#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auq n ILE 499 N 0.00 5.05 -4.01 5.18 3.06 -1.26 -4.97 119.36 122.41 1auq n ILE 499 Ca 0.00 -5.84 -0.10 0.00 -2.50 0.00 0.00 62.75 54.31 1auq n ILE 499 Cb 0.00 -1.85 -0.08 0.00 0.54 0.00 0.00 39.64 38.25 1auq n ILE 499 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1auq s SER 500 N -1.89 0.10 0.06 9.51 0.15 -1.26 -4.22 113.70 116.15 1auq s SER 500 Ca 0.36 -0.95 -0.08 0.00 0.70 0.00 0.00 55.95 55.98 1auq s SER 500 Cb 0.13 0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1auq s SER 500 CO -0.00 -0.86 0.16 -1.83 1.20 0.00 0.00 173.24 171.92 1auq s GLU 501 N -3.99 0.72 1.22 5.44 -1.05 -1.26 -5.05 118.70 114.73 1auq s GLU 501 Ca 0.19 -0.79 -0.15 0.00 -0.15 0.00 0.00 54.97 54.07 1auq s GLU 501 Cb 0.04 0.29 0.29 0.00 -0.44 0.00 0.00 34.13 34.32 1auq s GLU 501 CO 0.01 -0.21 0.87 -2.30 0.95 0.00 0.00 175.26 174.57 1auq n PRO 502 N 0.41 -2.78 -2.72 -4.83 -0.02 -1.26 -4.98 135.00 118.82 1auq n PRO 502 Ca -0.17 -0.79 -0.38 0.00 -2.02 0.00 0.00 63.50 60.14 1auq n PRO 502 Cb 0.60 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 1auq n PRO 502 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1auq s PRO 503 N -4.31 4.59 0.26 0.52 0.02 -1.26 -4.95 135.00 129.87 1auq s PRO 503 Ca 0.67 1.42 0.23 0.00 0.02 0.00 0.00 61.00 63.34 1auq s PRO 503 Cb -0.23 -2.90 0.17 0.00 0.02 0.00 0.00 34.50 31.56 1auq s PRO 503 CO 0.65 0.27 1.27 -0.07 -0.33 0.00 0.00 177.00 178.79 1auq h LEU 504 N 3.34 0.00 -9.36 -5.54 3.38 -1.94 -3.48 115.31 101.71 1auq h LEU 504 Ca -0.47 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 56.95 1auq h LEU 504 Cb 1.20 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.81 1auq h LEU 504 CO 0.65 0.01 -0.54 -1.00 0.09 0.00 0.00 178.44 177.66 1auq s HIS 505 N -3.29 1.80 -0.14 1.13 3.76 -1.26 -5.05 115.29 112.24 1auq s HIS 505 Ca 0.03 -1.23 -0.12 0.00 -0.15 0.00 0.00 55.06 53.59 1auq s HIS 505 Cb 0.09 -1.16 -0.24 0.00 1.11 0.00 0.00 32.58 32.38 1auq s HIS 505 CO 0.74 -0.26 0.35 -0.44 -0.85 0.00 0.00 174.74 174.28 1auq h ASP 506 N 1.88 0.31 -2.90 1.40 3.32 -1.96 -3.44 116.42 115.03 1auq h ASP 506 Ca -0.36 -0.82 -0.56 0.00 0.02 0.00 0.00 57.03 55.31 1auq h ASP 506 Cb 1.27 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1auq h ASP 506 CO 0.59 1.74 0.87 0.12 -1.72 0.00 0.00 179.24 180.84 1auq s PHE 507 N -2.50 2.80 -0.28 4.55 5.36 -1.26 -4.97 117.98 121.69 1auq s PHE 507 Ca -0.24 0.89 -0.21 0.00 -0.96 0.00 0.00 56.93 56.41 1auq s PHE 507 Cb 0.06 -3.59 0.08 0.00 -0.34 0.00 0.00 43.02 39.24 1auq s PHE 507 CO 0.72 -2.12 0.74 -0.47 -1.46 0.00 0.00 175.22 172.63 1auq s TYR 508 N 3.03 -0.88 -0.30 10.12 5.04 -1.26 -4.63 117.35 128.47 1auq s TYR 508 Ca 0.60 1.93 -0.13 0.00 -2.44 0.00 0.00 57.07 57.03 1auq s TYR 508 Cb -0.26 0.43 -0.03 0.00 0.35 0.00 0.00 41.96 42.44 1auq s TYR 508 CO 0.21 -0.43 0.28 0.00 -1.34 0.00 0.00 175.55 174.28 1auq n SER 510 N 5.21 3.24 -3.90 0.00 2.88 -1.26 -0.34 113.62 119.45 1auq n SER 510 Ca -0.11 -3.32 -0.19 0.00 -1.33 0.00 0.00 58.87 53.92 1auq n SER 510 Cb 0.51 -0.68 -0.09 0.00 -0.75 0.00 0.00 64.21 63.20 1auq n SER 510 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1auq s ARG 511 N -2.17 1.62 -0.71 -1.46 0.52 -1.26 -4.64 118.95 110.84 1auq s ARG 511 Ca 0.37 -1.93 -0.23 0.00 -0.52 0.00 0.00 55.73 53.42 1auq s ARG 511 Cb 0.12 -0.03 0.07 0.00 0.52 0.00 0.00 34.95 35.63 1auq s ARG 511 CO -0.05 -0.48 1.06 -0.51 0.02 0.00 0.00 175.30 175.34 1auq s LEU 512 N -3.37 4.18 -0.00 2.53 1.43 -0.44 -3.70 118.68 119.29 1auq s LEU 512 Ca 0.36 -1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1auq s LEU 512 Cb 0.04 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 1auq s LEU 512 CO 0.19 -1.49 0.04 -0.22 0.23 0.00 0.00 176.35 175.10 1auq s LEU 513 N 4.30 1.90 -0.31 1.79 2.96 -0.96 -1.56 118.68 126.79 1auq s LEU 513 Ca 0.26 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1auq s LEU 513 Cb -0.13 0.24 0.08 0.00 0.50 0.00 0.00 46.19 46.88 1auq s LEU 513 CO 0.08 -0.17 0.00 -1.81 -1.32 0.00 0.00 176.35 173.13 1auq s ASP 514 N -0.71 4.70 -0.19 3.68 1.11 0.41 -0.60 116.67 125.06 1auq s ASP 514 Ca -0.08 -1.83 -0.05 0.00 0.18 0.00 0.00 52.55 50.77 1auq s ASP 514 Cb -0.05 -1.62 -0.03 0.00 1.07 0.00 0.00 42.92 42.29 1auq s ASP 514 CO -0.00 -0.32 0.01 -0.22 1.18 0.00 0.00 175.17 175.82 1auq s LEU 515 N 1.01 3.35 -0.23 1.23 2.96 0.65 -1.16 118.68 126.49 1auq s LEU 515 Ca 0.03 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.73 1auq s LEU 515 Cb -0.20 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1auq s LEU 515 CO -0.06 0.10 0.03 -0.69 -1.32 0.00 0.00 176.35 174.40 1auq s VAL 516 N 0.82 4.01 -0.28 1.68 1.01 0.17 -1.57 120.40 126.22 1auq s VAL 516 Ca 0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1auq s VAL 516 Cb -0.14 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1auq s VAL 516 CO 0.02 0.38 0.36 -0.36 0.00 0.00 0.00 175.10 175.51 1auq s PHE 517 N 1.40 3.24 -0.38 5.22 0.08 -0.09 0.32 117.98 127.76 1auq s PHE 517 Ca 0.05 0.34 -0.04 0.00 0.12 0.00 0.00 56.93 57.40 1auq s PHE 517 Cb -0.15 -2.57 0.09 0.00 -0.57 0.00 0.00 43.02 39.81 1auq s PHE 517 CO 0.01 -0.25 0.16 -0.51 -0.10 0.00 0.00 175.22 174.53 1auq s LEU 518 N 2.05 4.86 -0.18 -0.37 1.43 -0.45 -0.93 118.68 125.09 1auq s LEU 518 Ca 0.14 -1.71 -0.19 0.00 -1.03 0.00 0.00 54.13 51.34 1auq s LEU 518 Cb -0.16 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1auq s LEU 518 CO 0.10 -0.46 0.56 -0.76 0.23 0.00 0.00 176.35 176.02 1auq s LEU 519 N 1.23 4.18 0.07 1.79 1.02 0.94 -1.33 118.68 126.58 1auq s LEU 519 Ca 0.04 0.78 -0.30 0.00 0.02 0.00 0.00 54.13 54.66 1auq s LEU 519 Cb -0.22 -2.79 -0.09 0.00 0.02 0.00 0.00 46.19 43.11 1auq s LEU 519 CO -0.02 -0.18 1.91 -0.62 0.02 0.00 0.00 176.35 177.46 1auq s ASP 520 N 1.06 6.44 -0.04 2.29 -1.08 -1.00 -0.68 116.67 123.66 1auq s ASP 520 Ca 0.27 2.70 0.17 0.00 -0.52 0.00 0.00 52.55 55.16 1auq s ASP 520 Cb -0.16 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.29 1auq s ASP 520 CO 0.10 -1.03 1.45 0.61 0.52 0.00 0.00 175.17 176.82 1auq n GLY 521 N 4.42 2.78 3.78 2.66 0.00 0.19 -4.82 105.19 114.20 1auq n GLY 521 Ca 0.19 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 1auq n GLY 521 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1auq s SER 522 N -1.06 2.61 0.00 1.61 1.04 -1.26 -0.68 113.70 115.97 1auq s SER 522 Ca 0.40 0.63 0.29 0.00 0.48 0.00 0.00 55.95 57.74 1auq s SER 522 Cb 0.23 -0.92 1.59 0.00 0.10 0.00 0.00 66.02 67.02 1auq s SER 522 CO 0.23 -3.08 2.04 -1.54 0.98 0.00 0.00 173.24 171.87 1auq n SER 523 N -4.06 0.37 0.28 7.02 3.41 0.15 -3.40 113.62 117.38 1auq n SER 523 Ca 0.11 -1.18 0.16 0.00 -0.26 0.00 0.00 58.87 57.70 1auq n SER 523 Cb 0.59 -0.00 0.82 0.00 -0.26 0.00 0.00 64.21 65.36 1auq n SER 523 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1auq h ARG 524 N 0.56 0.00 -5.65 4.33 2.47 -1.88 -3.39 114.38 110.82 1auq h ARG 524 Ca 0.00 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.06 1auq h ARG 524 Cb 0.12 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 28.22 1auq h ARG 524 CO 0.00 0.07 -0.70 -0.51 0.56 0.00 0.00 179.97 179.39 1auq s LEU 525 N -6.75 3.11 0.71 3.04 1.43 -1.22 -5.04 118.68 113.97 1auq s LEU 525 Ca -0.02 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1auq s LEU 525 Cb 0.12 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.70 1auq s LEU 525 CO 0.54 0.25 1.02 -0.94 0.23 0.00 0.00 176.35 177.45 1auq s SER 526 N -0.12 4.71 0.25 2.29 1.04 -1.26 -4.79 113.70 115.82 1auq s SER 526 Ca 0.01 0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.79 1auq s SER 526 Cb -0.13 -0.99 0.47 0.00 0.10 0.00 0.00 66.02 65.47 1auq s SER 526 CO 0.03 -1.66 1.75 -0.08 0.98 0.00 0.00 173.24 174.26 1auq h GLU 527 N -0.63 0.52 -0.31 4.02 4.57 -1.96 0.20 114.58 120.99 1auq h GLU 527 Ca -0.44 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 57.59 1auq h GLU 527 Cb 1.31 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1auq h GLU 527 CO 0.58 0.34 -0.30 0.00 -1.18 0.00 0.00 179.01 178.45 1auq h ALA 528 N 1.54 0.88 -0.08 2.92 0.00 -2.00 -1.90 119.26 120.63 1auq h ALA 528 Ca 0.43 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1auq h ALA 528 Cb 0.60 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1auq h ALA 528 CO -0.37 0.63 -0.76 0.93 0.00 0.00 0.00 179.25 179.67 1auq h GLU 529 N 0.56 0.46 -0.71 0.00 5.08 -1.63 -3.01 114.58 115.34 1auq h GLU 529 Ca 0.07 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1auq h GLU 529 Cb 0.80 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1auq h GLU 529 CO 0.07 1.03 0.26 0.35 -1.00 0.00 0.00 179.01 179.71 1auq h PHE 530 N 0.30 1.09 -0.37 4.33 3.57 -0.41 -0.59 116.94 124.87 1auq h PHE 530 Ca -0.04 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 1auq h PHE 530 Cb 1.36 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1auq h PHE 530 CO 0.05 0.84 0.23 0.93 -2.23 0.00 0.00 178.31 178.13 1auq h GLU 531 N 1.04 0.49 -0.08 1.11 4.39 -1.22 1.00 114.58 121.30 1auq h GLU 531 Ca 0.24 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.75 1auq h GLU 531 Cb 0.24 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1auq h GLU 531 CO -0.02 0.34 -0.61 0.28 -1.16 0.00 0.00 179.01 177.84 1auq h VAL 532 N 0.50 1.38 0.07 3.13 2.07 -1.04 -1.10 116.25 121.27 1auq h VAL 532 Ca 0.13 -1.98 -0.00 0.00 0.82 0.00 0.00 66.70 65.67 1auq h VAL 532 Cb -0.03 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1auq h VAL 532 CO -0.03 0.59 -0.03 0.25 0.02 0.00 0.00 177.57 178.37 1auq h LEU 533 N 0.21 -0.08 -1.28 2.57 5.85 -0.04 -1.09 115.31 121.44 1auq h LEU 533 Ca -0.01 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1auq h LEU 533 Cb 1.13 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1auq h LEU 533 CO 0.10 0.18 0.49 0.11 -0.34 0.00 0.00 178.44 178.98 1auq h LYS 534 N -0.35 0.93 -0.02 1.25 1.57 -0.80 -1.20 116.57 117.95 1auq h LYS 534 Ca -0.01 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1auq h LYS 534 Cb 0.30 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1auq h LYS 534 CO 0.02 0.62 -0.48 0.00 -0.57 0.00 0.00 179.45 179.03 1auq h ALA 535 N 1.55 1.17 -0.42 3.86 0.00 -0.95 0.81 119.26 125.27 1auq h ALA 535 Ca 0.29 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1auq h ALA 535 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1auq h ALA 535 CO -0.07 0.61 -0.00 0.35 0.00 0.00 0.00 179.25 180.13 1auq h PHE 536 N 0.04 0.82 -0.12 0.00 3.57 -0.17 -1.27 116.94 119.80 1auq h PHE 536 Ca -0.00 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 1auq h PHE 536 Cb 0.86 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1auq h PHE 536 CO 0.00 0.81 0.06 0.28 -2.23 0.00 0.00 178.31 177.24 1auq h VAL 537 N 0.58 1.09 -0.28 1.41 2.07 -0.51 -1.40 116.25 119.21 1auq h VAL 537 Ca 0.12 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1auq h VAL 537 Cb 0.49 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1auq h VAL 537 CO 0.02 0.08 0.09 0.58 0.02 0.00 0.00 177.57 178.37 1auq h VAL 538 N 0.09 0.92 0.00 2.57 2.07 -0.74 -1.27 116.25 119.89 1auq h VAL 538 Ca 0.04 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1auq h VAL 538 Cb 0.08 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1auq h VAL 538 CO -0.01 0.04 -0.01 -2.24 0.02 0.00 0.00 177.57 175.38 1auq h ASP 539 N 0.22 0.00 0.23 0.57 3.04 -1.09 -0.91 116.42 118.47 1auq h ASP 539 Ca 0.13 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.90 1auq h ASP 539 Cb 0.10 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 1auq h ASP 539 CO -0.13 0.01 -0.11 0.24 -2.04 0.00 0.00 179.24 177.21 1auq h MET 540 N 0.00 -0.29 -1.00 4.15 2.86 -0.61 -3.09 114.93 116.94 1auq h MET 540 Ca -0.00 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.81 1auq h MET 540 Cb 0.60 0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.23 1auq h MET 540 CO 0.00 0.01 0.63 0.52 1.06 0.00 0.00 176.91 179.12 1auq h MET 541 N -0.60 0.88 0.00 1.72 2.86 -0.82 -0.81 114.93 118.16 1auq h MET 541 Ca -0.03 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1auq h MET 541 Cb 0.44 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1auq h MET 541 CO 0.05 0.58 -0.12 0.93 1.06 0.00 0.00 176.91 179.41 1auq h GLU 542 N 0.90 0.00 -0.97 1.72 5.08 -1.10 -2.09 114.58 118.12 1auq h GLU 542 Ca 0.53 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 58.50 1auq h GLU 542 Cb 0.66 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.67 1auq h GLU 542 CO -0.31 0.12 0.50 0.54 -1.00 0.00 0.00 179.01 178.86 1auq n ARG 543 N -4.03 2.26 -4.51 2.33 1.74 -0.31 -4.49 116.66 109.65 1auq n ARG 543 Ca -0.02 -2.54 -0.21 0.00 -0.77 0.00 0.00 57.85 54.31 1auq n ARG 543 Cb 0.21 -2.01 -0.15 0.00 -1.02 0.00 0.00 32.46 29.49 1auq n ARG 543 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1auq s LEU 544 N -2.73 2.04 -0.95 0.55 1.02 -0.79 -0.52 118.68 117.29 1auq s LEU 544 Ca 0.48 -0.23 -0.17 0.00 0.02 0.00 0.00 54.13 54.22 1auq s LEU 544 Cb 0.40 -0.61 0.15 0.00 0.02 0.00 0.00 46.19 46.15 1auq s LEU 544 CO 0.10 0.14 1.12 -0.60 0.02 0.00 0.00 176.35 177.12 1auq s ARG 545 N -0.35 3.67 -0.14 1.70 3.52 0.54 -4.82 118.95 123.08 1auq s ARG 545 Ca 0.04 -1.97 -0.29 0.00 -0.13 0.00 0.00 55.73 53.38 1auq s ARG 545 Cb -0.05 -4.87 -0.02 0.00 -1.56 0.00 0.00 34.95 28.45 1auq s ARG 545 CO -0.00 -1.71 1.27 0.42 -0.81 0.00 0.00 175.30 174.47 1auq s ILE 546 N 2.19 4.23 -0.26 4.11 1.01 -1.26 -1.03 121.20 130.20 1auq s ILE 546 Ca 0.32 1.51 -0.28 0.00 0.00 0.00 0.00 60.65 62.19 1auq s ILE 546 Cb -0.05 -3.97 0.18 0.00 0.01 0.00 0.00 42.46 38.62 1auq s ILE 546 CO -0.08 -0.11 1.29 -0.55 0.00 0.00 0.00 174.94 175.49 1auq s SER 547 N 1.95 -0.12 0.56 3.58 0.15 0.89 -4.74 113.70 115.97 1auq s SER 547 Ca 0.56 0.16 0.25 0.00 0.70 0.00 0.00 55.95 57.62 1auq s SER 547 Cb -0.23 0.13 1.49 0.00 -1.71 0.00 0.00 66.02 65.71 1auq s SER 547 CO 0.17 -0.09 2.06 -0.61 1.20 0.00 0.00 173.24 175.96 1auq h GLN 548 N 2.44 0.00 -0.02 5.44 5.75 -1.93 0.28 115.11 127.07 1auq h GLN 548 Ca -0.14 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1auq h GLN 548 Cb 1.18 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.73 1auq h GLN 548 CO 0.22 0.00 -0.24 1.63 -2.65 0.00 0.00 178.83 177.79 1auq n LYS 549 N -4.12 1.57 0.00 1.69 4.76 -1.26 -4.88 118.16 115.91 1auq n LYS 549 Ca 0.04 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.25 1auq n LYS 549 Cb 0.40 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1auq n LYS 549 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1auq n TRP 550 N 0.36 0.00 -3.79 2.13 7.02 0.98 -4.85 117.44 119.28 1auq n TRP 550 Ca 0.12 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.24 1auq n TRP 550 Cb 0.48 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.26 1auq n TRP 550 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1auq s VAL 551 N 1.49 4.80 0.01 -0.99 1.01 -0.20 -2.28 120.40 124.24 1auq s VAL 551 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1auq s VAL 551 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1auq s VAL 551 CO 0.00 0.36 0.03 -0.13 0.00 0.00 0.00 175.10 175.36 1auq s ARG 552 N 1.17 2.87 0.08 2.72 0.52 0.23 -0.07 118.95 126.47 1auq s ARG 552 Ca 0.05 -0.58 0.06 0.00 -0.52 0.00 0.00 55.73 54.75 1auq s ARG 552 Cb -0.14 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 1auq s ARG 552 CO 0.04 0.63 -0.17 0.14 0.02 0.00 0.00 175.30 175.96 1auq s VAL 553 N -1.14 1.36 0.03 3.52 -7.23 -1.26 -0.26 120.40 115.42 1auq s VAL 553 Ca 0.21 -1.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.00 1auq s VAL 553 Cb -0.12 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 1auq s VAL 553 CO 0.12 -0.16 -0.09 0.00 -0.31 0.00 0.00 175.10 174.67 1auq s ALA 554 N -1.23 0.71 -0.09 1.32 0.00 -0.61 -3.63 121.76 118.22 1auq s ALA 554 Ca 0.02 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 1auq s ALA 554 Cb -0.10 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1auq s ALA 554 CO 0.03 0.08 -0.07 0.08 0.00 0.00 0.00 175.76 175.88 1auq s VAL 555 N -0.90 0.90 -0.07 0.00 1.01 -0.54 -0.92 120.40 119.88 1auq s VAL 555 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1auq s VAL 555 Cb -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1auq s VAL 555 CO 0.01 0.34 -0.06 -0.69 0.00 0.00 0.00 175.10 174.69 1auq s VAL 556 N 1.54 0.77 -0.17 2.92 1.01 -0.10 -1.08 120.40 125.29 1auq s VAL 556 Ca 0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 1auq s VAL 556 Cb -0.13 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1auq s VAL 556 CO -0.05 0.30 0.29 -0.70 0.00 0.00 0.00 175.10 174.94 1auq s GLU 557 N 1.28 4.24 0.12 2.72 -6.30 -0.47 -0.04 118.70 120.24 1auq s GLU 557 Ca -0.04 0.07 0.11 0.00 -2.50 0.00 0.00 54.97 52.61 1auq s GLU 557 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 34.13 30.51 1auq s GLU 557 CO -0.02 0.19 -0.27 1.52 0.02 0.00 0.00 175.26 176.70 1auq s TYR 558 N 0.61 2.31 0.00 5.30 1.13 0.15 -1.20 117.35 125.66 1auq s TYR 558 Ca 0.16 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.44 1auq s TYR 558 Cb -0.13 -1.26 0.00 0.00 -1.10 0.00 0.00 41.96 39.47 1auq s TYR 558 CO 0.04 0.32 0.00 -2.39 -2.51 0.00 0.00 175.55 171.01 1auq n HIS 559 N 0.98 0.00 -0.11 -3.49 1.44 -1.26 0.54 115.22 113.32 1auq n HIS 559 Ca -0.18 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.41 1auq n HIS 559 Cb 0.53 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.61 1auq n HIS 559 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1auq h ASP 560 N 0.00 0.65 -0.62 4.39 3.58 -1.88 0.27 116.42 122.82 1auq h ASP 560 Ca 0.00 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1auq h ASP 560 Cb 0.00 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1auq h ASP 560 CO 0.00 0.88 0.00 0.61 -2.88 0.00 0.00 179.24 177.85 1auq n GLY 561 N -0.12 6.84 3.27 -0.78 0.00 -1.26 -4.73 105.19 108.40 1auq n GLY 561 Ca -0.03 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 1auq n GLY 561 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1auq s SER 562 N 1.00 2.90 -0.35 1.61 0.01 -1.26 -4.52 113.70 113.09 1auq s SER 562 Ca 0.00 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.81 1auq s SER 562 Cb 0.00 -0.54 0.10 0.00 0.21 0.00 0.00 66.02 65.78 1auq s SER 562 CO 0.00 0.27 0.08 -1.00 0.41 0.00 0.00 173.24 173.00 1auq s HIS 563 N -0.37 3.62 -0.17 2.43 3.76 -0.34 -5.00 115.29 119.22 1auq s HIS 563 Ca 0.03 -2.65 -0.21 0.00 -0.15 0.00 0.00 55.06 52.09 1auq s HIS 563 Cb -0.11 -2.87 -0.03 0.00 1.11 0.00 0.00 32.58 30.68 1auq s HIS 563 CO 0.01 -0.94 0.63 0.00 -0.85 0.00 0.00 174.74 173.60 1auq s ALA 564 N 1.03 3.51 -0.19 -1.40 0.00 -1.26 -1.37 121.76 122.08 1auq s ALA 564 Ca 0.07 -0.20 0.16 0.00 0.00 0.00 0.00 51.96 52.00 1auq s ALA 564 Cb -0.20 -2.95 -0.24 0.00 0.00 0.00 0.00 23.12 19.72 1auq s ALA 564 CO -0.06 -0.45 0.12 0.66 0.00 0.00 0.00 175.76 176.03 1auq n TYR 565 N 4.77 0.11 -4.39 0.00 4.02 -0.24 -4.93 117.16 116.50 1auq n TYR 565 Ca -0.02 0.04 -0.23 0.00 -0.01 0.00 0.00 57.90 57.68 1auq n TYR 565 Cb 0.50 -1.02 -0.17 0.00 -0.02 0.00 0.00 39.34 38.63 1auq n TYR 565 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1auq s ILE 566 N -2.50 0.94 0.14 -0.72 -1.09 -1.06 -4.92 121.20 112.00 1auq s ILE 566 Ca -0.11 -0.35 0.04 0.00 -2.23 0.00 0.00 60.65 58.01 1auq s ILE 566 Cb 0.06 -0.90 -0.04 0.00 -1.58 0.00 0.00 42.46 40.01 1auq s ILE 566 CO 0.82 0.32 0.12 -0.83 -1.23 0.00 0.00 174.94 174.14 1auq s GLY 567 N 0.86 1.80 0.28 6.18 0.00 -1.26 -1.47 107.32 113.71 1auq s GLY 567 Ca -0.11 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.47 1auq s GLY 567 CO 0.01 -1.15 1.82 1.41 0.00 0.00 0.00 173.10 175.19 1auq h LEU 568 N 2.65 0.87 -0.09 0.66 3.38 -1.95 -1.02 115.31 119.81 1auq h LEU 568 Ca -0.47 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1auq h LEU 568 Cb 1.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1auq h LEU 568 CO 0.64 0.43 0.00 0.29 0.09 0.00 0.00 178.44 179.89 1auq n LYS 569 N -4.67 1.06 -1.78 1.13 5.02 -1.26 -4.55 118.16 113.11 1auq n LYS 569 Ca 0.20 -0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 1auq n LYS 569 Cb 0.40 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1auq n LYS 569 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1auq s ASP 570 N -1.84 5.57 -1.11 4.39 1.01 -0.39 -4.88 116.67 119.42 1auq s ASP 570 Ca 0.40 1.54 -0.16 0.00 0.71 0.00 0.00 52.55 55.04 1auq s ASP 570 Cb 0.19 -2.52 0.15 0.00 1.01 0.00 0.00 42.92 41.75 1auq s ASP 570 CO 0.31 -1.93 1.35 -0.60 0.21 0.00 0.00 175.17 174.51 1auq s ARG 571 N 6.20 3.89 0.12 8.23 3.52 -1.26 -4.92 118.95 134.73 1auq s ARG 571 Ca 0.91 -2.21 0.04 0.00 -0.13 0.00 0.00 55.73 54.34 1auq s ARG 571 Cb -0.27 -5.05 -0.04 0.00 -1.56 0.00 0.00 34.95 28.03 1auq s ARG 571 CO 0.33 -1.81 -0.11 0.15 -0.81 0.00 0.00 175.30 173.05 1auq s LYS 572 N 2.25 0.95 0.58 5.12 1.02 -1.26 -5.13 119.74 123.26 1auq s LYS 572 Ca 0.40 -1.27 -0.18 0.00 0.02 0.00 0.00 55.97 54.94 1auq s LYS 572 Cb -0.03 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 1auq s LYS 572 CO -0.03 0.10 1.11 -0.98 -0.92 0.00 0.00 175.35 174.62 1auq s ARG 573 N -3.10 3.21 0.38 1.68 1.70 -1.26 -4.85 118.95 116.71 1auq s ARG 573 Ca 0.10 1.48 0.16 0.00 -0.47 0.00 0.00 55.73 57.00 1auq s ARG 573 Cb -0.01 -2.00 1.03 0.00 -0.57 0.00 0.00 34.95 33.40 1auq s ARG 573 CO 0.01 -0.94 1.77 -1.35 -1.08 0.00 0.00 175.30 173.71 1auq h PRO 574 N 0.78 0.45 -0.42 3.89 0.11 -1.85 -1.26 132.00 133.70 1auq h PRO 574 Ca -0.49 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1auq h PRO 574 Cb 1.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1auq h PRO 574 CO 0.56 0.30 -0.21 0.66 -0.21 0.00 0.00 178.00 179.10 1auq h SER 575 N 0.46 0.85 -0.29 -2.05 4.64 -1.99 -0.69 113.55 114.48 1auq h SER 575 Ca 0.59 -0.31 -0.18 0.00 -0.47 0.00 0.00 61.79 61.42 1auq h SER 575 Cb 1.37 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1auq h SER 575 CO -0.32 1.04 -0.53 -0.08 -0.87 0.00 0.00 176.83 176.07 1auq h GLU 576 N 0.73 0.87 -0.48 4.77 4.81 -1.62 -1.89 114.58 121.78 1auq h GLU 576 Ca 0.10 -0.55 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1auq h GLU 576 Cb 0.74 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 1auq h GLU 576 CO 0.06 1.18 0.30 -0.07 -0.73 0.00 0.00 179.01 179.76 1auq h LEU 577 N 0.66 0.51 -1.26 1.64 3.38 -1.15 -1.07 115.31 118.02 1auq h LEU 577 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1auq h LEU 577 Cb 1.14 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1auq h LEU 577 CO 0.12 0.37 0.40 0.03 0.09 0.00 0.00 178.44 179.44 1auq h ARG 578 N 0.61 0.90 -0.42 1.13 3.08 -0.99 -1.45 114.38 117.25 1auq h ARG 578 Ca 0.18 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1auq h ARG 578 Cb -0.04 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1auq h ARG 578 CO -0.06 0.64 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.39 1auq h ARG 579 N 0.92 0.75 -0.73 0.04 2.43 -0.62 -2.08 114.38 115.09 1auq h ARG 579 Ca 0.24 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1auq h ARG 579 Cb -0.03 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 1auq h ARG 579 CO -0.04 0.83 0.48 0.82 -1.51 0.00 0.00 179.97 180.54 1auq h ILE 580 N 0.59 1.16 -0.82 1.20 2.04 -0.57 -1.76 117.51 119.35 1auq h ILE 580 Ca 0.12 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1auq h ILE 580 Cb 0.49 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1auq h ILE 580 CO 0.02 0.18 0.43 0.00 0.00 0.00 0.00 178.15 178.77 1auq h ALA 581 N 1.28 1.05 0.00 1.87 0.00 -0.99 -1.94 119.26 120.53 1auq h ALA 581 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1auq h ALA 581 Cb -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1auq h ALA 581 CO -0.07 0.58 0.00 0.66 0.00 0.00 0.00 179.25 180.42 1auq h SER 582 N 1.15 0.00 0.04 0.00 4.64 -0.94 -2.82 113.55 115.61 1auq h SER 582 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1auq h SER 582 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1auq h SER 582 CO -0.04 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.79 1auq n GLN 583 N -2.61 1.58 -1.58 4.77 6.02 -0.70 -4.94 117.38 119.93 1auq n GLN 583 Ca 0.03 -1.10 -0.50 0.00 -0.01 0.00 0.00 57.00 55.42 1auq n GLN 583 Cb 0.37 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 30.11 1auq n GLN 583 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1auq n VAL 584 N 0.25 0.48 -2.58 5.09 0.31 -0.90 -4.87 118.33 116.12 1auq n VAL 584 Ca 0.15 -0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 63.94 1auq n VAL 584 Cb 0.43 -0.81 -0.03 0.00 -0.91 0.00 0.00 33.84 32.52 1auq n VAL 584 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1auq s LYS 585 N 0.02 4.45 -0.13 5.55 -0.14 -1.26 -5.00 119.74 123.23 1auq s LYS 585 Ca 0.79 1.56 -0.29 0.00 -1.36 0.00 0.00 55.97 56.66 1auq s LYS 585 Cb -0.91 -3.47 -0.03 0.00 -1.68 0.00 0.00 37.83 31.74 1auq s LYS 585 CO 0.50 -0.25 1.51 -0.47 -0.76 0.00 0.00 175.35 175.88 1auq s TYR 586 N 1.53 2.29 -0.20 3.18 5.04 -1.26 -4.89 117.35 123.04 1auq s TYR 586 Ca 0.54 0.54 -0.19 0.00 -2.44 0.00 0.00 57.07 55.52 1auq s TYR 586 Cb -0.23 -3.80 -0.20 0.00 0.35 0.00 0.00 41.96 38.07 1auq s TYR 586 CO 0.25 -2.93 0.23 0.00 -1.34 0.00 0.00 175.55 171.75 1auq n ALA 587 N 7.26 0.81 -3.22 3.97 0.00 -1.26 -5.03 120.51 123.04 1auq n ALA 587 Ca 0.16 -0.52 -0.16 0.00 0.00 0.00 0.00 53.44 52.93 1auq n ALA 587 Cb 0.44 -0.57 0.07 0.00 0.00 0.00 0.00 19.45 19.39 1auq n ALA 587 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1auq n GLY 588 N 1.53 -0.20 3.80 0.00 0.00 -0.28 -4.97 105.19 105.06 1auq n GLY 588 Ca -0.33 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1auq n GLY 588 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1auq s SER 589 N -3.72 5.27 0.44 1.61 0.15 0.15 -4.07 113.70 113.54 1auq s SER 589 Ca 0.20 1.75 0.24 0.00 0.70 0.00 0.00 55.95 58.84 1auq s SER 589 Cb -0.09 -2.52 0.44 0.00 -1.71 0.00 0.00 66.02 62.14 1auq s SER 589 CO 0.57 -1.52 1.64 1.56 1.20 0.00 0.00 173.24 176.70 1auq h GLN 590 N -0.43 0.00 -3.69 5.44 4.20 -1.94 0.42 115.11 119.11 1auq h GLN 590 Ca -0.45 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 57.87 1auq h GLN 590 Cb 1.22 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 28.64 1auq h GLN 590 CO 0.55 0.03 -0.76 0.08 -0.67 0.00 0.00 178.83 178.07 1auq s VAL 591 N -3.25 0.25 -0.31 -0.54 1.01 -1.26 -4.87 120.40 111.43 1auq s VAL 591 Ca 0.06 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1auq s VAL 591 Cb 0.06 -0.39 0.09 0.00 0.00 0.00 0.00 36.38 36.13 1auq s VAL 591 CO 0.66 0.21 0.02 0.00 0.00 0.00 0.00 175.10 175.99 1auq s ALA 592 N 1.56 2.56 -0.32 5.51 0.00 -1.26 -2.56 121.76 127.26 1auq s ALA 592 Ca -0.02 -2.17 -0.24 0.00 0.00 0.00 0.00 51.96 49.52 1auq s ALA 592 Cb -0.13 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1auq s ALA 592 CO -0.03 -1.56 0.83 0.45 0.00 0.00 0.00 175.76 175.46 1auq s SER 593 N 1.08 6.68 0.12 0.00 0.15 0.95 -4.18 113.70 118.50 1auq s SER 593 Ca 0.06 0.66 -0.00 0.00 0.70 0.00 0.00 55.95 57.36 1auq s SER 593 Cb -0.19 -2.43 -0.13 0.00 -1.71 0.00 0.00 66.02 61.56 1auq s SER 593 CO -0.10 -0.68 1.28 0.71 1.20 0.00 0.00 173.24 175.65 1auq h THR 594 N 5.65 1.50 -0.03 6.45 1.35 -1.95 -2.21 112.91 123.67 1auq h THR 594 Ca -0.24 -2.81 -0.00 0.00 -0.55 0.00 0.00 66.41 62.80 1auq h THR 594 Cb 1.09 2.65 -0.00 0.00 -1.73 0.00 0.00 68.15 70.16 1auq h THR 594 CO 0.91 0.82 0.01 0.28 -0.25 0.00 0.00 175.52 177.29 1auq h SER 595 N 0.11 0.05 0.36 5.36 0.02 -1.91 0.50 113.55 118.03 1auq h SER 595 Ca -0.08 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 1auq h SER 595 Cb 1.69 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.21 1auq h SER 595 CO 0.16 0.25 -0.23 -0.33 -1.14 0.00 0.00 176.83 175.54 1auq h GLU 596 N -0.16 0.00 0.00 3.45 3.07 -1.84 0.39 114.58 119.49 1auq h GLU 596 Ca 0.01 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.68 1auq h GLU 596 Cb 0.22 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 1auq h GLU 596 CO -0.00 0.23 -1.10 -0.24 -1.40 0.00 0.00 179.01 176.50 1auq h VAL 597 N 0.00 1.10 0.00 3.13 3.04 -1.18 -2.45 116.25 119.89 1auq h VAL 597 Ca -0.00 -2.71 -0.14 0.00 -1.01 0.00 0.00 66.70 62.85 1auq h VAL 597 Cb 0.47 2.50 -0.02 0.00 -2.01 0.00 0.00 31.29 32.23 1auq h VAL 597 CO 0.03 0.62 -0.65 -0.07 -1.01 0.00 0.00 177.57 176.50 1auq h LEU 598 N 0.00 0.00 -0.56 3.16 3.38 -0.52 -2.69 115.31 118.09 1auq h LEU 598 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1auq h LEU 598 Cb 1.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 1auq h LEU 598 CO 0.09 0.65 -0.08 0.50 0.09 0.00 0.00 178.44 179.69 1auq h LYS 599 N 0.00 1.04 -0.34 1.13 3.64 -0.87 -1.97 116.57 119.20 1auq h LYS 599 Ca -0.01 -0.37 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1auq h LYS 599 Cb 1.28 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1auq h LYS 599 CO 0.08 1.06 -0.03 -0.92 -2.27 0.00 0.00 179.45 177.38 1auq h TYR 600 N 0.93 0.56 -0.22 1.91 3.20 -1.27 -0.71 116.97 121.36 1auq h TYR 600 Ca 0.15 -0.06 -0.18 0.00 3.14 0.00 0.00 58.73 61.77 1auq h TYR 600 Cb 0.64 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1auq h TYR 600 CO 0.04 0.56 -0.59 1.15 -1.64 0.00 0.00 178.16 177.69 1auq h THR 601 N 0.51 1.30 0.07 1.81 2.02 -1.25 0.23 112.91 117.59 1auq h THR 601 Ca 0.11 -1.81 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 1auq h THR 601 Cb 0.37 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1auq h THR 601 CO 0.01 0.58 -0.03 0.25 0.37 0.00 0.00 175.52 176.70 1auq h LEU 602 N 0.55 -0.08 0.00 2.58 5.85 -1.14 -0.01 115.31 123.06 1auq h LEU 602 Ca 0.00 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1auq h LEU 602 Cb 1.18 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1auq h LEU 602 CO 0.12 0.54 -1.22 0.49 -0.34 0.00 0.00 178.44 178.03 1auq n PHE 603 N -4.83 0.31 -0.05 1.25 3.72 -0.29 -3.38 117.46 114.18 1auq n PHE 603 Ca -0.08 0.09 -0.06 0.00 -0.05 0.00 0.00 57.45 57.35 1auq n PHE 603 Cb 0.30 -0.51 -0.06 0.00 -0.94 0.00 0.00 39.48 38.27 1auq n PHE 603 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1auq n GLN 604 N -2.11 1.63 -0.07 -1.08 1.13 0.69 -4.25 117.38 113.32 1auq n GLN 604 Ca 0.00 0.02 -0.22 0.00 -1.94 0.00 0.00 57.00 54.87 1auq n GLN 604 Cb 0.48 -1.22 -0.13 0.00 0.11 0.00 0.00 30.24 29.48 1auq n GLN 604 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1auq n ILE 605 N -2.53 1.63 -2.08 5.09 5.41 -0.44 -4.45 119.36 122.00 1auq n ILE 605 Ca -0.17 -0.50 -0.27 0.00 1.00 0.00 0.00 62.75 62.81 1auq n ILE 605 Cb 0.75 -1.71 0.02 0.00 -0.71 0.00 0.00 39.64 37.99 1auq n ILE 605 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1auq n PHE 606 N -3.67 3.03 0.05 1.39 3.72 -0.03 -4.79 117.46 117.16 1auq n PHE 606 Ca -0.39 -2.61 -0.11 0.00 -0.05 0.00 0.00 57.45 54.30 1auq n PHE 606 Cb 0.95 -0.45 -0.04 0.00 -0.94 0.00 0.00 39.48 39.00 1auq n PHE 606 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1auq h SER 607 N 2.35 -0.77 -3.33 4.37 0.87 -1.73 -3.41 113.55 111.90 1auq h SER 607 Ca 0.39 0.11 -0.22 0.00 -1.23 0.00 0.00 61.79 60.84 1auq h SER 607 Cb 1.15 0.32 -0.31 0.00 -0.44 0.00 0.00 62.40 63.12 1auq h SER 607 CO 0.94 -0.32 -0.53 -0.75 -0.53 0.00 0.00 176.83 175.64 1auq s LYS 608 N -6.06 0.16 -0.63 2.24 2.47 -1.26 -4.99 119.74 111.66 1auq s LYS 608 Ca -0.15 0.50 -0.26 0.00 -1.56 0.00 0.00 55.97 54.50 1auq s LYS 608 Cb 0.09 -0.14 -0.11 0.00 -1.46 0.00 0.00 37.83 36.21 1auq s LYS 608 CO 0.66 -0.18 2.43 -0.89 0.16 0.00 0.00 175.35 177.53 1auq n ILE 609 N 4.36 -0.05 1.09 5.43 2.08 -1.26 -4.81 119.36 126.20 1auq n ILE 609 Ca -0.23 -0.66 0.14 0.00 0.56 0.00 0.00 62.75 62.55 1auq n ILE 609 Cb 0.52 -2.35 0.52 0.00 -0.75 0.00 0.00 39.64 37.58 1auq n ILE 609 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1auq n ASP 610 N 16.42 0.21 -3.27 4.38 5.75 -1.26 -4.25 116.55 134.52 1auq n ASP 610 Ca 0.43 0.09 -0.25 0.00 -0.01 0.00 0.00 54.79 55.04 1auq n ASP 610 Cb 0.47 -0.21 -0.08 0.00 -1.03 0.00 0.00 41.12 40.27 1auq n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1auq n ARG 611 N -1.40 0.95 0.00 0.11 5.12 -1.26 -4.96 116.66 115.22 1auq n ARG 611 Ca 0.08 -3.47 0.07 0.00 -1.93 0.00 0.00 57.85 52.59 1auq n ARG 611 Cb 0.32 -1.47 0.34 0.00 -1.16 0.00 0.00 32.46 30.49 1auq n ARG 611 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1auq n PRO 612 N 1.54 0.18 0.00 5.56 -0.04 -1.26 -2.06 135.00 138.92 1auq n PRO 612 Ca 0.24 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1auq n PRO 612 Cb 0.50 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.82 1auq n PRO 612 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1auq n GLU 613 N -1.29 1.37 -4.42 0.54 0.00 -1.26 -4.89 120.64 110.69 1auq n GLU 613 Ca 0.06 -0.90 -0.30 0.00 0.00 0.00 0.00 57.16 56.02 1auq n GLU 613 Cb 0.11 -1.48 -0.12 0.00 0.00 0.00 0.00 31.44 29.95 1auq n GLU 613 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1auq s ALA 614 N -2.25 2.70 0.55 -1.84 0.00 -0.88 -4.76 121.76 115.29 1auq s ALA 614 Ca 0.29 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.81 1auq s ALA 614 Cb 0.20 -0.73 -0.06 0.00 0.00 0.00 0.00 23.12 22.54 1auq s ALA 614 CO 0.43 0.59 1.04 -1.12 0.00 0.00 0.00 175.76 176.70 1auq s SER 615 N -1.88 6.07 -0.20 0.00 0.01 -0.60 -4.81 113.70 112.29 1auq s SER 615 Ca 0.17 1.79 -0.02 0.00 1.31 0.00 0.00 55.95 59.21 1auq s SER 615 Cb -0.11 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 1auq s SER 615 CO 0.09 -0.97 -0.10 -0.13 0.41 0.00 0.00 173.24 172.55 1auq s ARG 616 N -3.88 3.28 -0.05 12.44 0.52 -1.26 -0.44 118.95 129.56 1auq s ARG 616 Ca 0.64 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 55.18 1auq s ARG 616 Cb -0.15 -2.84 0.02 0.00 0.52 0.00 0.00 34.95 32.50 1auq s ARG 616 CO 0.32 -0.14 -0.09 0.42 0.02 0.00 0.00 175.30 175.84 1auq s ILE 617 N 1.26 0.85 -0.22 1.52 1.01 -0.31 -0.59 121.20 124.73 1auq s ILE 617 Ca 0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 1auq s ILE 617 Cb -0.14 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 1auq s ILE 617 CO -0.04 0.29 -0.04 0.00 0.00 0.00 0.00 174.94 175.15 1auq s ALA 618 N 0.77 2.82 -0.56 9.38 0.00 0.60 0.41 121.76 135.19 1auq s ALA 618 Ca -0.13 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 50.53 1auq s ALA 618 Cb -0.15 -1.69 0.14 0.00 0.00 0.00 0.00 23.12 21.41 1auq s ALA 618 CO 0.02 -0.38 0.52 -1.17 0.00 0.00 0.00 175.76 174.74 1auq s LEU 619 N 1.40 6.22 -0.62 0.00 2.96 0.15 -0.71 118.68 128.08 1auq s LEU 619 Ca 0.05 -1.84 -0.23 0.00 -0.22 0.00 0.00 54.13 51.88 1auq s LEU 619 Cb -0.14 -2.21 0.06 0.00 0.50 0.00 0.00 46.19 44.39 1auq s LEU 619 CO -0.03 -0.84 0.98 -0.22 -1.32 0.00 0.00 176.35 174.92 1auq s LEU 620 N 1.52 4.19 -0.58 -0.68 2.96 -0.63 -1.34 118.68 124.12 1auq s LEU 620 Ca 0.04 -0.71 -0.23 0.00 -0.22 0.00 0.00 54.13 53.01 1auq s LEU 620 Cb -0.29 -2.58 0.05 0.00 0.50 0.00 0.00 46.19 43.88 1auq s LEU 620 CO 0.02 -1.39 0.88 -0.76 -1.32 0.00 0.00 176.35 173.79 1auq s LEU 621 N 4.13 4.38 -0.19 -0.68 1.43 -0.44 0.20 118.68 127.52 1auq s LEU 621 Ca 0.26 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1auq s LEU 621 Cb -0.15 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1auq s LEU 621 CO 0.14 -1.23 0.01 -0.04 0.23 0.00 0.00 176.35 175.46 1auq s MET 622 N 3.71 3.71 0.00 1.70 -1.94 0.34 -2.39 119.30 124.43 1auq s MET 622 Ca 0.24 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 1auq s MET 622 Cb -0.15 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 33.58 1auq s MET 622 CO 0.15 0.10 0.42 0.00 -0.01 0.00 0.00 175.02 175.67 1auq n ALA 623 N 4.02 2.32 -3.15 3.03 0.00 -1.26 -0.15 120.51 125.31 1auq n ALA 623 Ca -0.17 -0.42 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 1auq n ALA 623 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1auq n ALA 623 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1auq n SER 624 N -0.11 -0.17 -3.82 0.00 3.41 -1.25 -3.37 113.62 108.31 1auq n SER 624 Ca 0.00 -1.27 -0.18 0.00 -0.26 0.00 0.00 58.87 57.16 1auq n SER 624 Cb 0.01 0.33 -0.16 0.00 -0.26 0.00 0.00 64.21 64.13 1auq n SER 624 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1auq s GLN 625 N -2.12 0.43 0.62 4.33 -2.07 -1.18 -0.64 119.66 119.02 1auq s GLN 625 Ca 0.04 0.05 -0.14 0.00 -1.82 0.00 0.00 55.36 53.50 1auq s GLN 625 Cb -0.00 -0.61 -0.03 0.00 -1.09 0.00 0.00 33.01 31.28 1auq s GLN 625 CO 0.03 -0.15 1.04 -1.83 -1.32 0.00 0.00 175.29 173.07 1auq s GLU 626 N 1.15 3.31 0.29 9.60 -1.05 -1.26 -4.88 118.70 125.87 1auq s GLU 626 Ca -0.08 1.04 -0.30 0.00 -0.15 0.00 0.00 54.97 55.48 1auq s GLU 626 Cb -0.13 -2.04 -0.11 0.00 -0.44 0.00 0.00 34.13 31.40 1auq s GLU 626 CO -0.02 -0.80 1.57 -1.25 0.95 0.00 0.00 175.26 175.72 1auq s PRO 627 N -4.51 4.13 0.38 -4.83 0.04 -1.26 -4.86 135.00 124.10 1auq s PRO 627 Ca 0.60 2.55 0.24 0.00 0.04 0.00 0.00 61.00 64.43 1auq s PRO 627 Cb -0.14 -3.03 1.37 0.00 0.04 0.00 0.00 34.50 32.74 1auq s PRO 627 CO 0.44 -0.61 1.56 0.94 0.04 0.00 0.00 177.00 179.37 1auq n GLN 628 N 2.10 -0.05 0.29 4.56 -0.06 -1.26 -0.07 117.38 122.89 1auq n GLN 628 Ca 0.08 1.33 0.15 0.00 -2.00 0.00 0.00 57.00 56.56 1auq n GLN 628 Cb 0.38 -2.45 0.86 0.00 -4.06 0.00 0.00 30.24 24.97 1auq n GLN 628 CO 0.00 0.00 0.00 0.07 -0.20 0.00 0.00 177.06 176.93 1auq h ARG 629 N 0.00 0.00 -0.01 3.69 0.11 -2.05 -1.97 114.38 114.16 1auq h ARG 629 Ca 0.85 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.93 1auq h ARG 629 Cb 2.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.45 1auq h ARG 629 CO -0.68 0.05 -0.39 -1.33 0.10 0.00 0.00 179.97 177.72 1auq n MET 630 N -3.63 0.59 -0.18 0.08 2.81 0.90 -4.17 117.12 113.52 1auq n MET 630 Ca -0.02 -0.37 0.08 0.00 -1.81 0.00 0.00 57.70 55.58 1auq n MET 630 Cb 0.16 -1.49 0.25 0.00 -0.71 0.00 0.00 33.22 31.42 1auq n MET 630 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1auq n SER 631 N -0.88 2.28 -0.33 7.83 7.64 -0.74 -4.58 113.62 124.84 1auq n SER 631 Ca 0.10 -1.92 0.08 0.00 1.01 0.00 0.00 58.87 58.14 1auq n SER 631 Cb 0.35 -0.24 0.27 0.00 -1.01 0.00 0.00 64.21 63.59 1auq n SER 631 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1auq h ARG 632 N 2.66 0.90 -0.24 1.43 3.08 -1.72 -2.51 114.38 117.98 1auq h ARG 632 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1auq h ARG 632 Cb 0.60 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1auq h ARG 632 CO 0.00 0.59 0.00 0.09 -1.07 0.00 0.00 179.97 179.58 1auq n ASN 633 N -4.58 3.05 -0.40 7.04 3.02 -1.26 -4.72 115.26 117.41 1auq n ASN 633 Ca 0.18 -1.90 -0.11 0.00 -0.03 0.00 0.00 54.58 52.72 1auq n ASN 633 Cb 0.36 -0.15 -0.09 0.00 -0.61 0.00 0.00 39.78 39.29 1auq n ASN 633 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1auq h PHE 634 N 3.92 -1.84 -0.33 3.10 3.57 -1.74 0.34 116.94 123.96 1auq h PHE 634 Ca 0.00 0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1auq h PHE 634 Cb 0.88 0.93 -0.02 0.00 2.79 0.00 0.00 35.95 40.53 1auq h PHE 634 CO 0.15 -0.38 0.16 0.28 -2.23 0.00 0.00 178.31 176.29 1auq h VAL 635 N -0.03 1.12 -0.60 1.41 2.07 -1.84 -2.03 116.25 116.34 1auq h VAL 635 Ca 0.16 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1auq h VAL 635 Cb 0.44 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1auq h VAL 635 CO -0.92 0.13 0.26 0.03 0.02 0.00 0.00 177.57 177.09 1auq h ARG 636 N 0.46 0.89 -0.46 1.57 3.08 -1.32 0.32 114.38 118.91 1auq h ARG 636 Ca 0.12 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1auq h ARG 636 Cb 0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1auq h ARG 636 CO -0.02 0.74 -0.15 1.88 -1.07 0.00 0.00 179.97 181.36 1auq h TYR 637 N 0.83 0.98 -0.28 3.04 0.05 -0.54 0.10 116.97 121.14 1auq h TYR 637 Ca 0.20 -0.20 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 1auq h TYR 637 Cb 0.17 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 1auq h TYR 637 CO 0.01 0.96 -0.41 0.28 -1.05 0.00 0.00 178.16 177.94 1auq h VAL 638 N 0.78 1.29 -0.04 -2.88 2.07 -0.87 -1.11 116.25 115.49 1auq h VAL 638 Ca 0.12 -1.59 -0.14 0.00 0.82 0.00 0.00 66.70 65.91 1auq h VAL 638 Cb 0.67 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1auq h VAL 638 CO 0.05 0.51 -0.60 1.56 0.02 0.00 0.00 177.57 179.11 1auq h GLN 639 N 0.57 0.14 -0.05 1.57 4.20 -0.17 -1.96 115.11 119.41 1auq h GLN 639 Ca 0.04 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1auq h GLN 639 Cb 0.95 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1auq h GLN 639 CO 0.09 0.70 0.02 0.78 -0.67 0.00 0.00 178.83 179.74 1auq h GLY 640 N 1.59 0.07 2.00 3.46 0.00 -0.39 -2.06 103.07 107.75 1auq h GLY 640 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1auq h GLY 640 CO 0.09 0.04 -0.27 1.41 0.00 0.00 0.00 176.54 177.81 1auq h LEU 641 N -0.09 0.00 -0.79 3.11 3.38 -1.18 -2.54 115.31 117.19 1auq h LEU 641 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1auq h LEU 641 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1auq h LEU 641 CO -0.00 0.27 -0.11 0.50 0.09 0.00 0.00 178.44 179.18 1auq h LYS 642 N 0.00 0.79 -0.04 1.13 3.11 -0.98 0.40 116.57 120.97 1auq h LYS 642 Ca -0.00 -0.27 -0.14 0.00 -2.81 0.00 0.00 60.65 57.43 1auq h LYS 642 Cb 0.55 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 1auq h LYS 642 CO 0.03 0.87 -0.61 0.87 -2.81 0.00 0.00 179.45 177.80 1auq h LYS 643 N 0.71 0.16 -0.17 1.90 1.57 -0.97 -2.35 116.57 117.43 1auq h LYS 643 Ca 0.12 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1auq h LYS 643 Cb 0.60 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1auq h LYS 643 CO 0.04 0.72 0.00 1.63 -0.57 0.00 0.00 179.45 181.27 1auq n LYS 644 N -3.85 1.52 -2.94 3.15 5.02 -1.08 -4.92 118.16 115.06 1auq n LYS 644 Ca -0.02 -0.79 -0.21 0.00 -2.02 0.00 0.00 58.31 55.27 1auq n LYS 644 Cb 0.62 -1.28 0.03 0.00 -0.02 0.00 0.00 35.03 34.38 1auq n LYS 644 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1auq n LYS 645 N 0.06 -4.46 -3.29 1.97 4.76 -0.88 -4.96 118.16 111.36 1auq n LYS 645 Ca 0.12 0.85 -0.41 0.00 -2.87 0.00 0.00 58.31 56.00 1auq n LYS 645 Cb 0.22 -5.56 -0.08 0.00 -1.84 0.00 0.00 35.03 27.77 1auq n LYS 645 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1auq s VAL 646 N -3.13 5.07 -0.17 -0.18 1.01 0.14 -4.14 120.40 118.99 1auq s VAL 646 Ca 0.27 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.29 1auq s VAL 646 Cb -0.12 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1auq s VAL 646 CO 0.34 -0.14 0.98 -0.63 0.00 0.00 0.00 175.10 175.64 1auq s ILE 647 N 2.27 4.77 -0.34 2.22 -1.09 0.24 -4.15 121.20 125.12 1auq s ILE 647 Ca 0.17 1.94 -0.12 0.00 -2.23 0.00 0.00 60.65 60.41 1auq s ILE 647 Cb -0.16 -4.27 -0.01 0.00 -1.58 0.00 0.00 42.46 36.44 1auq s ILE 647 CO 0.12 -0.06 0.23 -0.69 -1.23 0.00 0.00 174.94 173.31 1auq s VAL 648 N 2.51 5.16 -0.52 2.92 1.01 -1.26 -0.29 120.40 129.93 1auq s VAL 648 Ca 0.44 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1auq s VAL 648 Cb -0.17 -3.65 0.13 0.00 0.00 0.00 0.00 36.38 32.70 1auq s VAL 648 CO 0.12 -0.00 0.38 -0.63 0.00 0.00 0.00 175.10 174.97 1auq s ILE 649 N 1.70 4.11 -0.05 2.22 1.01 0.11 -4.18 121.20 126.13 1auq s ILE 649 Ca 0.06 -2.10 -0.30 0.00 0.00 0.00 0.00 60.65 58.31 1auq s ILE 649 Cb -0.17 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1auq s ILE 649 CO 0.10 -0.80 1.33 -2.84 0.00 0.00 0.00 174.94 172.72 1auq s PRO 650 N 0.97 4.29 -0.34 2.79 0.02 -1.24 -1.61 135.00 139.88 1auq s PRO 650 Ca 0.09 1.83 -0.04 0.00 0.02 0.00 0.00 61.00 62.90 1auq s PRO 650 Cb -0.23 -3.63 0.06 0.00 0.02 0.00 0.00 34.50 30.72 1auq s PRO 650 CO -0.02 -0.58 0.10 0.08 -0.33 0.00 0.00 177.00 176.24 1auq s VAL 651 N 2.65 3.41 -0.15 3.83 1.01 0.13 -0.94 120.40 130.33 1auq s VAL 651 Ca 0.60 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 1auq s VAL 651 Cb -0.28 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1auq s VAL 651 CO 0.23 -0.28 0.62 -0.83 0.00 0.00 0.00 175.10 174.84 1auq s GLY 652 N 1.49 2.24 -0.29 4.51 0.00 0.55 -0.51 107.32 115.31 1auq s GLY 652 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.58 1auq s GLY 652 CO -0.00 1.19 -0.04 -0.42 0.00 0.00 0.00 173.10 173.83 1auq s ILE 653 N 1.44 2.27 0.00 0.90 1.01 0.78 0.10 121.20 127.70 1auq s ILE 653 Ca 0.30 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 59.08 1auq s ILE 653 Cb -0.16 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1auq s ILE 653 CO 0.12 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.43 1auq n GLY 654 N 4.38 -0.07 0.30 6.18 0.00 -0.04 -4.41 105.19 111.53 1auq n GLY 654 Ca -0.08 -1.79 0.04 0.00 0.00 0.00 0.00 46.02 44.20 1auq n GLY 654 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1auq h PRO 655 N 0.00 0.47 -0.00 1.61 0.11 -1.87 -2.82 132.00 129.50 1auq h PRO 655 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1auq h PRO 655 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1auq h PRO 655 CO 0.00 0.33 -0.05 0.72 -0.21 0.00 0.00 178.00 178.79 1auq n HIS 656 N -4.47 0.00 -1.84 0.65 8.25 -1.26 -4.90 115.22 111.66 1auq n HIS 656 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 1auq n HIS 656 Cb 0.07 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 30.87 1auq n HIS 656 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1auq s ALA 657 N -2.65 3.63 -1.21 -1.41 0.00 -1.07 -3.13 121.76 115.93 1auq s ALA 657 Ca 0.25 1.53 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 1auq s ALA 657 Cb 0.20 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1auq s ALA 657 CO 0.49 -0.97 1.88 -1.71 0.00 0.00 0.00 175.76 175.45 1auq n ASN 658 N 1.27 3.60 0.26 0.00 2.85 0.19 -4.75 115.26 118.68 1auq n ASN 658 Ca 0.04 -2.76 0.08 0.00 -0.11 0.00 0.00 54.58 51.83 1auq n ASN 658 Cb 0.39 -1.72 0.66 0.00 1.24 0.00 0.00 39.78 40.34 1auq n ASN 658 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1auq h LEU 659 N 16.06 0.00 -0.53 1.20 4.07 -1.89 -1.19 115.31 133.04 1auq h LEU 659 Ca 0.30 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.21 1auq h LEU 659 Cb 0.90 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 1auq h LEU 659 CO 1.32 0.00 0.14 0.11 -1.08 0.00 0.00 178.44 178.94 1auq h LYS 660 N 0.00 0.84 -0.41 1.13 6.56 -1.99 0.27 116.57 122.97 1auq h LYS 660 Ca -0.00 -0.20 -0.15 0.00 -1.06 0.00 0.00 60.65 59.24 1auq h LYS 660 Cb 0.00 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.54 1auq h LYS 660 CO 0.00 0.79 -0.35 1.96 -2.06 0.00 0.00 179.45 179.79 1auq h GLN 661 N 0.73 0.95 -0.87 3.15 4.20 -1.81 -1.69 115.11 119.76 1auq h GLN 661 Ca 0.17 -0.48 0.02 0.00 0.06 0.00 0.00 58.65 58.42 1auq h GLN 661 Cb 0.32 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 1auq h GLN 661 CO -0.00 1.14 0.57 0.82 -0.67 0.00 0.00 178.83 180.69 1auq h ILE 662 N 0.78 1.18 -0.04 2.54 2.04 -0.97 -0.05 117.51 122.99 1auq h ILE 662 Ca 0.07 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 1auq h ILE 662 Cb 0.94 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1auq h ILE 662 CO 0.09 0.21 -0.50 0.03 0.00 0.00 0.00 178.15 177.97 1auq h ARG 663 N 1.13 0.10 -0.24 2.37 2.47 -0.66 -2.21 114.38 117.35 1auq h ARG 663 Ca 0.34 -0.06 -0.13 0.00 -1.26 0.00 0.00 59.98 58.87 1auq h ARG 663 Cb -0.05 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1auq h ARG 663 CO -0.10 0.59 -0.35 -0.07 0.56 0.00 0.00 179.97 180.60 1auq h LEU 664 N 0.08 0.73 0.01 3.04 3.38 -0.36 -3.06 115.31 119.13 1auq h LEU 664 Ca 0.00 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 1auq h LEU 664 Cb 0.92 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1auq h LEU 664 CO 0.07 1.09 -0.00 0.40 0.09 0.00 0.00 178.44 180.09 1auq h ILE 665 N 0.38 0.99 -0.99 1.22 2.04 -0.86 -2.86 117.51 117.43 1auq h ILE 665 Ca 0.03 -0.01 0.18 0.00 1.00 0.00 0.00 64.86 66.06 1auq h ILE 665 Cb 0.93 1.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.90 1auq h ILE 665 CO 0.08 0.00 0.59 -0.33 0.00 0.00 0.00 178.15 178.49 1auq h GLU 666 N -0.02 0.74 -0.01 2.37 5.08 -1.43 -2.39 114.58 118.93 1auq h GLU 666 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1auq h GLU 666 Cb 0.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1auq h GLU 666 CO 0.00 0.49 -0.09 0.36 -1.00 0.00 0.00 179.01 178.77 1auq n LYS 667 N -4.77 0.88 0.09 2.33 2.85 -1.09 -3.68 118.16 114.76 1auq n LYS 667 Ca 0.22 -0.33 -0.07 0.00 -1.05 0.00 0.00 58.31 57.08 1auq n LYS 667 Cb 0.54 -1.49 -0.01 0.00 -0.65 0.00 0.00 35.03 33.43 1auq n LYS 667 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1auq h GLN 668 N 0.81 0.13 -2.15 -1.58 5.75 -1.28 -3.46 115.11 113.32 1auq h GLN 668 Ca 0.00 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.29 1auq h GLN 668 Cb 0.34 0.04 -0.21 0.00 1.07 0.00 0.00 27.48 28.73 1auq h GLN 668 CO 0.00 0.92 0.07 0.00 -2.65 0.00 0.00 178.83 177.17 1auq s ALA 669 N -3.16 -1.62 0.56 3.38 0.00 -1.24 -5.07 121.76 114.61 1auq s ALA 669 Ca -0.02 1.71 0.27 0.00 0.00 0.00 0.00 51.96 53.92 1auq s ALA 669 Cb 0.10 -0.85 1.49 0.00 0.00 0.00 0.00 23.12 23.86 1auq s ALA 669 CO 0.82 -0.32 1.99 -1.00 0.00 0.00 0.00 175.76 177.25 1auq h PRO 670 N 4.68 0.00 0.00 0.00 0.13 -1.90 -2.32 132.00 132.59 1auq h PRO 670 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1auq h PRO 670 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1auq h PRO 670 CO 0.15 0.00 -0.36 0.39 -0.23 0.00 0.00 178.00 177.95 1auq n GLU 671 N -4.04 0.09 -0.98 0.86 4.71 -1.26 -4.39 120.64 115.63 1auq n GLU 671 Ca 0.07 0.04 -0.33 0.00 -0.01 0.00 0.00 57.16 56.93 1auq n GLU 671 Cb 0.56 -1.57 -0.03 0.00 -1.01 0.00 0.00 31.44 29.39 1auq n GLU 671 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1auq n ASN 672 N -1.70 3.78 -4.72 1.62 3.02 -0.88 -4.82 115.26 111.56 1auq n ASN 672 Ca 0.05 -2.51 -0.42 0.00 -0.03 0.00 0.00 54.58 51.67 1auq n ASN 672 Cb 0.37 -1.13 -0.03 0.00 -0.61 0.00 0.00 39.78 38.37 1auq n ASN 672 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1auq s LYS 673 N 4.14 4.50 0.12 3.52 2.20 -1.26 -3.99 119.74 128.98 1auq s LYS 673 Ca 0.48 1.75 -0.06 0.00 -0.36 0.00 0.00 55.97 57.78 1auq s LYS 673 Cb 0.12 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 33.07 1auq s LYS 673 CO 0.03 -0.11 0.38 0.00 -0.36 0.00 0.00 175.35 175.30 1auq s ALA 674 N 0.45 3.78 -0.28 3.13 0.00 -1.26 -3.71 121.76 123.87 1auq s ALA 674 Ca 0.54 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1auq s ALA 674 Cb -0.29 -2.16 0.08 0.00 0.00 0.00 0.00 23.12 20.75 1auq s ALA 674 CO 0.32 0.65 0.01 -0.06 0.00 0.00 0.00 175.76 176.68 1auq s PHE 675 N -1.59 2.51 -0.22 0.00 0.40 -0.12 -5.00 117.98 113.96 1auq s PHE 675 Ca 0.39 -2.02 -0.12 0.00 -0.60 0.00 0.00 56.93 54.57 1auq s PHE 675 Cb -0.12 -1.91 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 1auq s PHE 675 CO 0.23 -0.84 0.25 0.08 0.70 0.00 0.00 175.22 175.64 1auq s VAL 676 N 1.35 5.30 0.17 -0.44 1.01 -1.26 -0.33 120.40 126.20 1auq s VAL 676 Ca 0.02 0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1auq s VAL 676 Cb -0.18 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1auq s VAL 676 CO -0.11 0.31 -0.18 -0.76 0.00 0.00 0.00 175.10 174.36 1auq s LEU 677 N 1.13 2.45 0.15 3.92 1.02 0.12 -4.94 118.68 122.52 1auq s LEU 677 Ca 0.12 -0.88 0.06 0.00 0.02 0.00 0.00 54.13 53.46 1auq s LEU 677 Cb -0.14 -0.82 -0.10 0.00 0.02 0.00 0.00 46.19 45.15 1auq s LEU 677 CO 0.06 -0.04 1.34 0.28 0.02 0.00 0.00 176.35 178.00 1auq h SER 678 N 3.18 0.05 -5.30 2.29 0.02 -1.93 -0.07 113.55 111.79 1auq h SER 678 Ca -0.42 -0.05 0.16 0.00 -0.84 0.00 0.00 61.79 60.64 1auq h SER 678 Cb 1.21 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 1auq h SER 678 CO 0.52 0.96 0.47 -0.94 -1.14 0.00 0.00 176.83 176.70 1auq s SER 679 N -6.78 -0.15 0.45 3.07 1.04 -1.26 -2.93 113.70 107.14 1auq s SER 679 Ca -0.00 -0.50 0.31 0.00 0.48 0.00 0.00 55.95 56.24 1auq s SER 679 Cb 0.10 0.53 1.57 0.00 0.10 0.00 0.00 66.02 68.32 1auq s SER 679 CO 0.82 -0.99 1.94 -0.37 0.98 0.00 0.00 173.24 175.61 1auq h VAL 680 N 2.00 0.00 0.00 5.02 -1.51 -1.92 -1.62 116.25 118.22 1auq h VAL 680 Ca -0.25 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1auq h VAL 680 Cb 1.23 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1auq h VAL 680 CO 0.27 0.00 0.00 0.44 -1.23 0.00 0.00 177.57 177.05 1auq h ASP 681 N 0.00 0.00 0.81 4.19 3.32 -1.96 -2.56 116.42 120.22 1auq h ASP 681 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1auq h ASP 681 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1auq h ASP 681 CO 0.00 0.00 -0.55 -0.62 -1.72 0.00 0.00 179.24 176.35 1auq n GLU 682 N -2.89 0.21 -0.24 3.56 1.02 -0.61 -4.27 120.64 117.42 1auq n GLU 682 Ca 0.01 0.07 0.04 0.00 -0.02 0.00 0.00 57.16 57.25 1auq n GLU 682 Cb 0.30 -1.64 0.16 0.00 -0.02 0.00 0.00 31.44 30.24 1auq n GLU 682 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1auq h LEU 683 N 0.00 0.20 -1.30 -4.62 3.38 -1.58 -1.53 115.31 109.86 1auq h LEU 683 Ca 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1auq h LEU 683 Cb 0.68 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1auq h LEU 683 CO 0.00 0.08 0.36 -0.08 0.09 0.00 0.00 178.44 178.89 1auq h GLU 684 N 0.39 0.84 0.00 1.13 4.81 -1.78 0.42 114.58 120.39 1auq h GLU 684 Ca 0.38 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1auq h GLU 684 Cb 0.57 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1auq h GLU 684 CO -0.40 0.60 0.00 1.96 -0.73 0.00 0.00 179.01 180.44 1auq h GLN 685 N 0.85 0.00 0.00 1.92 4.20 -1.54 -3.21 115.11 117.33 1auq h GLN 685 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1auq h GLN 685 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1auq h GLN 685 CO -0.04 0.00 -0.78 1.04 -0.67 0.00 0.00 178.83 178.38 1auq n GLN 686 N -2.42 2.48 -0.26 1.46 1.13 -0.81 -4.83 117.38 114.14 1auq n GLN 686 Ca 0.02 -0.02 -0.04 0.00 -1.94 0.00 0.00 57.00 55.01 1auq n GLN 686 Cb 0.26 -0.94 0.01 0.00 0.11 0.00 0.00 30.24 29.68 1auq n GLN 686 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1auq h ARG 687 N 0.00 -0.12 -0.22 -1.09 2.43 -0.94 -0.98 114.38 113.46 1auq h ARG 687 Ca 0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1auq h ARG 687 Cb 0.17 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1auq h ARG 687 CO 0.00 -0.08 -0.05 -0.44 -1.51 0.00 0.00 179.97 177.89 1auq h ASP 688 N -0.12 0.31 0.30 -3.80 3.32 -1.88 -1.21 116.42 113.35 1auq h ASP 688 Ca 0.26 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 1auq h ASP 688 Cb 0.56 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1auq h ASP 688 CO -0.78 0.42 -0.55 -0.08 -1.72 0.00 0.00 179.24 176.53 1auq h GLU 689 N 0.32 0.26 -0.13 3.56 4.81 -1.56 -1.64 114.58 120.21 1auq h GLU 689 Ca 0.07 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 1auq h GLU 689 Cb 0.31 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.71 1auq h GLU 689 CO 0.01 0.74 -0.57 0.82 -0.73 0.00 0.00 179.01 179.29 1auq h ILE 690 N 0.20 1.33 -0.69 2.32 2.04 -0.47 -2.61 117.51 119.64 1auq h ILE 690 Ca 0.00 -1.84 -0.07 0.00 1.00 0.00 0.00 64.86 63.95 1auq h ILE 690 Cb 1.03 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 39.16 1auq h ILE 690 CO 0.09 0.57 0.17 0.58 0.00 0.00 0.00 178.15 179.55 1auq h VAL 691 N 0.27 1.26 -0.34 1.67 2.07 -1.18 -1.75 116.25 118.24 1auq h VAL 691 Ca -0.03 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1auq h VAL 691 Cb 1.20 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1auq h VAL 691 CO 0.12 0.37 0.17 0.28 0.02 0.00 0.00 177.57 178.53 1auq h SER 692 N 1.03 0.44 0.29 0.57 0.02 -1.33 0.45 113.55 115.03 1auq h SER 692 Ca 0.22 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1auq h SER 692 Cb 0.37 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1auq h SER 692 CO 0.00 0.43 -0.20 0.22 -1.14 0.00 0.00 176.83 176.14 1auq h TYR 693 N 0.42 -0.52 -0.53 3.45 3.20 -1.39 -0.33 116.97 121.28 1auq h TYR 693 Ca 0.12 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1auq h TYR 693 Cb 0.10 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1auq h TYR 693 CO -0.02 -0.31 0.32 1.25 -1.64 0.00 0.00 178.16 177.76 1auq h LEU 694 N -0.48 0.63 -0.18 2.82 6.46 -1.18 -2.83 115.31 120.56 1auq h LEU 694 Ca -0.02 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1auq h LEU 694 Cb 0.41 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1auq h LEU 694 CO 0.01 0.50 0.05 0.00 -0.62 0.00 0.00 178.44 178.38 1auq h ASP 696 N 0.10 0.00 0.56 0.00 3.58 -0.82 -0.72 116.42 119.13 1auq h ASP 696 Ca 0.06 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.27 1auq h ASP 696 Cb 0.26 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1auq h ASP 696 CO -0.00 0.00 -1.03 -0.07 -2.88 0.00 0.00 179.24 175.26 1auq h LEU 697 N 0.00 0.37-10.16 2.28 4.07 -1.27 -3.46 115.31 107.14 1auq h LEU 697 Ca 0.10 -0.34 -0.50 0.00 0.08 0.00 0.00 57.88 57.22 1auq h LEU 697 Cb 0.73 -0.12 0.08 0.00 1.08 0.00 0.00 40.66 42.43 1auq h LEU 697 CO -0.00 1.19 0.39 0.00 -1.08 0.00 0.00 178.44 178.94 1auq s ALA 698 N -2.99 2.64 0.55 1.53 0.00 -0.28 -4.93 121.76 118.28 1auq s ALA 698 Ca -0.04 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 1auq s ALA 698 Cb 0.09 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 1auq s ALA 698 CO 0.86 -0.93 1.05 -2.14 0.00 0.00 0.00 175.76 174.60 1auq s PRO 699 N -3.81 3.51 0.38 0.00 0.02 -1.25 -4.82 135.00 129.03 1auq s PRO 699 Ca 0.68 1.27 -0.08 0.00 0.02 0.00 0.00 61.00 62.89 1auq s PRO 699 Cb -0.20 -2.06 -0.06 0.00 0.02 0.00 0.00 34.50 32.21 1auq s PRO 699 CO 0.35 -0.66 0.70 -1.21 -0.33 0.00 0.00 177.00 175.84 1auq s GLU 700 N -3.75 3.69 0.40 5.54 2.02 -1.26 -1.33 118.70 124.01 1auq s GLU 700 Ca 0.65 0.27 -0.24 0.00 0.02 0.00 0.00 54.97 55.66 1auq s GLU 700 Cb -0.16 -2.47 -0.09 0.00 0.10 0.00 0.00 34.13 31.51 1auq s GLU 700 CO 0.30 0.02 1.09 0.00 0.02 0.00 0.00 175.26 176.69 1auq s ALA 701 N -2.34 3.09 0.36 5.21 0.00 -1.26 -4.82 121.76 122.00 1auq s ALA 701 Ca 0.48 0.79 -0.27 0.00 0.00 0.00 0.00 51.96 52.96 1auq s ALA 701 Cb -0.10 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 1auq s ALA 701 CO 0.33 -0.33 1.28 -2.14 0.00 0.00 0.00 175.76 174.90 1auq s PRO 702 N -2.44 4.21 -0.11 0.00 0.02 -1.26 -4.89 135.00 130.52 1auq s PRO 702 Ca 0.58 2.14 -0.41 0.00 0.02 0.00 0.00 61.00 63.33 1auq s PRO 702 Cb -0.25 -2.93 -0.19 0.00 0.02 0.00 0.00 34.50 31.15 1auq s PRO 702 CO 0.31 -0.29 1.30 -2.30 -0.33 0.00 0.00 177.00 175.69 1auq n PRO 703 N 0.52 0.34 -1.66 5.54 -0.02 -1.26 -4.73 135.00 133.71 1auq n PRO 703 Ca 0.02 0.12 -0.52 0.00 -2.02 0.00 0.00 63.50 61.09 1auq n PRO 703 Cb 0.43 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 1auq n PRO 703 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1auq n PRO 704 N 2.58 1.61 0.00 0.52 -0.02 -1.26 -5.32 135.00 133.11 1auq n PRO 704 Ca 0.23 0.57 0.04 0.00 -2.02 0.00 0.00 63.50 62.32 1auq n PRO 704 Cb 0.08 -2.41 0.04 0.00 -0.02 0.00 0.00 33.50 31.19 1auq n PRO 704 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11