxq n ASN 633 Ca 0.00 -3.65 -0.08 0.00 -0.03 0.00 0.00 54.58 50.83 3hxq n ASN 633 Cb 0.06 -0.83 -0.04 0.00 -0.61 0.00 0.00 39.78 38.36 3hxq n ASN 633 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3hxq h PHE 634 N 1.12 -0.47 -0.91 3.10 3.57 -1.48 -2.60 116.94 119.27 3hxq h PHE 634 Ca 0.60 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.34 3hxq h PHE 634 Cb 2.53 0.16 -0.14 0.00 2.79 0.00 0.00 35.95 41.28 3hxq h PHE 634 CO 1.53 -0.30 0.33 0.28 -2.23 0.00 0.00 178.31 177.92 3hxq h VAL 635 N -0.53 0.31 -0.68 1.41 2.07 -1.84 0.32 116.25 117.32 3hxq h VAL 635 Ca -0.05 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.53 3hxq h VAL 635 Cb 0.39 0.05 -0.12 0.00 -1.52 0.00 0.00 31.29 30.09 3hxq h VAL 635 CO 0.09 0.05 -0.07 -0.09 0.02 0.00 0.00 177.57 177.56 3hxq h ARG 636 N 0.25 0.06 -0.26 1.57 2.43 -1.84 0.36 114.38 116.94 3hxq h ARG 636 Ca 0.60 -0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.58 3hxq h ARG 636 Cb 1.25 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3hxq h ARG 636 CO -0.64 0.04 -0.57 1.88 -1.51 0.00 0.00 179.97 179.16 3hxq h TYR 637 N 0.06 1.04 -0.35 2.20 0.05 -0.02 0.46 116.97 120.41 3hxq h TYR 637 Ca 0.35 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3hxq h TYR 637 Cb 0.57 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 3hxq h TYR 637 CO -0.46 1.20 0.22 0.28 -1.05 0.00 0.00 178.16 178.35 3hxq h VAL 638 N 0.62 1.11 -0.20 -2.88 2.07 -0.33 -1.69 116.25 114.95 3hxq h VAL 638 Ca 0.01 -0.23 -0.16 0.00 0.82 0.00 0.00 66.70 67.14 3hxq h VAL 638 Cb 1.18 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3hxq h VAL 638 CO 0.12 0.11 -0.53 1.56 0.02 0.00 0.00 177.57 178.85 3hxq h GLN 639 N 0.47 0.57 -0.49 1.57 4.20 -0.28 -1.96 115.11 119.18 3hxq h GLN 639 Ca 0.13 -0.35 0.05 0.00 0.06 0.00 0.00 58.65 58.54 3hxq h GLN 639 Cb -0.02 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3hxq h GLN 639 CO -0.03 0.96 0.33 0.78 -0.67 0.00 0.00 178.83 180.20 3hxq h GLY 640 N 1.04 0.57 1.62 3.46 0.00 -0.67 -0.94 103.07 108.15 3hxq h GLY 640 Ca 0.01 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 46.93 3hxq h GLY 640 CO 0.10 0.15 -0.96 1.41 0.00 0.00 0.00 176.54 177.25 3hxq h LEU 641 N 0.47 0.44 -0.96 3.11 3.38 -0.96 -3.02 115.31 117.78 3hxq h LEU 641 Ca 0.21 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3hxq h LEU 641 Cb 0.23 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3hxq h LEU 641 CO -0.05 1.18 0.63 0.50 0.09 0.00 0.00 178.44 180.78 3hxq h LYS 642 N 0.18 1.20 -0.23 1.13 3.64 -0.44 0.39 116.57 122.43 3hxq h LYS 642 Ca -0.08 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 3hxq h LYS 642 Cb 1.60 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3hxq h LYS 642 CO 0.16 0.79 -0.40 0.87 -2.27 0.00 0.00 179.45 178.60 3hxq h LYS 643 N 1.23 0.54 -0.67 1.90 1.57 -1.36 -2.12 116.57 117.66 3hxq h LYS 643 Ca 0.37 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3hxq h LYS 643 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3hxq h LYS 643 CO -0.11 0.85 0.00 1.63 -0.57 0.00 0.00 179.45 181.25 3hxq n LYS 644 N -4.03 1.54 -3.75 3.15 5.02 -0.87 -4.89 118.16 114.33 3hxq n LYS 644 Ca -0.02 -0.50 -0.27 0.00 -2.02 0.00 0.00 58.31 55.51 3hxq n LYS 644 Cb 0.51 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 34.09 3hxq n LYS 644 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3hxq n LYS 645 N 0.03 -2.68 -4.06 1.97 3.00 -0.80 -4.98 118.16 110.64 3hxq n LYS 645 Ca 0.04 0.49 -0.32 0.00 -0.00 0.00 0.00 58.31 58.53 3hxq n LYS 645 Cb 0.31 -4.53 -0.15 0.00 0.00 0.00 0.00 35.03 30.66 3hxq n LYS 645 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3hxq s VAL 646 N -3.66 2.18 0.48 3.15 1.01 0.07 -4.07 120.40 119.57 3hxq s VAL 646 Ca 0.23 -1.76 -0.23 0.00 0.00 0.00 0.00 61.98 60.22 3hxq s VAL 646 Cb -0.08 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 3hxq s VAL 646 CO 0.85 -0.13 1.29 -0.63 0.00 0.00 0.00 175.10 176.49 3hxq s ILE 647 N 1.07 2.50 -0.12 2.22 1.01 -0.26 -4.32 121.20 123.30 3hxq s ILE 647 Ca -0.05 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.01 3hxq s ILE 647 Cb -0.20 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.07 3hxq s ILE 647 CO -0.06 0.02 -0.17 -0.69 0.00 0.00 0.00 174.94 174.04 3hxq s VAL 648 N -1.36 1.69 -0.35 2.92 1.01 -1.26 -0.33 120.40 122.72 3hxq s VAL 648 Ca 0.65 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3hxq s VAL 648 Cb -0.37 -1.53 0.09 0.00 0.00 0.00 0.00 36.38 34.57 3hxq s VAL 648 CO 0.45 0.48 0.09 -0.63 0.00 0.00 0.00 175.10 175.49 3hxq s ILE 649 N 1.00 2.74 0.08 2.22 -1.09 -0.09 -4.36 121.20 121.70 3hxq s ILE 649 Ca -0.05 -2.06 -0.31 0.00 -2.23 0.00 0.00 60.65 56.00 3hxq s ILE 649 Cb -0.15 -2.88 -0.07 0.00 -1.58 0.00 0.00 42.46 37.79 3hxq s ILE 649 CO -0.03 -0.53 1.32 -2.84 -1.23 0.00 0.00 174.94 171.63 3hxq s PRO 650 N 1.05 4.35 -0.34 2.79 0.02 -1.25 -1.17 135.00 140.46 3hxq s PRO 650 Ca 0.06 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.04 3hxq s PRO 650 Cb -0.21 -3.34 0.09 0.00 0.02 0.00 0.00 34.50 31.06 3hxq s PRO 650 CO -0.05 -0.40 0.05 0.08 -0.33 0.00 0.00 177.00 176.35 3hxq s VAL 651 N 1.32 2.67 -0.79 3.83 1.01 0.01 -0.85 120.40 127.59 3hxq s VAL 651 Ca 0.62 -1.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.42 3hxq s VAL 651 Cb -0.33 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.34 3hxq s VAL 651 CO 0.29 -0.43 1.13 -0.83 0.00 0.00 0.00 175.10 175.26 3hxq s GLY 652 N 1.25 1.40 -0.34 4.51 0.00 0.13 -2.05 107.32 112.22 3hxq s GLY 652 Ca 0.04 -2.05 -0.12 0.00 0.00 0.00 0.00 44.72 42.59 3hxq s GLY 652 CO -0.05 2.24 0.22 -0.42 0.00 0.00 0.00 173.10 175.09 3hxq s ILE 653 N 4.16 4.98 0.00 0.90 1.01 -0.61 0.10 121.20 131.74 3hxq s ILE 653 Ca 0.30 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3hxq s ILE 653 Cb -0.10 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.76 3hxq s ILE 653 CO 0.03 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.53 3hxq n GLY 654 N 5.06 0.59 0.03 6.18 0.00 -1.17 -4.26 105.19 111.62 3hxq n GLY 654 Ca -0.13 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.10 3hxq n GLY 654 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hxq n PRO 655 N 0.96 0.06 -0.04 1.61 -0.02 -1.26 -3.11 135.00 133.19 3hxq n PRO 655 Ca 0.00 0.19 0.09 0.00 -2.02 0.00 0.00 63.50 61.76 3hxq n PRO 655 Cb 0.00 -1.59 0.10 0.00 -0.02 0.00 0.00 33.50 31.99 3hxq n PRO 655 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hxq n HIS 656 N -1.69 0.10 -1.67 6.00 8.25 -1.26 -4.94 115.22 120.01 3hxq n HIS 656 Ca 0.05 -0.07 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3hxq n HIS 656 Cb 0.26 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 3hxq n HIS 656 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hxq n ALA 657 N 1.07 1.85 -1.55 -1.41 0.00 -1.18 -3.31 120.51 115.98 3hxq n ALA 657 Ca 0.12 0.25 -0.22 0.00 0.00 0.00 0.00 53.44 53.59 3hxq n ALA 657 Cb 0.48 -2.65 -0.08 0.00 0.00 0.00 0.00 19.45 17.20 3hxq n ALA 657 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hxq n ASN 658 N 6.74 1.47 -0.25 0.00 2.85 -0.98 -4.76 115.26 120.33 3hxq n ASN 658 Ca 0.19 -1.01 -0.06 0.00 -0.11 0.00 0.00 54.58 53.60 3hxq n ASN 658 Cb 0.39 -1.46 0.05 0.00 1.24 0.00 0.00 39.78 40.00 3hxq n ASN 658 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3hxq h LEU 659 N 19.80 0.86 0.20 1.20 5.85 -1.92 -1.83 115.31 139.47 3hxq h LEU 659 Ca -0.07 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3hxq h LEU 659 Cb 1.11 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3hxq h LEU 659 CO 1.14 0.70 -0.27 0.50 -0.34 0.00 0.00 178.44 180.17 3hxq h LYS 660 N 0.96 -0.51 -0.86 1.25 3.64 -2.00 -1.55 116.57 117.50 3hxq h LYS 660 Ca 0.25 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 3hxq h LYS 660 Cb 0.02 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 3hxq h LYS 660 CO -0.04 -0.34 0.57 1.96 -2.27 0.00 0.00 179.45 179.32 3hxq h GLN 661 N -0.53 1.08 0.30 1.90 4.20 -1.92 0.17 115.11 120.31 3hxq h GLN 661 Ca 0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3hxq h GLN 661 Cb 0.52 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3hxq h GLN 661 CO -0.11 0.71 -0.28 0.82 -0.67 0.00 0.00 178.83 179.31 3hxq h ILE 662 N 1.11 0.41 -0.75 2.54 2.04 -0.87 0.21 117.51 122.20 3hxq h ILE 662 Ca 0.33 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.17 3hxq h ILE 662 Cb -0.05 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 3hxq h ILE 662 CO -0.09 0.00 0.41 0.03 0.00 0.00 0.00 178.15 178.50 3hxq h ARG 663 N -0.61 1.04 -0.82 2.37 3.08 -1.02 -0.75 114.38 117.67 3hxq h ARG 663 Ca -0.02 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3hxq h ARG 663 Cb 0.55 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 3hxq h ARG 663 CO -0.05 0.77 0.49 1.25 -1.07 0.00 0.00 179.97 181.36 3hxq h LEU 664 N 1.05 1.00 -0.02 3.04 5.85 -0.17 -0.62 115.31 125.43 3hxq h LEU 664 Ca 0.27 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3hxq h LEU 664 Cb 0.03 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 3hxq h LEU 664 CO -0.04 0.78 0.00 0.40 -0.34 0.00 0.00 178.44 179.24 3hxq h ILE 665 N 1.13 1.22 -0.53 4.05 2.04 -0.14 -3.06 117.51 122.23 3hxq h ILE 665 Ca 0.29 -0.65 0.11 0.00 1.00 0.00 0.00 64.86 65.61 3hxq h ILE 665 Cb -0.03 1.63 -0.10 0.00 -0.74 0.00 0.00 36.82 37.58 3hxq h ILE 665 CO -0.05 0.17 -0.14 -0.33 0.00 0.00 0.00 178.15 177.80 3hxq h GLU 666 N -0.24 -0.01 -0.90 2.37 5.08 -0.73 -1.89 114.58 118.25 3hxq h GLU 666 Ca 0.01 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3hxq h GLU 666 Cb 0.28 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 3hxq h GLU 666 CO 0.00 -0.01 0.54 -0.22 -1.00 0.00 0.00 179.01 178.32 3hxq h LYS 667 N -0.01 0.86 0.04 2.33 3.64 -1.08 -3.05 116.57 119.30 3hxq h LYS 667 Ca 0.25 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 3hxq h LYS 667 Cb 0.40 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3hxq h LYS 667 CO -0.55 0.57 -0.26 1.96 -2.27 0.00 0.00 179.45 178.90 3hxq h GLN 668 N 0.88 -0.40 -5.68 1.90 1.08 -1.24 -3.42 115.11 108.23 3hxq h GLN 668 Ca 0.44 0.03 -0.58 0.00 -1.45 0.00 0.00 58.65 57.09 3hxq h GLN 668 Cb 0.41 0.09 -0.30 0.00 -0.05 0.00 0.00 27.48 27.63 3hxq h GLN 668 CO -0.25 -0.27 -0.84 0.00 -0.95 0.00 0.00 178.83 176.51 3hxq s ALA 669 N -6.06 1.60 0.26 3.87 0.00 -1.15 -5.04 121.76 115.24 3hxq s ALA 669 Ca -0.15 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 3hxq s ALA 669 Cb 0.09 -0.45 0.37 0.00 0.00 0.00 0.00 23.12 23.12 3hxq s ALA 669 CO 0.66 0.35 1.90 -1.35 0.00 0.00 0.00 175.76 177.32 3hxq h PRO 670 N 5.88 1.20 -0.40 0.00 0.11 -1.83 -0.92 132.00 136.04 3hxq h PRO 670 Ca -0.36 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hxq h PRO 670 Cb 1.16 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3hxq h PRO 670 CO 0.48 0.79 0.00 -0.85 -0.21 0.00 0.00 178.00 178.21 3hxq n GLU 671 N -4.46 1.33 -1.82 1.05 0.00 -1.26 -4.27 120.64 111.22 3hxq n GLU 671 Ca 0.14 -0.38 -0.34 0.00 0.00 0.00 0.00 57.16 56.58 3hxq n GLU 671 Cb 0.12 -1.26 -0.02 0.00 0.00 0.00 0.00 31.44 30.28 3hxq n GLU 671 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3hxq n ASN 672 N -0.11 7.28 -4.75 -1.84 4.13 -0.35 -4.66 115.26 114.96 3hxq n ASN 672 Ca 0.03 -3.26 -0.35 0.00 1.68 0.00 0.00 54.58 52.68 3hxq n ASN 672 Cb 0.19 -1.27 0.04 0.00 -1.54 0.00 0.00 39.78 37.20 3hxq n ASN 672 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3hxq s LYS 673 N -1.85 2.85 0.11 3.52 2.20 -1.26 -4.11 119.74 121.20 3hxq s LYS 673 Ca 0.55 1.78 0.08 0.00 -0.36 0.00 0.00 55.97 58.01 3hxq s LYS 673 Cb 0.29 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.65 3hxq s LYS 673 CO -0.18 -1.29 -0.20 0.00 -0.36 0.00 0.00 175.35 173.33 3hxq s ALA 674 N -1.71 1.77 -0.25 3.13 0.00 -1.26 -3.86 121.76 119.57 3hxq s ALA 674 Ca 0.76 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 3hxq s ALA 674 Cb -0.29 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.64 3hxq s ALA 674 CO 0.35 0.32 -0.07 -0.06 0.00 0.00 0.00 175.76 176.30 3hxq s PHE 675 N -1.33 3.11 -0.43 0.00 0.40 -0.03 -5.00 117.98 114.70 3hxq s PHE 675 Ca 0.07 -1.74 -0.13 0.00 -0.60 0.00 0.00 56.93 54.53 3hxq s PHE 675 Cb -0.09 -2.03 0.05 0.00 0.51 0.00 0.00 43.02 41.46 3hxq s PHE 675 CO 0.04 -0.77 0.31 0.08 0.70 0.00 0.00 175.22 175.58 3hxq s VAL 676 N 1.27 4.93 0.20 -0.44 1.01 -1.26 0.19 120.40 126.30 3hxq s VAL 676 Ca -0.02 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.01 3hxq s VAL 676 Cb -0.17 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3hxq s VAL 676 CO -0.05 -0.44 0.21 -0.76 0.00 0.00 0.00 175.10 174.06 3hxq s LEU 677 N 1.59 3.97 0.10 3.92 1.43 0.28 -4.93 118.68 125.04 3hxq s LEU 677 Ca 0.04 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3hxq s LEU 677 Cb -0.22 -2.54 -0.19 0.00 0.03 0.00 0.00 46.19 43.26 3hxq s LEU 677 CO 0.07 0.02 1.21 -1.28 0.23 0.00 0.00 176.35 176.59 3hxq h SER 678 N 1.93 0.58 -2.38 2.29 0.87 -1.92 -3.10 113.55 111.83 3hxq h SER 678 Ca -0.49 -0.53 0.07 0.00 -1.23 0.00 0.00 61.79 59.62 3hxq h SER 678 Cb 1.21 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3hxq h SER 678 CO 0.63 1.35 0.38 -1.54 -0.53 0.00 0.00 176.83 177.13 3hxq n SER 679 N -3.70 -1.63 0.29 6.23 3.41 -1.26 -3.48 113.62 113.49 3hxq n SER 679 Ca -0.09 -1.98 0.19 0.00 -0.26 0.00 0.00 58.87 56.73 3hxq n SER 679 Cb 0.93 2.67 0.93 0.00 -0.26 0.00 0.00 64.21 68.48 3hxq n SER 679 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3hxq h VAL 680 N 1.81 0.00 0.23 -3.33 -1.51 -1.92 -2.71 116.25 108.83 3hxq h VAL 680 Ca -0.25 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 65.02 3hxq h VAL 680 Cb 1.00 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 3hxq h VAL 680 CO 0.32 0.00 -0.11 0.44 -1.23 0.00 0.00 177.57 176.99 3hxq h ASP 681 N 0.00 -0.27 0.24 4.19 3.32 -1.96 -2.86 116.42 119.09 3hxq h ASP 681 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3hxq h ASP 681 Cb 0.20 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3hxq h ASP 681 CO 0.00 -0.02 0.00 1.21 -1.72 0.00 0.00 179.24 178.71 3hxq n GLU 682 N -5.14 0.05 0.06 3.56 2.13 -1.02 -2.96 120.64 117.31 3hxq n GLU 682 Ca -0.09 0.44 -0.12 0.00 0.66 0.00 0.00 57.16 58.05 3hxq n GLU 682 Cb 0.21 -1.62 -0.05 0.00 0.27 0.00 0.00 31.44 30.25 3hxq n GLU 682 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3hxq h LEU 683 N 0.00 -0.91 -0.78 4.31 3.38 -1.53 -2.54 115.31 117.24 3hxq h LEU 683 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hxq h LEU 683 Cb 0.12 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3hxq h LEU 683 CO 0.00 -0.37 0.45 -0.08 0.09 0.00 0.00 178.44 178.53 3hxq h GLU 684 N -0.46 1.07 0.00 1.13 4.81 -1.72 -2.55 114.58 116.87 3hxq h GLU 684 Ca 0.06 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3hxq h GLU 684 Cb 0.54 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3hxq h GLU 684 CO -0.25 0.77 0.10 1.04 -0.73 0.00 0.00 179.01 179.94 3hxq n GLN 685 N -4.46 0.09 -0.31 1.92 6.02 -0.97 -0.86 117.38 118.82 3hxq n GLN 685 Ca 0.07 0.57 0.07 0.00 -0.01 0.00 0.00 57.00 57.71 3hxq n GLN 685 Cb 0.07 -1.91 0.12 0.00 1.02 0.00 0.00 30.24 29.55 3hxq n GLN 685 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hxq n GLN 686 N -2.02 1.05 -0.08 -1.09 6.02 -0.97 -4.81 117.38 115.49 3hxq n GLN 686 Ca -0.01 -2.40 -0.07 0.00 -0.01 0.00 0.00 57.00 54.51 3hxq n GLN 686 Cb 0.12 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 3hxq n GLN 686 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hxq h ARG 687 N 0.22 0.01 0.60 -1.09 3.08 -0.95 -0.83 114.38 115.42 3hxq h ARG 687 Ca -0.01 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3hxq h ARG 687 Cb 1.11 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.17 3hxq h ARG 687 CO 0.00 0.01 -0.29 -0.44 -1.07 0.00 0.00 179.97 178.19 3hxq h ASP 688 N 0.01 -0.68 -0.82 7.04 3.32 -1.87 -0.52 116.42 122.90 3hxq h ASP 688 Ca 0.14 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.27 3hxq h ASP 688 Cb 0.22 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3hxq h ASP 688 CO -0.30 -0.46 0.54 1.05 -1.72 0.00 0.00 179.24 178.35 3hxq h GLU 689 N -0.84 0.85 0.34 3.56 9.09 -1.88 0.14 114.58 125.84 3hxq h GLU 689 Ca -0.08 -0.05 -0.02 0.00 0.05 0.00 0.00 59.36 59.26 3hxq h GLU 689 Cb 0.63 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3hxq h GLU 689 CO 0.13 0.56 -0.16 0.82 0.05 0.00 0.00 179.01 180.41 3hxq h ILE 690 N 0.88 0.17 -0.99 -1.06 2.04 -1.07 -2.60 117.51 114.87 3hxq h ILE 690 Ca 0.36 -0.72 0.16 0.00 1.00 0.00 0.00 64.86 65.66 3hxq h ILE 690 Cb 0.27 0.28 -0.10 0.00 -0.74 0.00 0.00 36.82 36.53 3hxq h ILE 690 CO -0.13 0.04 0.60 0.58 0.00 0.00 0.00 178.15 179.24 3hxq h VAL 691 N -1.08 0.80 0.54 1.67 2.07 -0.92 -1.18 116.25 118.14 3hxq h VAL 691 Ca -0.05 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3hxq h VAL 691 Cb 0.42 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3hxq h VAL 691 CO 0.08 0.15 -0.26 0.28 0.02 0.00 0.00 177.57 177.84 3hxq h SER 692 N 0.84 -0.62 -0.58 0.57 0.02 -0.82 -1.22 113.55 111.75 3hxq h SER 692 Ca 0.53 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.60 3hxq h SER 692 Cb 0.71 0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.33 3hxq h SER 692 CO -0.33 -0.42 0.14 0.22 -1.14 0.00 0.00 176.83 175.30 3hxq h TYR 693 N -0.76 0.22 0.24 3.45 3.20 -0.90 0.51 116.97 122.93 3hxq h TYR 693 Ca -0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3hxq h TYR 693 Cb 0.57 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3hxq h TYR 693 CO -0.03 -0.01 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.30 3hxq h LEU 694 N 0.27 -0.27 0.10 2.82 3.38 -1.17 -2.49 115.31 117.95 3hxq h LEU 694 Ca 0.30 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3hxq h LEU 694 Cb 0.43 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hxq h LEU 694 CO -0.38 -0.10 -0.05 0.00 0.09 0.00 0.00 178.44 178.01 3hxq n ASP 696 N -5.14 0.00 -0.88 0.00 8.00 0.17 -0.28 116.55 118.42 3hxq n ASP 696 Ca -0.08 0.37 0.11 0.00 0.71 0.00 0.00 54.79 55.89 3hxq n ASP 696 Cb 0.08 -0.39 0.28 0.00 -0.02 0.00 0.00 41.12 41.07 3hxq n ASP 696 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hxq n LEU 697 N -1.39 2.61 -4.61 0.64 4.32 -0.88 -4.92 117.00 112.78 3hxq n LEU 697 Ca 0.01 -1.15 -0.30 0.00 -0.02 0.00 0.00 56.01 54.55 3hxq n LEU 697 Cb 0.03 -0.21 -0.09 0.00 -1.62 0.00 0.00 43.42 41.53 3hxq n LEU 697 CO 0.03 0.57 -0.39 0.00 -1.22 0.00 0.00 177.39 176.38 3hxq s ALA 698 N -1.59 3.06 -0.10 -1.18 0.00 0.62 -4.92 121.76 117.65 3hxq s ALA 698 Ca 0.35 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 3hxq s ALA 698 Cb 0.20 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 3hxq s ALA 698 CO 0.28 0.66 0.97 -2.14 0.00 0.00 0.00 175.76 175.53 3hxq s PRO 699 N -2.19 4.42 -0.08 0.00 0.02 -1.26 -4.84 135.00 131.06 3hxq s PRO 699 Ca 0.22 1.33 -0.30 0.00 0.02 0.00 0.00 61.00 62.27 3hxq s PRO 699 Cb -0.11 -3.54 -0.03 0.00 0.02 0.00 0.00 34.50 30.84 3hxq s PRO 699 CO 0.15 -0.28 1.23 -1.83 -0.33 0.00 0.00 177.00 175.94 3hxq s GLU 700 N 1.90 4.31 0.57 5.54 -1.05 -1.26 -1.31 118.70 127.40 3hxq s GLU 700 Ca 0.47 1.68 -0.18 0.00 -0.15 0.00 0.00 54.97 56.79 3hxq s GLU 700 Cb -0.18 -3.62 -0.08 0.00 -0.44 0.00 0.00 34.13 29.81 3hxq s GLU 700 CO 0.18 -0.53 0.68 0.00 0.95 0.00 0.00 175.26 176.54 3hxq n ALA 701 N 5.62 -0.70 0.00 -0.84 0.00 -1.26 -4.95 120.51 118.37 3hxq n ALA 701 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3hxq n ALA 701 Cb 0.46 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3hxq n ALA 701 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20