#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq0 s PHE 507 N 0.00 1.64 0.29 1.24 0.40 -1.26 -5.09 117.98 115.20 1sq0 s PHE 507 Ca 0.00 -0.80 0.06 0.00 -0.60 0.00 0.00 56.93 55.59 1sq0 s PHE 507 Cb 0.00 -1.28 -0.06 0.00 0.51 0.00 0.00 43.02 42.19 1sq0 s PHE 507 CO 0.00 -0.50 -0.04 0.71 0.70 0.00 0.00 175.22 176.09 1sq0 s TYR 508 N 1.43 2.00 -0.29 0.36 1.51 -1.26 -4.84 117.35 116.25 1sq0 s TYR 508 Ca 0.01 -0.72 -0.28 0.00 -1.01 0.00 0.00 57.07 55.06 1sq0 s TYR 508 Cb -0.13 -1.18 0.20 0.00 -0.11 0.00 0.00 41.96 40.73 1sq0 s TYR 508 CO -0.06 0.26 1.41 0.00 -1.11 0.00 0.00 175.55 176.05 1sq0 s SER 510 N -0.67 4.85 0.17 0.00 0.01 -1.26 -4.45 113.70 112.35 1sq0 s SER 510 Ca 0.09 -0.13 -0.17 0.00 1.31 0.00 0.00 55.95 57.05 1sq0 s SER 510 Cb -0.02 -1.80 0.03 0.00 0.21 0.00 0.00 66.02 64.44 1sq0 s SER 510 CO -0.11 0.15 0.49 -0.13 0.41 0.00 0.00 173.24 174.05 1sq0 s ARG 511 N 0.47 1.28 -0.49 12.44 0.52 -1.26 -2.47 118.95 129.44 1sq0 s ARG 511 Ca -0.03 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.10 1sq0 s ARG 511 Cb -0.14 0.51 0.02 0.00 0.52 0.00 0.00 34.95 35.86 1sq0 s ARG 511 CO 0.03 -0.53 1.27 -0.51 0.02 0.00 0.00 175.30 175.58 1sq0 s LEU 512 N -2.85 3.55 -0.04 2.53 1.43 -0.06 -3.92 118.68 119.32 1sq0 s LEU 512 Ca 0.07 0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 53.48 1sq0 s LEU 512 Cb -0.00 -3.41 0.03 0.00 0.03 0.00 0.00 46.19 42.84 1sq0 s LEU 512 CO -0.06 -1.42 0.39 -0.22 0.23 0.00 0.00 176.35 175.28 1sq0 s LEU 513 N 5.08 0.50 -0.32 1.79 2.96 -0.84 -2.13 118.68 125.72 1sq0 s LEU 513 Ca 0.52 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.78 1sq0 s LEU 513 Cb -0.10 1.53 0.10 0.00 0.50 0.00 0.00 46.19 48.22 1sq0 s LEU 513 CO 0.30 -0.43 0.05 -1.81 -1.32 0.00 0.00 176.35 173.15 1sq0 s ASP 514 N -1.04 4.45 -0.20 3.68 1.01 -0.37 0.14 116.67 124.35 1sq0 s ASP 514 Ca -0.11 -1.90 -0.08 0.00 0.71 0.00 0.00 52.55 51.18 1sq0 s ASP 514 Cb -0.04 -1.35 -0.04 0.00 1.01 0.00 0.00 42.92 42.50 1sq0 s ASP 514 CO 0.05 -0.37 0.07 -0.22 0.21 0.00 0.00 175.17 174.90 1sq0 s LEU 515 N 1.17 3.77 -0.21 1.23 2.96 0.30 -1.44 118.68 126.47 1sq0 s LEU 515 Ca 0.09 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1sq0 s LEU 515 Cb -0.18 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.54 1sq0 s LEU 515 CO -0.13 0.13 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.24 1sq0 s VAL 516 N 0.66 2.96 -0.26 1.68 1.01 0.21 -1.59 120.40 125.08 1sq0 s VAL 516 Ca 0.04 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1sq0 s VAL 516 Cb -0.13 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1sq0 s VAL 516 CO 0.02 0.46 0.55 -0.36 0.00 0.00 0.00 175.10 175.76 1sq0 s PHE 517 N 1.39 3.27 -0.24 5.22 0.08 0.77 -0.68 117.98 127.80 1sq0 s PHE 517 Ca 0.05 0.69 -0.03 0.00 0.12 0.00 0.00 56.93 57.77 1sq0 s PHE 517 Cb -0.14 -2.75 0.01 0.00 -0.57 0.00 0.00 43.02 39.57 1sq0 s PHE 517 CO -0.06 -0.29 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.21 1sq0 s LEU 518 N 2.34 3.09 -0.19 -0.37 1.43 -0.85 0.07 118.68 124.21 1sq0 s LEU 518 Ca 0.23 -0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1sq0 s LEU 518 Cb -0.16 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1sq0 s LEU 518 CO 0.09 -0.09 -0.01 -0.76 0.23 0.00 0.00 176.35 175.81 1sq0 s LEU 519 N 1.38 3.29 0.01 1.79 1.43 0.63 -1.11 118.68 126.11 1sq0 s LEU 519 Ca 0.02 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1sq0 s LEU 519 Cb -0.16 -1.82 -0.08 0.00 0.03 0.00 0.00 46.19 44.16 1sq0 s LEU 519 CO -0.04 0.10 1.81 -0.62 0.23 0.00 0.00 176.35 177.83 1sq0 s ASP 520 N 0.76 6.55 -0.36 2.29 -1.08 -0.93 -1.10 116.67 122.79 1sq0 s ASP 520 Ca -0.00 2.50 0.07 0.00 -0.52 0.00 0.00 52.55 54.59 1sq0 s ASP 520 Cb -0.14 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.36 1sq0 s ASP 520 CO 0.02 -0.98 1.67 0.61 0.52 0.00 0.00 175.17 177.00 1sq0 n GLY 521 N 4.31 4.69 3.94 2.66 0.00 -0.56 -4.88 105.19 115.35 1sq0 n GLY 521 Ca 0.18 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 1sq0 n GLY 521 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sq0 s SER 522 N -1.97 5.74 0.00 1.61 1.04 -1.26 -1.20 113.70 117.65 1sq0 s SER 522 Ca 0.50 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1sq0 s SER 522 Cb 0.44 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1sq0 s SER 522 CO 0.05 -0.83 0.71 -1.54 0.98 0.00 0.00 173.24 172.61 1sq0 n SER 523 N -2.24 0.10 0.04 7.02 3.41 0.14 -2.77 113.62 119.32 1sq0 n SER 523 Ca 0.03 -1.52 0.12 0.00 -0.26 0.00 0.00 58.87 57.24 1sq0 n SER 523 Cb 0.58 -0.05 0.50 0.00 -0.26 0.00 0.00 64.21 64.97 1sq0 n SER 523 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sq0 n ARG 524 N -0.42 0.09 -5.02 4.33 5.12 -1.26 -4.56 116.66 114.93 1sq0 n ARG 524 Ca 0.00 0.14 -0.29 0.00 -1.93 0.00 0.00 57.85 55.77 1sq0 n ARG 524 Cb 0.03 -1.61 -0.16 0.00 -1.16 0.00 0.00 32.46 29.55 1sq0 n ARG 524 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1sq0 s LEU 525 N -3.53 1.97 0.79 0.55 1.43 -1.11 -5.04 118.68 113.73 1sq0 s LEU 525 Ca 0.11 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1sq0 s LEU 525 Cb 0.15 -1.17 0.06 0.00 0.03 0.00 0.00 46.19 45.26 1sq0 s LEU 525 CO 0.49 0.17 1.09 -0.94 0.23 0.00 0.00 176.35 177.38 1sq0 s SER 526 N 0.10 4.54 0.21 2.29 1.04 -1.26 -4.78 113.70 115.84 1sq0 s SER 526 Ca -0.08 1.45 -0.09 0.00 0.48 0.00 0.00 55.95 57.71 1sq0 s SER 526 Cb -0.14 -2.20 0.27 0.00 0.10 0.00 0.00 66.02 64.05 1sq0 s SER 526 CO 0.04 -1.96 1.79 -0.08 0.98 0.00 0.00 173.24 174.02 1sq0 h GLU 527 N -1.08 0.60 -0.80 4.02 4.81 -1.96 0.13 114.58 120.30 1sq0 h GLU 527 Ca -0.46 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1sq0 h GLU 527 Cb 1.25 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 1sq0 h GLU 527 CO 0.57 0.40 0.41 0.00 -0.73 0.00 0.00 179.01 179.66 1sq0 h ALA 528 N 1.38 1.03 -0.55 2.92 0.00 -2.00 -1.56 119.26 120.48 1sq0 h ALA 528 Ca 0.31 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1sq0 h ALA 528 Cb 0.27 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1sq0 h ALA 528 CO -0.22 0.57 0.05 0.93 0.00 0.00 0.00 179.25 180.58 1sq0 h GLU 529 N 1.13 0.91 -0.37 0.00 5.08 -1.57 -2.30 114.58 117.45 1sq0 h GLU 529 Ca 0.28 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1sq0 h GLU 529 Cb 0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1sq0 h GLU 529 CO -0.04 0.87 0.13 0.35 -1.00 0.00 0.00 179.01 179.32 1sq0 h PHE 530 N 0.85 0.53 0.00 4.33 3.57 -0.12 -0.33 116.94 125.76 1sq0 h PHE 530 Ca 0.17 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1sq0 h PHE 530 Cb 0.43 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1sq0 h PHE 530 CO 0.03 0.43 -0.28 1.49 -2.23 0.00 0.00 178.31 177.75 1sq0 h GLU 531 N 0.53 0.00 0.05 1.11 4.57 -0.74 -0.99 114.58 119.11 1sq0 h GLU 531 Ca 0.13 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.03 1sq0 h GLU 531 Cb 0.14 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1sq0 h GLU 531 CO -0.01 0.28 -1.12 0.28 -1.18 0.00 0.00 179.01 177.26 1sq0 h VAL 532 N 0.00 1.29 -0.75 0.32 2.07 -0.83 -2.54 116.25 115.82 1sq0 h VAL 532 Ca -0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1sq0 h VAL 532 Cb 0.58 2.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 1sq0 h VAL 532 CO 0.04 0.72 0.47 0.25 0.02 0.00 0.00 177.57 179.07 1sq0 h LEU 533 N 0.33 0.88 -0.82 2.57 5.85 -0.64 -1.06 115.31 122.42 1sq0 h LEU 533 Ca -0.15 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 1sq0 h LEU 533 Cb 1.78 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1sq0 h LEU 533 CO 0.22 0.67 -0.26 0.11 -0.34 0.00 0.00 178.44 178.84 1sq0 h LYS 534 N 1.01 0.59 -0.28 1.25 1.57 -1.23 -2.33 116.57 117.14 1sq0 h LYS 534 Ca 0.27 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1sq0 h LYS 534 Cb -0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1sq0 h LYS 534 CO -0.05 0.79 -0.11 0.00 -0.57 0.00 0.00 179.45 179.51 1sq0 h ALA 535 N 1.21 1.29 -0.62 3.86 0.00 -0.96 -1.80 119.26 122.23 1sq0 h ALA 535 Ca 0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1sq0 h ALA 535 Cb 0.71 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1sq0 h ALA 535 CO 0.05 0.47 0.06 0.35 0.00 0.00 0.00 179.25 180.19 1sq0 h PHE 536 N 0.44 1.13 -0.60 0.00 3.57 -0.73 -2.24 116.94 118.50 1sq0 h PHE 536 Ca 0.08 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1sq0 h PHE 536 Cb 0.46 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1sq0 h PHE 536 CO 0.01 0.97 0.33 0.28 -2.23 0.00 0.00 178.31 177.68 1sq0 h VAL 537 N 0.96 1.19 0.01 1.41 2.07 -0.85 -0.93 116.25 120.11 1sq0 h VAL 537 Ca 0.18 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1sq0 h VAL 537 Cb 0.48 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1sq0 h VAL 537 CO 0.02 0.21 -0.01 0.58 0.02 0.00 0.00 177.57 178.39 1sq0 h VAL 538 N 0.82 0.98 -0.61 2.57 2.07 -1.13 -0.97 116.25 119.96 1sq0 h VAL 538 Ca 0.21 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.81 1sq0 h VAL 538 Cb 0.03 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1sq0 h VAL 538 CO -0.03 0.00 0.28 0.44 0.02 0.00 0.00 177.57 178.28 1sq0 h ASP 539 N -0.03 0.36 -0.66 0.57 3.32 -1.19 -1.25 116.42 117.54 1sq0 h ASP 539 Ca 0.00 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.17 1sq0 h ASP 539 Cb 0.02 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1sq0 h ASP 539 CO -0.00 0.23 0.36 0.24 -1.72 0.00 0.00 179.24 178.34 1sq0 h MET 540 N 0.51 0.64 -0.94 3.56 2.86 -0.73 0.11 114.93 120.94 1sq0 h MET 540 Ca 0.29 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.93 1sq0 h MET 540 Cb 0.28 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1sq0 h MET 540 CO -0.24 0.42 0.61 0.52 1.06 0.00 0.00 176.91 179.29 1sq0 h MET 541 N 0.66 1.16 -0.21 1.72 2.86 -0.03 -1.19 114.93 119.90 1sq0 h MET 541 Ca 0.30 -0.07 -0.16 0.00 -2.06 0.00 0.00 59.70 57.72 1sq0 h MET 541 Cb 0.21 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1sq0 h MET 541 CO -0.20 0.77 -0.48 0.93 1.06 0.00 0.00 176.91 178.99 1sq0 h GLU 542 N 1.19 0.70 -0.94 1.72 5.08 -0.71 -1.80 114.58 119.81 1sq0 h GLU 542 Ca 0.37 -0.47 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1sq0 h GLU 542 Cb -0.00 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1sq0 h GLU 542 CO -0.12 1.09 0.62 0.00 -1.00 0.00 0.00 179.01 179.60 1sq0 h ARG 543 N 0.41 1.22 -0.00 2.33 2.47 -0.38 -1.36 114.38 119.06 1sq0 h ARG 543 Ca 0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1sq0 h ARG 543 Cb 1.09 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 1sq0 h ARG 543 CO 0.10 0.81 -0.19 1.28 0.56 0.00 0.00 179.97 182.53 1sq0 n LEU 544 N -4.44 0.37 -3.06 3.04 4.32 -0.49 -2.58 117.00 114.16 1sq0 n LEU 544 Ca 0.11 0.13 -0.01 0.00 -0.02 0.00 0.00 56.01 56.22 1sq0 n LEU 544 Cb 0.03 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 1sq0 n LEU 544 CO 0.36 0.08 0.32 0.54 -1.22 0.00 0.00 177.39 177.47 1sq0 n ARG 545 N -1.24 -1.39 0.00 3.23 1.74 -0.51 -4.65 116.66 113.84 1sq0 n ARG 545 Ca 0.10 1.53 0.08 0.00 -0.77 0.00 0.00 57.85 58.79 1sq0 n ARG 545 Cb 0.31 -5.72 0.41 0.00 -1.02 0.00 0.00 32.46 26.44 1sq0 n ARG 545 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1sq0 n ILE 546 N -1.69 0.51 0.29 0.55 -5.35 -0.90 -2.37 119.36 110.40 1sq0 n ILE 546 Ca 0.00 0.13 0.17 0.00 -0.27 0.00 0.00 62.75 62.78 1sq0 n ILE 546 Cb 0.50 -0.86 0.87 0.00 -1.74 0.00 0.00 39.64 38.40 1sq0 n ILE 546 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1sq0 h SER 547 N 0.00 0.00 -2.90 7.28 0.02 -1.89 -3.42 113.55 112.64 1sq0 h SER 547 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1sq0 h SER 547 Cb 0.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1sq0 h SER 547 CO 0.00 0.06 -0.34 -1.10 -1.14 0.00 0.00 176.83 174.30 1sq0 s GLN 548 N -4.10 3.53 0.00 3.45 1.11 -1.00 -4.97 119.66 117.68 1sq0 s GLN 548 Ca -0.03 -0.31 0.11 0.00 0.01 0.00 0.00 55.36 55.14 1sq0 s GLN 548 Cb 0.12 -2.86 0.63 0.00 -1.01 0.00 0.00 33.01 29.90 1sq0 s GLN 548 CO 0.53 0.43 1.18 1.63 0.01 0.00 0.00 175.29 179.06 1sq0 n LYS 549 N -0.47 0.70 -0.03 2.91 4.01 -1.26 -3.26 118.16 120.76 1sq0 n LYS 549 Ca -0.04 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.61 1sq0 n LYS 549 Cb 0.53 -1.24 -0.11 0.00 -0.51 0.00 0.00 35.03 33.71 1sq0 n LYS 549 CO 0.00 0.00 0.00 -1.49 -1.11 0.00 0.00 177.40 174.80 1sq0 h TRP 550 N 0.00 0.24 -3.08 2.13 -0.00 -1.89 -3.45 115.95 109.90 1sq0 h TRP 550 Ca 0.00 -0.11 -0.63 0.00 -0.00 0.00 0.00 58.89 58.14 1sq0 h TRP 550 Cb 0.00 -0.03 -0.12 0.00 -0.00 0.00 0.00 29.16 29.01 1sq0 h TRP 550 CO 0.00 0.86 -0.51 0.08 -0.00 0.00 0.00 178.44 178.87 1sq0 s VAL 551 N -3.38 5.21 -0.09 1.49 1.01 -1.20 -1.98 120.40 121.47 1sq0 s VAL 551 Ca -0.16 0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1sq0 s VAL 551 Cb 0.01 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1sq0 s VAL 551 CO 0.73 0.51 -0.13 -0.13 0.00 0.00 0.00 175.10 176.09 1sq0 s ARG 552 N -0.17 2.92 0.28 2.72 0.52 0.12 -4.80 118.95 120.55 1sq0 s ARG 552 Ca 0.09 -0.68 0.11 0.00 -0.52 0.00 0.00 55.73 54.74 1sq0 s ARG 552 Cb -0.12 -2.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 1sq0 s ARG 552 CO 0.01 0.45 -0.13 0.14 0.02 0.00 0.00 175.30 175.78 1sq0 s VAL 553 N -0.26 2.70 -0.07 3.52 -7.23 -1.26 -0.54 120.40 117.26 1sq0 s VAL 553 Ca 0.02 -2.25 -0.14 0.00 -1.81 0.00 0.00 61.98 57.80 1sq0 s VAL 553 Cb -0.13 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.36 1sq0 s VAL 553 CO 0.03 -0.37 0.33 0.00 -0.31 0.00 0.00 175.10 174.78 1sq0 s ALA 554 N -2.47 -0.83 -0.06 1.32 0.00 -0.62 -3.32 121.76 115.77 1sq0 s ALA 554 Ca 0.31 0.65 -0.00 0.00 0.00 0.00 0.00 51.96 52.91 1sq0 s ALA 554 Cb -0.05 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1sq0 s ALA 554 CO 0.17 -0.22 -0.03 0.08 0.00 0.00 0.00 175.76 175.76 1sq0 s VAL 555 N -0.62 0.49 -0.05 0.00 1.01 -0.58 -0.16 120.40 120.49 1sq0 s VAL 555 Ca -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1sq0 s VAL 555 Cb -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1sq0 s VAL 555 CO 0.03 0.25 -0.06 -0.69 0.00 0.00 0.00 175.10 174.62 1sq0 s VAL 556 N 1.46 0.67 -0.11 2.92 1.01 0.11 -1.15 120.40 125.30 1sq0 s VAL 556 Ca -0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1sq0 s VAL 556 Cb -0.13 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1sq0 s VAL 556 CO -0.03 0.25 0.11 -0.70 0.00 0.00 0.00 175.10 174.73 1sq0 s GLU 557 N 0.79 3.33 -0.05 2.72 -6.30 0.15 -0.27 118.70 119.08 1sq0 s GLU 557 Ca -0.12 -0.20 -0.00 0.00 -2.50 0.00 0.00 54.97 52.15 1sq0 s GLU 557 Cb -0.14 -3.09 0.03 0.00 0.00 0.00 0.00 34.13 30.92 1sq0 s GLU 557 CO 0.01 0.76 -0.01 1.52 0.02 0.00 0.00 175.26 177.56 1sq0 s TYR 558 N -1.00 0.54 0.00 5.30 1.13 -0.26 0.87 117.35 123.93 1sq0 s TYR 558 Ca 0.15 -0.10 0.00 0.00 -1.41 0.00 0.00 57.07 55.71 1sq0 s TYR 558 Cb -0.12 -0.62 0.00 0.00 -1.10 0.00 0.00 41.96 40.12 1sq0 s TYR 558 CO 0.04 -0.22 0.00 -2.39 -2.51 0.00 0.00 175.55 170.47 1sq0 n HIS 559 N 4.55 0.00 0.10 -3.49 1.44 -1.26 -1.50 115.22 115.05 1sq0 n HIS 559 Ca -0.18 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.38 1sq0 n HIS 559 Cb 0.50 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.49 1sq0 n HIS 559 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 1sq0 h ASP 560 N 0.00 0.45 -1.74 4.39 3.32 -1.93 -0.60 116.42 120.30 1sq0 h ASP 560 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1sq0 h ASP 560 Cb 0.00 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1sq0 h ASP 560 CO 0.00 1.34 0.00 0.61 -1.72 0.00 0.00 179.24 179.47 1sq0 n GLY 561 N 1.43 6.06 3.31 2.75 0.00 -1.26 -4.80 105.19 112.67 1sq0 n GLY 561 Ca -0.08 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 1sq0 n GLY 561 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sq0 s SER 562 N 0.13 3.61 -0.29 1.61 0.01 -1.26 -4.37 113.70 113.12 1sq0 s SER 562 Ca 0.00 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.87 1sq0 s SER 562 Cb 0.00 -1.48 0.07 0.00 0.21 0.00 0.00 66.02 64.83 1sq0 s SER 562 CO 0.00 0.17 -0.04 -1.00 0.41 0.00 0.00 173.24 172.78 1sq0 s HIS 563 N 0.29 3.45 -0.30 2.43 3.76 0.25 -4.96 115.29 120.22 1sq0 s HIS 563 Ca -0.13 -2.53 -0.17 0.00 -0.15 0.00 0.00 55.06 52.08 1sq0 s HIS 563 Cb -0.16 -2.31 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 1sq0 s HIS 563 CO 0.07 -0.90 0.45 0.00 -0.85 0.00 0.00 174.74 173.51 1sq0 s ALA 564 N 1.04 3.54 -0.04 -1.40 0.00 -1.26 0.33 121.76 123.97 1sq0 s ALA 564 Ca -0.02 -0.85 0.21 0.00 0.00 0.00 0.00 51.96 51.31 1sq0 s ALA 564 Cb -0.20 -2.86 -0.32 0.00 0.00 0.00 0.00 23.12 19.74 1sq0 s ALA 564 CO -0.06 -0.88 0.44 0.66 0.00 0.00 0.00 175.76 175.92 1sq0 n TYR 565 N 5.52 0.00 -3.76 0.00 4.02 -0.30 -4.92 117.16 117.71 1sq0 n TYR 565 Ca -0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.69 1sq0 n TYR 565 Cb 0.50 -0.53 -0.15 0.00 -0.02 0.00 0.00 39.34 39.14 1sq0 n TYR 565 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1sq0 s ILE 566 N -3.40 -0.05 0.15 -0.72 1.01 -1.20 -4.96 121.20 112.03 1sq0 s ILE 566 Ca -0.08 0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1sq0 s ILE 566 Cb 0.13 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.39 1sq0 s ILE 566 CO 0.88 0.08 0.14 -0.83 0.00 0.00 0.00 174.94 175.21 1sq0 s GLY 567 N 1.14 1.77 0.20 6.18 0.00 -1.26 -1.53 107.32 113.81 1sq0 s GLY 567 Ca -0.09 -1.17 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 1sq0 s GLY 567 CO -0.05 -1.17 1.76 1.41 0.00 0.00 0.00 173.10 175.05 1sq0 h LEU 568 N 2.54 0.29 -1.15 0.66 3.38 -1.94 -1.97 115.31 117.11 1sq0 h LEU 568 Ca -0.48 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1sq0 h LEU 568 Cb 1.19 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1sq0 h LEU 568 CO 0.64 0.18 0.00 2.29 0.09 0.00 0.00 178.44 181.64 1sq0 n LYS 569 N -4.95 1.76 -2.24 1.13 0.00 -1.26 -4.60 118.16 107.99 1sq0 n LYS 569 Ca 0.08 -0.95 -0.42 0.00 -0.00 0.00 0.00 58.31 57.02 1sq0 n LYS 569 Cb 0.24 -1.33 -0.03 0.00 -0.00 0.00 0.00 35.03 33.91 1sq0 n LYS 569 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1sq0 s ASP 570 N -0.83 6.90 -0.76 -5.58 1.11 -0.74 -4.96 116.67 111.81 1sq0 s ASP 570 Ca 0.17 2.22 -0.08 0.00 0.18 0.00 0.00 52.55 55.04 1sq0 s ASP 570 Cb 0.10 -2.58 0.20 0.00 1.07 0.00 0.00 42.92 41.71 1sq0 s ASP 570 CO 0.10 -0.61 0.64 -0.13 1.18 0.00 0.00 175.17 176.35 1sq0 s ARG 571 N 1.26 3.15 0.06 8.23 0.52 -1.26 -4.96 118.95 125.94 1sq0 s ARG 571 Ca 0.63 -2.59 0.02 0.00 -0.52 0.00 0.00 55.73 53.27 1sq0 s ARG 571 Cb -0.34 -4.09 -0.03 0.00 0.52 0.00 0.00 34.95 31.00 1sq0 s ARG 571 CO 0.29 -1.24 -0.06 0.15 0.02 0.00 0.00 175.30 174.46 1sq0 s LYS 572 N -0.11 0.61 0.57 3.54 1.02 -1.26 -5.15 119.74 118.95 1sq0 s LYS 572 Ca 0.19 -0.96 -0.16 0.00 0.02 0.00 0.00 55.97 55.06 1sq0 s LYS 572 Cb -0.14 -0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 36.94 1sq0 s LYS 572 CO -0.07 0.00 1.04 -0.98 -0.92 0.00 0.00 175.35 174.42 1sq0 s ARG 573 N -2.46 3.52 0.19 1.68 1.70 -1.26 -4.82 118.95 117.50 1sq0 s ARG 573 Ca -0.02 1.13 -0.22 0.00 -0.47 0.00 0.00 55.73 56.15 1sq0 s ARG 573 Cb -0.04 -2.07 0.10 0.00 -0.57 0.00 0.00 34.95 32.38 1sq0 s ARG 573 CO -0.02 -0.64 1.46 -2.30 -1.08 0.00 0.00 175.30 172.72 1sq0 n PRO 574 N -1.86 -0.30 -0.25 3.89 -0.02 -1.26 -0.62 135.00 134.57 1sq0 n PRO 574 Ca 0.08 1.44 0.16 0.00 -2.02 0.00 0.00 63.50 63.16 1sq0 n PRO 574 Cb 0.53 -2.13 0.45 0.00 -0.02 0.00 0.00 33.50 32.33 1sq0 n PRO 574 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1sq0 h SER 575 N 0.00 0.53 -0.25 2.55 4.64 -1.99 0.00 113.55 119.03 1sq0 h SER 575 Ca 0.25 0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.46 1sq0 h SER 575 Cb 0.49 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1sq0 h SER 575 CO -0.91 0.24 -0.47 -0.08 -0.87 0.00 0.00 176.83 174.73 1sq0 h GLU 576 N 0.54 0.76 -0.39 4.77 4.22 -1.23 -2.74 114.58 120.51 1sq0 h GLU 576 Ca 0.46 -0.48 -0.06 0.00 0.08 0.00 0.00 59.36 59.36 1sq0 h GLU 576 Cb 0.95 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1sq0 h GLU 576 CO -0.20 1.11 0.00 -0.07 -2.18 0.00 0.00 179.01 177.67 1sq0 h LEU 577 N 0.49 0.68 -1.36 1.64 3.38 -0.72 -2.25 115.31 117.17 1sq0 h LEU 577 Ca 0.01 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.72 1sq0 h LEU 577 Cb 1.08 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1sq0 h LEU 577 CO 0.11 0.82 0.46 0.03 0.09 0.00 0.00 178.44 179.94 1sq0 h ARG 578 N 0.52 0.80 0.71 1.13 3.08 -1.07 -1.08 114.38 118.46 1sq0 h ARG 578 Ca 0.11 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1sq0 h ARG 578 Cb 0.47 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.35 1sq0 h ARG 578 CO 0.02 0.53 -0.34 0.00 -1.07 0.00 0.00 179.97 179.11 1sq0 h ARG 579 N 0.82 -0.92 -0.46 0.04 3.08 -1.18 -1.06 114.38 114.70 1sq0 h ARG 579 Ca 0.28 0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.49 1sq0 h ARG 579 Cb 0.10 0.21 -0.10 0.00 0.08 0.00 0.00 29.97 30.27 1sq0 h ARG 579 CO -0.08 -0.59 -0.24 0.82 -1.07 0.00 0.00 179.97 178.81 1sq0 h ILE 580 N -1.10 0.33 -0.60 2.04 2.04 -1.08 0.90 117.51 120.05 1sq0 h ILE 580 Ca -0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.87 1sq0 h ILE 580 Cb 0.76 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 1sq0 h ILE 580 CO 0.16 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.46 1sq0 h ALA 581 N 1.11 0.73 0.00 1.87 0.00 -1.16 0.65 119.26 122.46 1sq0 h ALA 581 Ca 0.21 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1sq0 h ALA 581 Cb 0.48 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1sq0 h ALA 581 CO -0.54 -0.28 -0.12 0.77 0.00 0.00 0.00 179.25 179.07 1sq0 h SER 582 N 0.29 0.00 0.12 0.00 0.02 0.35 -2.84 113.55 111.50 1sq0 h SER 582 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1sq0 h SER 582 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1sq0 h SER 582 CO -0.37 0.12 -0.31 1.67 -1.14 0.00 0.00 176.83 176.80 1sq0 n GLN 583 N -3.43 1.07 -1.61 3.45 -0.06 0.13 -4.95 117.38 111.98 1sq0 n GLN 583 Ca -0.01 -0.75 -0.54 0.00 -2.00 0.00 0.00 57.00 53.71 1sq0 n GLN 583 Cb 0.29 -1.48 -0.06 0.00 -4.06 0.00 0.00 30.24 24.93 1sq0 n GLN 583 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1sq0 n VAL 584 N -0.31 0.07 -2.58 1.69 0.31 -0.67 -4.87 118.33 111.96 1sq0 n VAL 584 Ca 0.12 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 64.03 1sq0 n VAL 584 Cb 0.40 -0.88 -0.05 0.00 -0.91 0.00 0.00 33.84 32.41 1sq0 n VAL 584 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1sq0 s LYS 585 N 1.13 4.71 0.14 5.55 2.20 -1.26 -5.02 119.74 127.19 1sq0 s LYS 585 Ca 0.88 1.67 -0.30 0.00 -0.36 0.00 0.00 55.97 57.86 1sq0 s LYS 585 Cb -0.99 -3.24 -0.07 0.00 -1.51 0.00 0.00 37.83 32.02 1sq0 s LYS 585 CO 0.51 0.29 1.11 -0.47 -0.36 0.00 0.00 175.35 176.44 1sq0 s TYR 586 N -0.97 3.57 -0.22 4.03 5.04 -1.26 -4.94 117.35 122.60 1sq0 s TYR 586 Ca 0.44 1.54 0.02 0.00 -2.44 0.00 0.00 57.07 56.63 1sq0 s TYR 586 Cb -0.29 -3.29 -0.15 0.00 0.35 0.00 0.00 41.96 38.58 1sq0 s TYR 586 CO 0.37 -0.70 -0.19 0.00 -1.34 0.00 0.00 175.55 173.68 1sq0 n ALA 587 N 2.83 1.53 -2.46 3.97 0.00 -1.26 -5.00 120.51 120.12 1sq0 n ALA 587 Ca 0.04 -0.94 -0.20 0.00 0.00 0.00 0.00 53.44 52.34 1sq0 n ALA 587 Cb 0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 1sq0 n ALA 587 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sq0 n GLY 588 N 2.44 -0.50 3.78 0.00 0.00 -1.11 -4.94 105.19 104.86 1sq0 n GLY 588 Ca -0.39 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1sq0 n GLY 588 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sq0 s SER 589 N -2.10 5.54 0.16 1.61 0.15 -0.34 -3.90 113.70 114.82 1sq0 s SER 589 Ca 0.02 1.99 -0.12 0.00 0.70 0.00 0.00 55.95 58.54 1sq0 s SER 589 Cb -0.01 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.80 1sq0 s SER 589 CO 0.03 -1.34 1.66 1.56 1.20 0.00 0.00 173.24 176.36 1sq0 h GLN 590 N 0.55 0.91 -6.44 5.44 1.08 -1.92 0.40 115.11 115.14 1sq0 h GLN 590 Ca -0.48 -0.24 -0.69 0.00 -1.45 0.00 0.00 58.65 55.80 1sq0 h GLN 590 Cb 1.24 -0.11 -0.24 0.00 -0.05 0.00 0.00 27.48 28.32 1sq0 h GLN 590 CO 0.56 0.87 -0.79 0.08 -0.95 0.00 0.00 178.83 178.60 1sq0 s VAL 591 N -5.24 2.87 -0.34 -0.54 1.01 -1.26 -4.75 120.40 112.15 1sq0 s VAL 591 Ca -0.12 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1sq0 s VAL 591 Cb 0.12 -2.14 0.13 0.00 0.00 0.00 0.00 36.38 34.50 1sq0 s VAL 591 CO 0.82 0.51 0.19 0.00 0.00 0.00 0.00 175.10 176.61 1sq0 s ALA 592 N -0.78 0.98 -0.51 5.51 0.00 -1.25 -3.25 121.76 122.46 1sq0 s ALA 592 Ca 0.12 -1.73 -0.28 0.00 0.00 0.00 0.00 51.96 50.07 1sq0 s ALA 592 Cb -0.10 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.47 1sq0 s ALA 592 CO 0.02 -1.98 1.13 0.45 0.00 0.00 0.00 175.76 175.38 1sq0 s SER 593 N 1.27 6.56 0.41 0.00 0.15 -0.23 -4.28 113.70 117.59 1sq0 s SER 593 Ca 0.16 0.31 0.21 0.00 0.70 0.00 0.00 55.95 57.33 1sq0 s SER 593 Cb -0.21 -2.54 0.84 0.00 -1.71 0.00 0.00 66.02 62.40 1sq0 s SER 593 CO -0.09 -1.30 1.80 0.71 1.20 0.00 0.00 173.24 175.56 1sq0 h THR 594 N 6.20 0.75 0.00 6.45 1.35 -1.95 -2.58 112.91 123.13 1sq0 h THR 594 Ca -0.24 -1.27 -0.14 0.00 -0.55 0.00 0.00 66.41 64.22 1sq0 h THR 594 Cb 1.06 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 1sq0 h THR 594 CO 1.14 0.29 -0.67 0.28 -0.25 0.00 0.00 175.52 176.31 1sq0 h SER 595 N 0.00 0.00 0.09 5.36 0.02 -1.90 -1.97 113.55 115.15 1sq0 h SER 595 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1sq0 h SER 595 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1sq0 h SER 595 CO 0.04 0.67 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.02 1sq0 h GLU 596 N 0.00 -0.12 -0.94 3.45 4.39 -1.81 -0.74 114.58 118.81 1sq0 h GLU 596 Ca -0.01 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1sq0 h GLU 596 Cb 1.22 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.85 1sq0 h GLU 596 CO 0.09 0.39 0.62 -0.24 -1.16 0.00 0.00 179.01 178.71 1sq0 h VAL 597 N -0.74 1.24 -0.24 3.13 3.04 -1.52 0.15 116.25 121.31 1sq0 h VAL 597 Ca -0.01 -0.44 -0.04 0.00 -1.01 0.00 0.00 66.70 65.20 1sq0 h VAL 597 Cb 0.57 -0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 1sq0 h VAL 597 CO 0.02 0.23 0.01 -0.07 -1.01 0.00 0.00 177.57 176.75 1sq0 h LEU 598 N 1.28 0.41 -0.97 3.16 3.38 -1.38 0.26 115.31 121.44 1sq0 h LEU 598 Ca 0.34 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1sq0 h LEU 598 Cb -0.14 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.42 1sq0 h LEU 598 CO -0.07 0.61 0.61 0.50 0.09 0.00 0.00 178.44 180.18 1sq0 h LYS 599 N 0.20 0.99 -0.35 1.13 3.64 -0.47 -0.05 116.57 121.66 1sq0 h LYS 599 Ca 0.07 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1sq0 h LYS 599 Cb 0.40 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1sq0 h LYS 599 CO 0.01 0.65 0.04 -0.92 -2.27 0.00 0.00 179.45 176.96 1sq0 h TYR 600 N 1.02 0.64 -0.39 1.91 3.20 -0.23 -2.21 116.97 120.91 1sq0 h TYR 600 Ca 0.46 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 62.25 1sq0 h TYR 600 Cb 0.37 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1sq0 h TYR 600 CO -0.01 0.67 0.23 1.15 -1.64 0.00 0.00 178.16 178.56 1sq0 h THR 601 N 0.42 1.05 0.22 1.81 2.02 0.71 0.81 112.91 119.96 1sq0 h THR 601 Ca 0.10 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1sq0 h THR 601 Cb 0.39 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1sq0 h THR 601 CO 0.01 0.09 -0.11 0.25 0.37 0.00 0.00 175.52 176.13 1sq0 h LEU 602 N 0.47 -0.25 0.19 2.58 5.85 -0.97 -0.31 115.31 122.87 1sq0 h LEU 602 Ca 0.15 -0.02 -0.35 0.00 0.84 0.00 0.00 57.88 58.51 1sq0 h LEU 602 Cb -0.00 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.10 1sq0 h LEU 602 CO -0.06 -0.15 -1.72 -0.26 -0.34 0.00 0.00 178.44 175.90 1sq0 h PHE 603 N -0.33 0.73 0.00 1.25 0.04 -1.38 -3.04 116.94 114.21 1sq0 h PHE 603 Ca -0.03 -0.53 0.00 0.00 2.80 0.00 0.00 57.97 60.21 1sq0 h PHE 603 Cb 0.25 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1sq0 h PHE 603 CO -0.05 1.67 -0.92 1.04 -0.60 0.00 0.00 178.31 179.45 1sq0 n GLN 604 N -3.62 0.12 0.01 1.51 1.13 0.27 -4.21 117.38 112.60 1sq0 n GLN 604 Ca -0.24 -0.01 -0.02 0.00 -1.94 0.00 0.00 57.00 54.78 1sq0 n GLN 604 Cb 1.07 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 29.88 1sq0 n GLN 604 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1sq0 n ILE 605 N -1.68 0.69 -1.34 5.09 5.41 -0.88 -4.81 119.36 121.83 1sq0 n ILE 605 Ca 0.03 0.16 -0.24 0.00 1.00 0.00 0.00 62.75 63.70 1sq0 n ILE 605 Cb 0.38 -1.60 0.14 0.00 -0.71 0.00 0.00 39.64 37.85 1sq0 n ILE 605 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1sq0 n PHE 606 N -3.36 2.81 -0.27 1.39 0.99 -0.18 -4.68 117.46 114.16 1sq0 n PHE 606 Ca -0.04 -2.20 -0.01 0.00 -0.00 0.00 0.00 57.45 55.20 1sq0 n PHE 606 Cb 0.31 -1.00 0.11 0.00 -1.00 0.00 0.00 39.48 37.90 1sq0 n PHE 606 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1sq0 h SER 607 N 1.37 0.70 -2.15 4.37 4.64 -1.70 -3.45 113.55 117.33 1sq0 h SER 607 Ca 0.55 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1sq0 h SER 607 Cb 1.99 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1sq0 h SER 607 CO 1.13 0.45 0.00 2.29 -0.87 0.00 0.00 176.83 179.84 1sq0 n LYS 608 N -4.70 2.85 -3.03 4.77 -0.00 -1.26 -5.06 118.16 111.73 1sq0 n LYS 608 Ca 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.24 1sq0 n LYS 608 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.18 1sq0 n LYS 608 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1sq0 n ILE 609 N -0.15 -0.35 1.11 0.58 5.41 -1.26 -4.96 119.36 119.75 1sq0 n ILE 609 Ca 0.00 -3.19 0.00 0.00 1.00 0.00 0.00 62.75 60.56 1sq0 n ILE 609 Cb 0.00 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 1sq0 n ILE 609 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1sq0 n ASP 610 N 1.16 0.32 -2.79 4.38 3.85 -1.26 -3.71 116.55 118.50 1sq0 n ASP 610 Ca 0.17 -1.43 -0.10 0.00 -0.71 0.00 0.00 54.79 52.72 1sq0 n ASP 610 Cb 0.60 -0.16 0.05 0.00 -1.35 0.00 0.00 41.12 40.26 1sq0 n ASP 610 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1sq0 n ARG 611 N -0.21 0.85 0.00 0.11 1.74 -1.26 -4.98 116.66 112.91 1sq0 n ARG 611 Ca 0.00 -1.96 0.00 0.00 -0.77 0.00 0.00 57.85 55.13 1sq0 n ARG 611 Cb 0.08 -1.33 0.02 0.00 -1.02 0.00 0.00 32.46 30.20 1sq0 n ARG 611 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1sq0 n PRO 612 N 1.21 0.46 -0.12 5.56 -0.04 -1.24 -2.72 135.00 138.11 1sq0 n PRO 612 Ca 0.10 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 1sq0 n PRO 612 Cb 0.64 -1.02 -0.12 0.00 -0.04 0.00 0.00 33.50 32.97 1sq0 n PRO 612 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1sq0 n GLU 613 N -0.52 0.66 -2.19 0.54 1.02 -1.26 -5.00 120.64 113.89 1sq0 n GLU 613 Ca 0.00 0.11 -0.31 0.00 -0.02 0.00 0.00 57.16 56.95 1sq0 n GLU 613 Cb 0.00 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 1sq0 n GLU 613 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sq0 s ALA 614 N -2.47 3.16 0.49 0.62 0.00 -1.10 -4.78 121.76 117.67 1sq0 s ALA 614 Ca -0.28 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 1sq0 s ALA 614 Cb 0.08 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 20.13 1sq0 s ALA 614 CO 0.59 -0.47 0.95 -1.12 0.00 0.00 0.00 175.76 175.71 1sq0 s SER 615 N -3.81 6.62 -0.23 0.00 0.01 -0.91 -4.89 113.70 110.50 1sq0 s SER 615 Ca 0.55 1.51 0.02 0.00 1.31 0.00 0.00 55.95 59.33 1sq0 s SER 615 Cb -0.11 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.69 1sq0 s SER 615 CO 0.45 -0.55 -0.12 -0.13 0.41 0.00 0.00 173.24 173.30 1sq0 s ARG 616 N -4.00 2.28 -0.07 12.44 0.52 -1.26 -1.23 118.95 127.63 1sq0 s ARG 616 Ca 0.58 -1.10 0.03 0.00 -0.52 0.00 0.00 55.73 54.72 1sq0 s ARG 616 Cb -0.10 -2.69 0.01 0.00 0.52 0.00 0.00 34.95 32.69 1sq0 s ARG 616 CO 0.31 -0.47 -0.15 0.42 0.02 0.00 0.00 175.30 175.43 1sq0 s ILE 617 N 1.23 1.35 -0.27 1.52 1.01 -0.52 -0.55 121.20 124.97 1sq0 s ILE 617 Ca -0.04 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1sq0 s ILE 617 Cb -0.18 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.10 1sq0 s ILE 617 CO -0.07 0.40 0.01 0.00 0.00 0.00 0.00 174.94 175.28 1sq0 s ALA 618 N 0.55 2.90 -0.69 9.38 0.00 -0.09 -0.62 121.76 133.19 1sq0 s ALA 618 Ca -0.15 -1.45 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 1sq0 s ALA 618 Cb -0.16 -1.94 0.13 0.00 0.00 0.00 0.00 23.12 21.15 1sq0 s ALA 618 CO 0.05 -0.87 0.80 -1.17 0.00 0.00 0.00 175.76 174.57 1sq0 s LEU 619 N 1.42 5.55 -0.90 0.00 2.96 0.15 -1.33 118.68 126.53 1sq0 s LEU 619 Ca 0.01 -1.75 -0.21 0.00 -0.22 0.00 0.00 54.13 51.96 1sq0 s LEU 619 Cb -0.17 -2.31 0.09 0.00 0.50 0.00 0.00 46.19 44.30 1sq0 s LEU 619 CO -0.01 -1.02 1.21 -0.22 -1.32 0.00 0.00 176.35 175.00 1sq0 s LEU 620 N 2.28 4.29 -0.63 -0.68 2.96 -0.96 -2.00 118.68 123.95 1sq0 s LEU 620 Ca 0.17 -1.55 -0.28 0.00 -0.22 0.00 0.00 54.13 52.25 1sq0 s LEU 620 Cb -0.18 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.06 1sq0 s LEU 620 CO 0.01 -1.33 1.33 -0.76 -1.32 0.00 0.00 176.35 174.27 1sq0 s LEU 621 N 3.90 3.33 -0.05 -0.68 1.43 -0.27 -2.20 118.68 124.14 1sq0 s LEU 621 Ca 0.35 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1sq0 s LEU 621 Cb -0.06 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 1sq0 s LEU 621 CO -0.04 -1.72 -0.14 0.00 0.23 0.00 0.00 176.35 174.67 1sq0 s MET 622 N 5.51 2.53 -0.00 1.70 0.23 -0.86 -2.20 119.30 126.21 1sq0 s MET 622 Ca 0.44 -0.70 0.01 0.00 -1.03 0.00 0.00 55.69 54.42 1sq0 s MET 622 Cb -0.09 -2.39 0.01 0.00 -1.53 0.00 0.00 34.83 30.84 1sq0 s MET 622 CO 0.21 0.61 0.73 0.00 -2.03 0.00 0.00 175.02 174.54 1sq0 n ALA 623 N 2.36 1.45 -3.64 3.16 0.00 -1.26 -0.12 120.51 122.45 1sq0 n ALA 623 Ca -0.17 -0.78 -0.10 0.00 0.00 0.00 0.00 53.44 52.39 1sq0 n ALA 623 Cb 0.52 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1sq0 n ALA 623 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sq0 n SER 624 N -0.23 -0.67 -3.76 0.00 3.41 -1.19 -4.04 113.62 107.15 1sq0 n SER 624 Ca 0.01 -2.15 -0.26 0.00 -0.26 0.00 0.00 58.87 56.20 1sq0 n SER 624 Cb 0.43 1.31 -0.17 0.00 -0.26 0.00 0.00 64.21 65.53 1sq0 n SER 624 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1sq0 s GLN 625 N -2.57 0.70 0.71 4.33 0.74 -1.13 -1.15 119.66 121.29 1sq0 s GLN 625 Ca 0.19 -0.28 -0.13 0.00 0.05 0.00 0.00 55.36 55.19 1sq0 s GLN 625 Cb -0.00 -1.78 0.02 0.00 1.10 0.00 0.00 33.01 32.35 1sq0 s GLN 625 CO 0.13 -0.53 1.11 -1.83 -0.55 0.00 0.00 175.29 173.62 1sq0 s GLU 626 N 1.88 2.56 0.31 1.67 -1.05 -1.26 -4.94 118.70 117.86 1sq0 s GLU 626 Ca 0.01 1.32 -0.29 0.00 -0.15 0.00 0.00 54.97 55.86 1sq0 s GLU 626 Cb -0.16 -1.92 -0.10 0.00 -0.44 0.00 0.00 34.13 31.51 1sq0 s GLU 626 CO -0.07 -1.43 1.42 -1.25 0.95 0.00 0.00 175.26 174.88 1sq0 s PRO 627 N -4.40 4.25 0.36 -4.83 0.04 -1.26 -4.88 135.00 124.28 1sq0 s PRO 627 Ca 0.65 2.36 0.14 0.00 0.04 0.00 0.00 61.00 64.19 1sq0 s PRO 627 Cb -0.19 -3.06 1.01 0.00 0.04 0.00 0.00 34.50 32.30 1sq0 s PRO 627 CO 0.47 -0.39 1.74 0.37 0.04 0.00 0.00 177.00 179.23 1sq0 h GLN 628 N 4.08 0.45 0.00 4.56 5.75 -1.99 0.49 115.11 128.45 1sq0 h GLN 628 Ca -0.48 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1sq0 h GLN 628 Cb 1.22 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1sq0 h GLN 628 CO 0.71 0.30 0.01 -2.13 -2.65 0.00 0.00 178.83 175.07 1sq0 n ARG 629 N -4.78 0.03 0.00 1.69 0.63 -1.26 -1.04 116.66 111.93 1sq0 n ARG 629 Ca 0.27 0.53 0.08 0.00 -0.92 0.00 0.00 57.85 57.81 1sq0 n ARG 629 Cb 0.85 -1.62 -0.06 0.00 0.45 0.00 0.00 32.46 32.08 1sq0 n ARG 629 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1sq0 n MET 630 N -1.67 1.44 -0.75 -0.14 2.81 0.16 -4.44 117.12 114.53 1sq0 n MET 630 Ca -0.00 -0.33 0.02 0.00 -1.81 0.00 0.00 57.70 55.57 1sq0 n MET 630 Cb 0.02 -1.32 0.29 0.00 -0.71 0.00 0.00 33.22 31.50 1sq0 n MET 630 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1sq0 n SER 631 N -0.90 4.54 0.00 7.83 7.64 -0.21 -4.53 113.62 127.99 1sq0 n SER 631 Ca 0.05 -2.81 0.03 0.00 1.01 0.00 0.00 58.87 57.15 1sq0 n SER 631 Cb 0.31 -0.67 0.40 0.00 -1.01 0.00 0.00 64.21 63.24 1sq0 n SER 631 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1sq0 h ARG 632 N 2.76 0.53 -0.21 1.43 2.43 -1.78 -2.98 114.38 116.56 1sq0 h ARG 632 Ca 0.08 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1sq0 h ARG 632 Cb 1.79 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.22 1sq0 h ARG 632 CO 0.46 0.40 -0.02 0.09 -1.51 0.00 0.00 179.97 179.40 1sq0 n ASN 633 N -4.43 3.34 0.26 -3.80 3.02 -1.26 -4.79 115.26 107.60 1sq0 n ASN 633 Ca 0.03 -3.14 -0.17 0.00 -0.03 0.00 0.00 54.58 51.26 1sq0 n ASN 633 Cb 0.10 -0.53 -0.09 0.00 -0.61 0.00 0.00 39.78 38.65 1sq0 n ASN 633 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1sq0 h PHE 634 N 1.29 -1.36 -0.75 3.10 3.57 -1.83 -1.08 116.94 119.88 1sq0 h PHE 634 Ca 0.03 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1sq0 h PHE 634 Cb 1.37 0.53 -0.04 0.00 2.79 0.00 0.00 35.95 40.61 1sq0 h PHE 634 CO 0.45 -0.64 0.49 0.28 -2.23 0.00 0.00 178.31 176.67 1sq0 h VAL 635 N -0.94 1.19 -0.23 1.41 2.07 -1.87 -0.61 116.25 117.27 1sq0 h VAL 635 Ca -0.06 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1sq0 h VAL 635 Cb 0.83 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1sq0 h VAL 635 CO -0.08 0.18 0.08 -0.09 0.02 0.00 0.00 177.57 177.69 1sq0 h ARG 636 N 1.01 0.19 -0.42 1.57 1.12 -1.82 0.89 114.38 116.92 1sq0 h ARG 636 Ca 0.27 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 59.05 1sq0 h ARG 636 Cb -0.12 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.79 1sq0 h ARG 636 CO -0.06 0.13 -0.05 1.88 -3.11 0.00 0.00 179.97 178.75 1sq0 h TYR 637 N 0.20 0.86 -0.94 2.20 0.05 -0.63 -1.21 116.97 117.50 1sq0 h TYR 637 Ca 0.10 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1sq0 h TYR 637 Cb 0.06 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 37.54 1sq0 h TYR 637 CO -0.12 0.87 0.59 0.28 -1.05 0.00 0.00 178.16 178.73 1sq0 h VAL 638 N 0.60 1.25 -0.52 -2.88 2.07 -0.86 -1.15 116.25 114.76 1sq0 h VAL 638 Ca 0.11 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1sq0 h VAL 638 Cb 0.56 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1sq0 h VAL 638 CO 0.03 0.25 0.09 1.56 0.02 0.00 0.00 177.57 179.52 1sq0 h GLN 639 N 1.28 0.85 -0.50 1.57 1.08 -0.67 -2.61 115.11 116.12 1sq0 h GLN 639 Ca 0.34 -0.23 0.04 0.00 -1.45 0.00 0.00 58.65 57.35 1sq0 h GLN 639 Cb -0.09 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.20 1sq0 h GLN 639 CO -0.07 0.84 0.27 0.78 -0.95 0.00 0.00 178.83 179.70 1sq0 h GLY 640 N 0.73 0.70 0.82 3.46 0.00 -0.45 -0.83 103.07 107.51 1sq0 h GLY 640 Ca 0.16 -0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.38 1sq0 h GLY 640 CO 0.01 0.14 0.55 1.41 0.00 0.00 0.00 176.54 178.65 1sq0 h LEU 641 N 0.53 0.77 0.12 3.11 -0.00 -1.00 -2.07 115.31 116.76 1sq0 h LEU 641 Ca 0.21 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.10 1sq0 h LEU 641 Cb 0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1sq0 h LEU 641 CO -0.13 0.47 -0.06 0.50 -0.00 0.00 0.00 178.44 179.22 1sq0 h LYS 642 N 0.86 -0.16 -0.16 1.13 3.64 -0.82 -0.67 116.57 120.38 1sq0 h LYS 642 Ca 0.38 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.82 1sq0 h LYS 642 Cb 0.36 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1sq0 h LYS 642 CO -0.15 0.03 0.38 0.87 -2.27 0.00 0.00 179.45 178.31 1sq0 h LYS 643 N -0.32 0.00 -0.58 1.90 1.57 -0.57 0.23 116.57 118.80 1sq0 h LYS 643 Ca -0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 1sq0 h LYS 643 Cb 0.26 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.47 1sq0 h LYS 643 CO 0.03 0.00 0.17 1.63 -0.57 0.00 0.00 179.45 180.71 1sq0 n LYS 644 N -3.22 3.20 -3.85 3.15 5.02 -0.88 -4.96 118.16 116.62 1sq0 n LYS 644 Ca 0.02 -3.06 -0.27 0.00 -2.02 0.00 0.00 58.31 52.98 1sq0 n LYS 644 Cb 0.48 -2.07 0.02 0.00 -0.02 0.00 0.00 35.03 33.44 1sq0 n LYS 644 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sq0 n LYS 645 N -0.43 -5.10 -3.96 1.97 4.01 0.82 -4.97 118.16 110.51 1sq0 n LYS 645 Ca 0.36 0.59 -0.35 0.00 -0.51 0.00 0.00 58.31 58.40 1sq0 n LYS 645 Cb 1.24 -5.30 -0.14 0.00 -0.51 0.00 0.00 35.03 30.31 1sq0 n LYS 645 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1sq0 s VAL 646 N -3.48 2.96 -0.10 -0.18 1.01 -0.31 -4.13 120.40 116.17 1sq0 s VAL 646 Ca 0.39 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 1sq0 s VAL 646 Cb -0.19 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1sq0 s VAL 646 CO 0.83 0.31 0.74 -0.63 0.00 0.00 0.00 175.10 176.35 1sq0 s ILE 647 N 1.38 5.00 -0.29 2.22 1.01 0.29 -4.13 121.20 126.67 1sq0 s ILE 647 Ca 0.03 1.49 -0.08 0.00 0.00 0.00 0.00 60.65 62.08 1sq0 s ILE 647 Cb -0.15 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1sq0 s ILE 647 CO -0.05 0.18 0.11 -0.69 0.00 0.00 0.00 174.94 174.49 1sq0 s VAL 648 N 1.26 4.34 -0.42 2.92 1.01 -1.26 -0.91 120.40 127.33 1sq0 s VAL 648 Ca 0.37 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1sq0 s VAL 648 Cb -0.17 -3.18 0.10 0.00 0.00 0.00 0.00 36.38 33.12 1sq0 s VAL 648 CO 0.16 0.13 0.25 -0.63 0.00 0.00 0.00 175.10 175.01 1sq0 s ILE 649 N 1.58 3.85 0.28 2.22 1.01 -0.44 -4.45 121.20 125.25 1sq0 s ILE 649 Ca 0.04 -1.70 -0.29 0.00 0.00 0.00 0.00 60.65 58.71 1sq0 s ILE 649 Cb -0.17 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 1sq0 s ILE 649 CO 0.04 -0.60 1.07 -2.84 0.00 0.00 0.00 174.94 172.61 1sq0 s PRO 650 N 1.31 4.64 -0.43 2.79 0.02 -1.26 -2.25 135.00 139.82 1sq0 s PRO 650 Ca 0.05 1.73 0.02 0.00 0.02 0.00 0.00 61.00 62.81 1sq0 s PRO 650 Cb -0.24 -3.15 0.13 0.00 0.02 0.00 0.00 34.50 31.27 1sq0 s PRO 650 CO -0.01 0.23 0.22 0.08 -0.33 0.00 0.00 177.00 177.19 1sq0 s VAL 651 N -1.21 1.42 0.02 3.83 1.01 -0.93 -1.12 120.40 123.42 1sq0 s VAL 651 Ca 0.45 -2.46 -0.30 0.00 0.00 0.00 0.00 61.98 59.66 1sq0 s VAL 651 Cb -0.30 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 1sq0 s VAL 651 CO 0.38 -0.86 1.40 -0.83 0.00 0.00 0.00 175.10 175.20 1sq0 s GLY 652 N 0.47 1.88 -0.21 4.51 0.00 0.04 -2.02 107.32 111.98 1sq0 s GLY 652 Ca 0.17 0.93 0.01 0.00 0.00 0.00 0.00 44.72 45.83 1sq0 s GLY 652 CO -0.02 2.49 -0.15 -0.42 0.00 0.00 0.00 173.10 174.99 1sq0 s ILE 653 N 2.16 2.23 0.00 0.90 1.01 0.82 -1.01 121.20 127.32 1sq0 s ILE 653 Ca 0.64 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1sq0 s ILE 653 Cb -0.33 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1sq0 s ILE 653 CO 0.27 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.18 1sq0 n GLY 654 N 4.58 -0.89 0.07 6.18 0.00 -0.29 -4.33 105.19 110.50 1sq0 n GLY 654 Ca -0.19 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.28 1sq0 n GLY 654 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sq0 n PRO 655 N -0.82 0.13 -0.60 1.61 -0.04 -1.26 -3.65 135.00 130.36 1sq0 n PRO 655 Ca 0.00 0.25 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 1sq0 n PRO 655 Cb 0.00 -1.70 0.32 0.00 -0.04 0.00 0.00 33.50 32.08 1sq0 n PRO 655 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1sq0 n HIS 656 N -1.93 1.37 -2.43 0.54 8.25 -1.26 -4.97 115.22 114.79 1sq0 n HIS 656 Ca 0.04 -0.74 -0.42 0.00 -0.26 0.00 0.00 57.72 56.34 1sq0 n HIS 656 Cb 0.29 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 1sq0 n HIS 656 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sq0 s ALA 657 N -2.44 3.39 -0.94 -1.41 0.00 -1.24 -2.85 121.76 116.26 1sq0 s ALA 657 Ca 0.46 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 53.04 1sq0 s ALA 657 Cb 0.34 -3.43 -0.21 0.00 0.00 0.00 0.00 23.12 19.83 1sq0 s ALA 657 CO 0.15 -0.40 2.00 -1.71 0.00 0.00 0.00 175.76 175.80 1sq0 n ASN 658 N 3.61 0.92 0.26 0.00 2.85 -0.30 -4.73 115.26 117.87 1sq0 n ASN 658 Ca 0.08 -2.30 0.08 0.00 -0.11 0.00 0.00 54.58 52.33 1sq0 n ASN 658 Cb 0.46 -1.59 0.64 0.00 1.24 0.00 0.00 39.78 40.54 1sq0 n ASN 658 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1sq0 h LEU 659 N 20.96 0.00 -0.47 1.20 3.38 -1.90 -1.36 115.31 137.12 1sq0 h LEU 659 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1sq0 h LEU 659 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1sq0 h LEU 659 CO 1.00 0.03 -0.02 0.50 0.09 0.00 0.00 178.44 180.05 1sq0 h LYS 660 N 0.00 0.83 -0.23 1.13 3.64 -2.00 -1.75 116.57 118.19 1sq0 h LYS 660 Ca -0.00 -0.27 -0.14 0.00 -1.27 0.00 0.00 60.65 58.96 1sq0 h LYS 660 Cb 0.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1sq0 h LYS 660 CO 0.00 0.89 -0.44 1.96 -2.27 0.00 0.00 179.45 179.59 1sq0 h GLN 661 N 0.68 0.58 -0.65 1.90 4.20 -1.74 -1.04 115.11 119.03 1sq0 h GLN 661 Ca 0.13 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 1sq0 h GLN 661 Cb 0.53 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1sq0 h GLN 661 CO 0.03 0.91 0.27 0.82 -0.67 0.00 0.00 178.83 180.18 1sq0 h ILE 662 N 0.47 1.24 0.14 2.54 2.04 -1.13 0.04 117.51 122.85 1sq0 h ILE 662 Ca 0.03 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1sq0 h ILE 662 Cb 0.96 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1sq0 h ILE 662 CO 0.09 0.29 -0.07 -0.09 0.00 0.00 0.00 178.15 178.37 1sq0 h ARG 663 N 0.92 -0.19 -0.15 2.37 1.12 -1.19 -2.00 114.38 115.26 1sq0 h ARG 663 Ca 0.22 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.15 1sq0 h ARG 663 Cb 0.20 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1sq0 h ARG 663 CO -0.02 0.05 0.24 -0.07 -3.11 0.00 0.00 179.97 177.07 1sq0 h LEU 664 N -0.41 0.00 0.07 3.80 3.38 -0.86 -1.19 115.31 120.10 1sq0 h LEU 664 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1sq0 h LEU 664 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1sq0 h LEU 664 CO 0.03 0.00 -0.85 0.40 0.09 0.00 0.00 178.44 178.11 1sq0 h ILE 665 N 0.00 1.35 -0.72 1.22 2.04 -0.65 -3.06 117.51 117.69 1sq0 h ILE 665 Ca 0.07 -2.39 0.12 0.00 1.00 0.00 0.00 64.86 63.67 1sq0 h ILE 665 Cb 0.56 2.95 -0.05 0.00 -0.74 0.00 0.00 36.82 39.54 1sq0 h ILE 665 CO -0.00 0.62 0.48 -0.33 0.00 0.00 0.00 178.15 178.92 1sq0 h GLU 666 N -0.62 0.48 -0.30 2.37 5.08 -0.59 -2.52 114.58 118.48 1sq0 h GLU 666 Ca -0.19 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1sq0 h GLU 666 Cb 1.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1sq0 h GLU 666 CO 0.02 0.32 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.87 1sq0 h LYS 667 N 0.50 0.71 0.00 2.33 1.63 -1.33 -3.28 116.57 117.12 1sq0 h LYS 667 Ca 0.34 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1sq0 h LYS 667 Cb 0.65 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1sq0 h LYS 667 CO -0.11 0.97 0.00 1.96 -3.45 0.00 0.00 179.45 178.82 1sq0 h GLN 668 N 0.46 0.00 -2.34 1.90 1.08 -1.34 -3.43 115.11 111.44 1sq0 h GLN 668 Ca 0.05 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1sq0 h GLN 668 Cb 0.82 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.04 1sq0 h GLN 668 CO 0.07 0.00 -0.02 0.00 -0.95 0.00 0.00 178.83 177.93 1sq0 s ALA 669 N -3.96 -1.43 0.06 3.87 0.00 -1.24 -5.03 121.76 114.04 1sq0 s ALA 669 Ca -0.03 1.43 -0.24 0.00 0.00 0.00 0.00 51.96 53.12 1sq0 s ALA 669 Cb 0.11 -0.65 -0.16 0.00 0.00 0.00 0.00 23.12 22.42 1sq0 s ALA 669 CO 0.40 -0.29 1.63 -1.00 0.00 0.00 0.00 175.76 176.50 1sq0 h PRO 670 N 4.62 -0.01 0.00 0.00 0.13 -1.84 -2.85 132.00 132.06 1sq0 h PRO 670 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1sq0 h PRO 670 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1sq0 h PRO 670 CO 0.22 0.11 0.00 0.39 -0.23 0.00 0.00 178.00 178.48 1sq0 n GLU 671 N -5.04 0.28 -2.10 0.86 1.02 -1.26 -4.30 120.64 110.10 1sq0 n GLU 671 Ca -0.07 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 1sq0 n GLU 671 Cb 0.08 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1sq0 n GLU 671 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sq0 n ASN 672 N -1.16 4.26 -4.81 1.62 4.13 -1.08 -4.87 115.26 113.35 1sq0 n ASN 672 Ca 0.08 -2.86 -0.38 0.00 1.68 0.00 0.00 54.58 53.09 1sq0 n ASN 672 Cb 0.07 -1.68 -0.06 0.00 -1.54 0.00 0.00 39.78 36.57 1sq0 n ASN 672 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1sq0 s LYS 673 N 3.86 4.23 0.27 3.52 2.20 -1.26 -4.06 119.74 128.50 1sq0 s LYS 673 Ca 0.51 0.79 0.09 0.00 -0.36 0.00 0.00 55.97 57.00 1sq0 s LYS 673 Cb 0.09 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.24 1sq0 s LYS 673 CO 0.00 0.56 0.02 0.00 -0.36 0.00 0.00 175.35 175.57 1sq0 s ALA 674 N -1.24 3.21 -0.03 3.13 0.00 -1.26 -4.06 121.76 121.50 1sq0 s ALA 674 Ca 0.34 -1.66 0.05 0.00 0.00 0.00 0.00 51.96 50.68 1sq0 s ALA 674 Cb -0.19 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1sq0 s ALA 674 CO 0.21 0.24 -0.17 -0.06 0.00 0.00 0.00 175.76 175.98 1sq0 s PHE 675 N -2.33 1.57 -0.19 0.00 0.08 -0.28 -5.00 117.98 111.84 1sq0 s PHE 675 Ca 0.32 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.00 1sq0 s PHE 675 Cb -0.06 -1.04 0.04 0.00 -0.57 0.00 0.00 43.02 41.39 1sq0 s PHE 675 CO 0.20 -0.10 -0.12 0.08 -0.10 0.00 0.00 175.22 175.19 1sq0 s VAL 676 N -0.15 1.69 -0.04 -0.44 1.01 -1.26 -0.78 120.40 120.43 1sq0 s VAL 676 Ca 0.01 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1sq0 s VAL 676 Cb -0.09 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1sq0 s VAL 676 CO 0.01 0.24 -0.16 -0.76 0.00 0.00 0.00 175.10 174.42 1sq0 s LEU 677 N 1.39 2.61 0.57 3.92 1.02 -0.18 -4.99 118.68 123.02 1sq0 s LEU 677 Ca -0.00 -0.26 0.35 0.00 0.02 0.00 0.00 54.13 54.24 1sq0 s LEU 677 Cb -0.16 -1.52 1.53 0.00 0.02 0.00 0.00 46.19 46.06 1sq0 s LEU 677 CO -0.09 0.33 2.04 0.77 0.02 0.00 0.00 176.35 179.43 1sq0 h SER 678 N 5.30 0.00 -4.97 2.29 4.64 -1.91 -0.77 113.55 118.13 1sq0 h SER 678 Ca -0.46 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.06 1sq0 h SER 678 Cb 1.15 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.10 1sq0 h SER 678 CO 0.50 0.00 0.61 -0.94 -0.87 0.00 0.00 176.83 176.13 1sq0 s SER 679 N -5.62 -0.21 0.57 4.97 1.04 -1.26 -3.67 113.70 109.52 1sq0 s SER 679 Ca 0.00 -0.14 0.31 0.00 0.48 0.00 0.00 55.95 56.59 1sq0 s SER 679 Cb 0.10 0.33 1.66 0.00 0.10 0.00 0.00 66.02 68.21 1sq0 s SER 679 CO 0.52 -0.57 1.92 -0.37 0.98 0.00 0.00 173.24 175.73 1sq0 h VAL 680 N 2.00 0.00 0.00 5.02 -1.51 -1.93 0.10 116.25 119.93 1sq0 h VAL 680 Ca -0.22 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.18 1sq0 h VAL 680 Cb 1.22 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 1sq0 h VAL 680 CO 0.27 0.00 -0.37 0.44 -1.23 0.00 0.00 177.57 176.68 1sq0 h ASP 681 N 0.00 0.00 0.70 4.19 3.32 -1.96 -2.27 116.42 120.40 1sq0 h ASP 681 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sq0 h ASP 681 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1sq0 h ASP 681 CO 0.00 0.37 0.00 -0.62 -1.72 0.00 0.00 179.24 177.27 1sq0 n GLU 682 N -3.54 0.15 0.32 3.56 -0.58 0.36 -3.82 120.64 117.08 1sq0 n GLU 682 Ca -0.00 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.65 1sq0 n GLU 682 Cb 0.50 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.80 1sq0 n GLU 682 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1sq0 h LEU 683 N 0.00 -0.90 0.00 -4.62 5.85 -1.48 -1.34 115.31 112.83 1sq0 h LEU 683 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1sq0 h LEU 683 Cb 0.35 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1sq0 h LEU 683 CO 0.00 -0.55 0.00 1.21 -0.34 0.00 0.00 178.44 178.76 1sq0 n GLU 684 N -4.61 0.07 0.02 1.25 0.00 -1.25 -2.34 120.64 113.77 1sq0 n GLU 684 Ca -0.11 0.27 -0.02 0.00 0.00 0.00 0.00 57.16 57.30 1sq0 n GLU 684 Cb 0.36 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.29 1sq0 n GLU 684 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1sq0 h GLN 685 N 0.00 -0.14 -1.04 5.31 1.08 -1.41 -3.34 115.11 115.58 1sq0 h GLN 685 Ca 0.00 0.01 -0.34 0.00 -1.45 0.00 0.00 58.65 56.87 1sq0 h GLN 685 Cb 0.07 0.03 -0.20 0.00 -0.05 0.00 0.00 27.48 27.34 1sq0 h GLN 685 CO 0.00 -0.09 0.44 0.00 -0.95 0.00 0.00 178.83 178.23 1sq0 n GLN 686 N -4.12 1.83 0.09 1.46 10.64 -0.94 -4.47 117.38 121.86 1sq0 n GLN 686 Ca -0.02 -1.94 -0.13 0.00 -1.83 0.00 0.00 57.00 53.08 1sq0 n GLN 686 Cb 0.06 -1.76 -0.08 0.00 -0.86 0.00 0.00 30.24 27.59 1sq0 n GLN 686 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1sq0 h ARG 687 N 0.75 -0.21 -0.90 2.61 2.43 -1.59 -1.32 114.38 116.14 1sq0 h ARG 687 Ca 0.41 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.75 1sq0 h ARG 687 Cb 2.06 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 31.59 1sq0 h ARG 687 CO 0.74 0.10 0.58 -0.44 -1.51 0.00 0.00 179.97 179.44 1sq0 h ASP 688 N -0.52 0.60 -0.36 -3.80 3.45 -1.86 0.41 116.42 114.34 1sq0 h ASP 688 Ca -0.02 0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.39 1sq0 h ASP 688 Cb 0.40 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.08 1sq0 h ASP 688 CO 0.04 0.29 -0.09 -0.08 -1.57 0.00 0.00 179.24 177.82 1sq0 h GLU 689 N 0.63 0.79 -0.03 3.56 4.81 -1.80 0.26 114.58 122.80 1sq0 h GLU 689 Ca 0.46 -0.26 -0.24 0.00 -0.13 0.00 0.00 59.36 59.19 1sq0 h GLU 689 Cb 0.83 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.15 1sq0 h GLU 689 CO -0.21 0.86 -0.95 0.82 -0.73 0.00 0.00 179.01 178.80 1sq0 h ILE 690 N 0.72 1.32 -0.08 2.32 2.04 0.44 -2.87 117.51 121.39 1sq0 h ILE 690 Ca 0.12 -2.25 -0.03 0.00 1.00 0.00 0.00 64.86 63.70 1sq0 h ILE 690 Cb 0.57 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1sq0 h ILE 690 CO 0.04 0.69 -0.06 0.58 0.00 0.00 0.00 178.15 179.39 1sq0 h VAL 691 N 0.36 1.35 -0.92 1.67 2.07 -0.18 -2.94 116.25 117.66 1sq0 h VAL 691 Ca -0.09 -1.16 0.16 0.00 0.82 0.00 0.00 66.70 66.43 1sq0 h VAL 691 Cb 1.59 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 33.21 1sq0 h VAL 691 CO 0.18 0.32 0.59 -1.28 0.02 0.00 0.00 177.57 177.40 1sq0 h SER 692 N -0.21 0.64 0.83 0.57 0.87 -0.55 0.11 113.55 115.81 1sq0 h SER 692 Ca 0.02 0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.53 1sq0 h SER 692 Cb 0.55 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1sq0 h SER 692 CO 0.02 0.29 -0.48 0.22 -0.53 0.00 0.00 176.83 176.35 1sq0 h TYR 693 N 0.66 0.00 0.10 2.24 3.20 -1.44 -2.85 116.97 118.88 1sq0 h TYR 693 Ca 0.48 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 62.08 1sq0 h TYR 693 Cb 0.84 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.12 1sq0 h TYR 693 CO -0.00 0.48 -1.18 -0.07 -1.64 0.00 0.00 178.16 175.75 1sq0 h LEU 694 N 0.00 0.55 -1.54 2.82 3.38 -0.84 -2.87 115.31 116.82 1sq0 h LEU 694 Ca -0.00 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1sq0 h LEU 694 Cb 1.02 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1sq0 h LEU 694 CO 0.06 1.38 -0.13 0.00 0.09 0.00 0.00 178.44 179.84 1sq0 n ASP 696 N -3.38 0.48 -0.11 0.00 8.00 -1.08 -4.06 116.55 116.39 1sq0 n ASP 696 Ca -0.01 0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.40 1sq0 n ASP 696 Cb 0.32 0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 41.31 1sq0 n ASP 696 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sq0 n LEU 697 N -1.71 1.39 -4.90 0.64 4.77 -0.57 -4.99 117.00 111.64 1sq0 n LEU 697 Ca 0.05 -0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1sq0 n LEU 697 Cb 0.37 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1sq0 n LEU 697 CO 0.34 0.70 0.01 0.00 -1.33 0.00 0.00 177.39 177.10 1sq0 s ALA 698 N -2.51 3.81 0.79 -1.18 0.00 -0.36 -4.88 121.76 117.44 1sq0 s ALA 698 Ca -0.21 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1sq0 s ALA 698 Cb 0.07 -2.10 0.07 0.00 0.00 0.00 0.00 23.12 21.16 1sq0 s ALA 698 CO 0.73 0.68 1.09 -2.14 0.00 0.00 0.00 175.76 176.11 1sq0 s PRO 699 N -2.47 2.12 0.41 0.00 0.02 -1.26 -4.81 135.00 129.01 1sq0 s PRO 699 Ca 0.38 1.13 -0.23 0.00 0.02 0.00 0.00 61.00 62.30 1sq0 s PRO 699 Cb -0.12 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 1sq0 s PRO 699 CO 0.23 -1.73 0.99 -1.21 -0.33 0.00 0.00 177.00 174.96 1sq0 s GLU 700 N -4.91 4.20 0.39 5.54 2.02 -1.26 -0.89 118.70 123.79 1sq0 s GLU 700 Ca 0.61 1.32 0.08 0.00 0.02 0.00 0.00 54.97 57.00 1sq0 s GLU 700 Cb -0.17 -2.39 -0.07 0.00 0.10 0.00 0.00 34.13 31.60 1sq0 s GLU 700 CO 0.56 -0.08 -0.02 0.00 0.02 0.00 0.00 175.26 175.75 1sq0 s ALA 701 N -1.88 3.12 0.06 5.21 0.00 -1.03 -4.52 121.76 122.72 1sq0 s ALA 701 Ca 0.59 -2.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.16 1sq0 s ALA 701 Cb -0.16 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 1sq0 s ALA 701 CO 0.20 -0.05 0.52 -1.25 0.00 0.00 0.00 175.76 175.18 1sq0 s PRO 702 N -3.68 4.08 0.00 0.00 0.04 -1.26 -4.70 135.00 129.48 1sq0 s PRO 702 Ca 0.34 0.60 0.29 0.00 0.04 0.00 0.00 61.00 62.28 1sq0 s PRO 702 Cb 0.07 -3.19 1.28 0.00 0.04 0.00 0.00 34.50 32.70 1sq0 s PRO 702 CO 0.18 0.63 1.87 -0.35 0.04 0.00 0.00 177.00 179.38