#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf8 s HIS 506 N 0.00 3.84 -0.19 1.57 0.09 -1.26 -5.06 115.29 114.28 1sf8 s HIS 506 Ca 0.00 1.54 -0.28 0.00 -0.00 0.00 0.00 55.06 56.32 1sf8 s HIS 506 Cb 0.00 -2.76 0.10 0.00 -0.00 0.00 0.00 32.58 29.93 1sf8 s HIS 506 CO 0.00 0.44 0.89 -3.38 -0.00 0.00 0.00 174.74 172.69 1sf8 s HIS 507 N -0.75 -0.53 0.00 1.40 0.00 -1.26 -5.18 115.29 108.97 1sf8 s HIS 507 Ca 0.36 1.10 0.00 0.00 -3.00 0.00 0.00 55.06 53.52 1sf8 s HIS 507 Cb -0.22 0.39 0.00 0.00 -4.00 0.00 0.00 32.58 28.75 1sf8 s HIS 507 CO 0.24 -0.38 0.00 -2.39 -1.00 0.00 0.00 174.74 171.21 1sf8 n HIS 508 N 1.50 0.00 -2.18 0.38 -0.00 -1.26 -5.09 115.22 108.56 1sf8 n HIS 508 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 1sf8 n HIS 508 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 1sf8 n HIS 508 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sf8 n GLY 509 N 0.00 0.05 0.26 -1.39 0.00 -1.26 -4.88 105.19 97.97 1sf8 n GLY 509 Ca 0.00 -1.36 0.14 0.00 0.00 0.00 0.00 46.02 44.80 1sf8 n GLY 509 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sf8 n SER 510 N 0.00 0.89 -0.18 1.61 2.88 -1.26 -4.03 113.62 113.54 1sf8 n SER 510 Ca 0.00 -1.05 -0.01 0.00 -1.33 0.00 0.00 58.87 56.48 1sf8 n SER 510 Cb 0.00 0.01 0.08 0.00 -0.75 0.00 0.00 64.21 63.55 1sf8 n SER 510 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1sf8 h PHE 511 N 1.28 0.02 0.00 0.66 3.57 -1.98 1.04 116.94 121.53 1sf8 h PHE 511 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1sf8 h PHE 511 Cb 0.39 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1sf8 h PHE 511 CO 0.00 -0.11 0.00 -0.89 -2.23 0.00 0.00 178.31 175.08 1sf8 n ILE 512 N -5.22 1.63 -0.13 1.41 5.41 -1.26 -2.23 119.36 118.97 1sf8 n ILE 512 Ca 0.07 0.56 -0.26 0.00 1.00 0.00 0.00 62.75 64.13 1sf8 n ILE 512 Cb 0.30 -1.55 -0.10 0.00 -0.71 0.00 0.00 39.64 37.58 1sf8 n ILE 512 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1sf8 n ASP 513 N -1.76 1.94 0.07 4.38 8.00 0.32 -3.91 116.55 125.59 1sf8 n ASP 513 Ca -0.00 0.19 0.05 0.00 0.71 0.00 0.00 54.79 55.74 1sf8 n ASP 513 Cb 0.02 -0.68 0.26 0.00 -0.02 0.00 0.00 41.12 40.70 1sf8 n ASP 513 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1sf8 n ARG 514 N -3.93 0.06 -0.02 -1.24 1.85 0.97 -0.62 116.66 113.73 1sf8 n ARG 514 Ca -0.51 0.56 -0.17 0.00 -1.00 0.00 0.00 57.85 56.73 1sf8 n ARG 514 Cb 0.91 -1.71 -0.14 0.00 -1.05 0.00 0.00 32.46 30.46 1sf8 n ARG 514 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1sf8 n VAL 515 N -1.83 1.69 0.16 8.89 0.31 -1.00 -4.04 118.33 122.50 1sf8 n VAL 515 Ca -0.01 -0.70 -0.14 0.00 -0.01 0.00 0.00 64.34 63.49 1sf8 n VAL 515 Cb 0.03 -1.45 -0.07 0.00 -0.91 0.00 0.00 33.84 31.43 1sf8 n VAL 515 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1sf8 h LYS 516 N 0.04 -0.36 0.00 5.55 1.57 -0.98 -1.99 116.57 120.40 1sf8 h LYS 516 Ca -0.41 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1sf8 h LYS 516 Cb 2.03 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 34.41 1sf8 h LYS 516 CO 0.07 -0.24 -0.16 0.00 -0.57 0.00 0.00 179.45 178.55 1sf8 h ALA 517 N 0.38 1.34 0.01 3.86 0.00 -1.75 0.39 119.26 123.49 1sf8 h ALA 517 Ca -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1sf8 h ALA 517 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sf8 h ALA 517 CO 0.01 0.20 -0.01 1.25 0.00 0.00 0.00 179.25 180.70 1sf8 h LEU 518 N 0.00 -0.02 -0.13 0.00 5.85 -1.61 -3.30 115.31 116.11 1sf8 h LEU 518 Ca -0.00 -0.54 -0.23 0.00 0.84 0.00 0.00 57.88 57.95 1sf8 h LEU 518 Cb 0.38 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.43 1sf8 h LEU 518 CO 0.02 0.53 -0.84 -0.07 -0.34 0.00 0.00 178.44 177.74 1sf8 h LEU 519 N -0.57 0.93 0.00 2.25 3.38 -1.21 -3.48 115.31 116.60 1sf8 h LEU 519 Ca -0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1sf8 h LEU 519 Cb 0.55 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1sf8 h LEU 519 CO 0.00 1.44 0.00 0.61 0.09 0.00 0.00 178.44 180.59 1sf8 n GLY 520 N 0.79 2.97 0.25 0.83 0.00 0.14 -3.11 105.19 107.05 1sf8 n GLY 520 Ca -0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 1sf8 n GLY 520 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sf8 h GLU 521 N 0.00 0.56 -1.25 1.61 4.39 -1.93 -3.16 114.58 114.80 1sf8 h GLU 521 Ca 0.00 -0.20 0.41 0.00 0.34 0.00 0.00 59.36 59.91 1sf8 h GLU 521 Cb 0.00 -0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 28.48 1sf8 h GLU 521 CO 0.00 0.73 0.79 0.00 -1.16 0.00 0.00 179.01 179.37 1sf8 h ARG 522 N 0.50 0.13 -5.16 2.33 3.08 -1.95 -3.35 114.38 109.95 1sf8 h ARG 522 Ca 0.08 -0.01 -0.67 0.00 0.07 0.00 0.00 59.98 59.45 1sf8 h ARG 522 Cb 0.64 -0.03 -0.31 0.00 0.08 0.00 0.00 29.97 30.34 1sf8 h ARG 522 CO 0.05 0.09 -0.82 0.08 -1.07 0.00 0.00 179.97 178.30 1sf8 s VAL 523 N -5.36 2.54 0.26 2.04 1.01 -1.19 -4.22 120.40 115.48 1sf8 s VAL 523 Ca -0.08 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1sf8 s VAL 523 Cb 0.29 -2.07 0.24 0.00 0.00 0.00 0.00 36.38 34.84 1sf8 s VAL 523 CO 0.81 0.52 1.83 0.50 0.00 0.00 0.00 175.10 178.76 1sf8 h LYS 524 N 7.45 0.88 -2.50 2.72 3.64 -0.66 -3.45 116.57 124.64 1sf8 h LYS 524 Ca -0.35 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.06 1sf8 h LYS 524 Cb 1.18 -0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 32.67 1sf8 h LYS 524 CO 0.58 0.58 0.41 0.34 -2.27 0.00 0.00 179.45 179.09 1sf8 s ASP 525 N -5.67 -0.39 0.09 4.20 2.15 -1.24 -5.03 116.67 110.77 1sf8 s ASP 525 Ca -0.12 -0.07 0.09 0.00 0.43 0.00 0.00 52.55 52.87 1sf8 s ASP 525 Cb 0.20 0.46 -0.03 0.00 -0.30 0.00 0.00 42.92 43.25 1sf8 s ASP 525 CO 0.79 -0.77 -0.23 -0.69 -0.17 0.00 0.00 175.17 174.10 1sf8 s VAL 526 N -3.33 1.91 0.28 1.11 1.01 -1.26 -0.41 120.40 119.71 1sf8 s VAL 526 Ca 0.05 -1.51 -0.09 0.00 0.00 0.00 0.00 61.98 60.43 1sf8 s VAL 526 Cb -0.01 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 1sf8 s VAL 526 CO -0.08 0.09 0.45 -0.13 0.00 0.00 0.00 175.10 175.44 1sf8 s ARG 527 N -1.71 1.64 -0.54 2.72 0.52 -0.01 -4.95 118.95 116.62 1sf8 s ARG 527 Ca 0.09 -1.44 0.04 0.00 -0.52 0.00 0.00 55.73 53.90 1sf8 s ARG 527 Cb -0.10 0.45 0.14 0.00 0.52 0.00 0.00 34.95 35.97 1sf8 s ARG 527 CO 0.04 -0.68 0.32 -0.51 0.02 0.00 0.00 175.30 174.49 1sf8 s LEU 528 N -3.10 3.82 0.10 2.53 1.43 -1.26 -1.36 118.68 120.84 1sf8 s LEU 528 Ca 0.26 -3.14 0.08 0.00 -1.03 0.00 0.00 54.13 50.30 1sf8 s LEU 528 Cb 0.00 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1sf8 s LEU 528 CO 0.13 -0.20 -0.14 0.28 0.23 0.00 0.00 176.35 176.65 1sf8 s THR 529 N -0.41 3.09 0.77 5.49 -1.32 -0.79 -4.88 115.64 117.59 1sf8 s THR 529 Ca 0.20 -1.34 -0.11 0.00 -1.21 0.00 0.00 61.69 59.23 1sf8 s THR 529 Cb -0.18 -2.42 0.05 0.00 -1.51 0.00 0.00 72.50 68.45 1sf8 s THR 529 CO -0.06 0.14 1.10 -1.00 -2.21 0.00 0.00 174.62 172.60 1sf8 s HIS 530 N -1.15 3.00 0.11 9.09 3.76 -1.26 -4.06 115.29 124.78 1sf8 s HIS 530 Ca 0.19 1.09 0.03 0.00 -0.15 0.00 0.00 55.06 56.22 1sf8 s HIS 530 Cb -0.11 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.42 1sf8 s HIS 530 CO 0.11 -1.58 -0.08 1.03 -0.85 0.00 0.00 174.74 173.37 1sf8 s ARG 531 N -5.25 0.87 0.00 1.40 1.81 -1.26 -5.02 118.95 111.50 1sf8 s ARG 531 Ca 0.60 -1.29 0.24 0.00 -1.72 0.00 0.00 55.73 53.56 1sf8 s ARG 531 Cb -0.13 -0.37 0.36 0.00 -0.45 0.00 0.00 34.95 34.36 1sf8 s ARG 531 CO 0.53 0.03 1.32 1.28 -0.68 0.00 0.00 175.30 177.78 1sf8 n LEU 532 N 0.14 1.42 -4.51 2.53 4.77 -1.26 -4.88 117.00 115.21 1sf8 n LEU 532 Ca -0.13 -0.47 -0.27 0.00 -0.03 0.00 0.00 56.01 55.10 1sf8 n LEU 532 Cb 0.60 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1sf8 n LEU 532 CO 0.29 0.27 -0.47 0.42 -1.33 0.00 0.00 177.39 176.58 1sf8 s THR 533 N -2.55 2.85 -1.30 -5.08 -4.23 -1.26 -5.02 115.64 99.06 1sf8 s THR 533 Ca 0.20 -1.74 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 1sf8 s THR 533 Cb 0.18 -2.38 -0.07 0.00 1.34 0.00 0.00 72.50 71.58 1sf8 s THR 533 CO 0.57 -0.07 2.55 -0.67 -0.54 0.00 0.00 174.62 176.46 1sf8 n ASP 534 N 0.27 6.81 -4.59 3.99 2.03 -1.26 -4.86 116.55 118.94 1sf8 n ASP 534 Ca -0.12 -2.48 -0.34 0.00 0.52 0.00 0.00 54.79 52.37 1sf8 n ASP 534 Cb 0.55 -1.36 -0.11 0.00 -0.72 0.00 0.00 41.12 39.49 1sf8 n ASP 534 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1sf8 s THR 535 N 2.81 4.38 0.17 5.18 2.01 -1.26 -5.00 115.64 123.93 1sf8 s THR 535 Ca 0.56 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.24 1sf8 s THR 535 Cb 0.14 -2.94 0.07 0.00 0.01 0.00 0.00 72.50 69.79 1sf8 s THR 535 CO -0.05 0.50 1.79 1.55 -0.69 0.00 0.00 174.62 177.72 1sf8 h PRO 536 N 6.44 0.79 -1.84 4.92 0.13 -1.93 -3.42 132.00 137.10 1sf8 h PRO 536 Ca -0.37 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1sf8 h PRO 536 Cb 1.18 -0.16 -0.21 0.00 0.13 0.00 0.00 31.00 31.95 1sf8 h PRO 536 CO 0.65 0.60 0.32 0.00 -0.23 0.00 0.00 178.00 179.34 1sf8 s ALA 537 N -5.87 -1.83 0.51 -0.56 0.00 -1.26 -0.65 121.76 112.09 1sf8 s ALA 537 Ca -0.13 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1sf8 s ALA 537 Cb 0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 1sf8 s ALA 537 CO 0.77 -0.34 0.01 0.44 0.00 0.00 0.00 175.76 176.64 1sf8 n ILE 538 N 1.06 0.00 -4.05 0.00 -5.35 -0.84 -4.31 119.36 105.87 1sf8 n ILE 538 Ca -0.15 -2.42 -0.13 0.00 -0.27 0.00 0.00 62.75 59.78 1sf8 n ILE 538 Cb 0.57 0.51 -0.12 0.00 -1.74 0.00 0.00 39.64 38.86 1sf8 n ILE 538 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1sf8 s VAL 539 N -2.87 0.34 0.36 7.28 0.11 -1.26 -1.93 120.40 122.43 1sf8 s VAL 539 Ca 0.02 -0.67 -0.10 0.00 -2.93 0.00 0.00 61.98 58.30 1sf8 s VAL 539 Cb 0.00 -0.39 0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1sf8 s VAL 539 CO 0.01 -0.22 0.63 -0.94 -3.33 0.00 0.00 175.10 171.26 1sf8 s SER 540 N -0.94 0.42 0.01 3.54 1.04 -1.00 -4.92 113.70 111.84 1sf8 s SER 540 Ca -0.07 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.10 1sf8 s SER 540 Cb -0.06 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.80 1sf8 s SER 540 CO -0.00 -1.48 -0.08 0.42 0.98 0.00 0.00 173.24 173.08 1sf8 s THR 541 N -2.75 0.57 0.91 2.02 -4.23 -1.26 0.98 115.64 111.89 1sf8 s THR 541 Ca 0.22 -0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 60.04 1sf8 s THR 541 Cb -0.03 -0.54 0.14 0.00 1.34 0.00 0.00 72.50 73.42 1sf8 s THR 541 CO 0.15 -0.03 1.13 -1.81 -0.54 0.00 0.00 174.62 173.53 1sf8 s ASP 542 N -0.69 2.97 0.88 3.99 1.01 -1.26 -4.93 116.67 118.64 1sf8 s ASP 542 Ca -0.01 2.11 -0.12 0.00 0.71 0.00 0.00 52.55 55.24 1sf8 s ASP 542 Cb -0.05 -2.55 0.10 0.00 1.01 0.00 0.00 42.92 41.43 1sf8 s ASP 542 CO 0.00 -3.06 0.99 0.00 0.21 0.00 0.00 175.17 173.31 1sf8 n ALA 543 N -4.20 -0.96 -3.83 5.23 0.00 -1.26 -2.80 120.51 112.70 1sf8 n ALA 543 Ca 0.11 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.78 1sf8 n ALA 543 Cb 0.52 -2.12 0.01 0.00 0.00 0.00 0.00 19.45 17.87 1sf8 n ALA 543 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sf8 n ASP 544 N -3.16 -2.78 0.00 0.00 8.00 -1.26 -5.15 116.55 112.20 1sf8 n ASP 544 Ca 0.11 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1sf8 n ASP 544 Cb 0.52 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.44 1sf8 n ASP 544 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1sf8 n GLU 545 N -4.34 0.00 -3.91 -1.24 4.07 -1.12 -5.24 120.64 108.86 1sf8 n GLU 545 Ca -0.20 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.76 1sf8 n GLU 545 Cb 0.64 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.99 1sf8 n GLU 545 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1sf8 n SER 547 N 0.00 -1.47 0.03 4.31 3.41 -1.26 -4.93 113.62 113.71 1sf8 n SER 547 Ca 0.00 -2.83 -0.11 0.00 -0.26 0.00 0.00 58.87 55.67 1sf8 n SER 547 Cb 0.00 2.68 -0.08 0.00 -0.26 0.00 0.00 64.21 66.55 1sf8 n SER 547 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1sf8 h THR 548 N 2.00 0.99 0.00 6.66 2.02 -2.00 -2.48 112.91 120.10 1sf8 h THR 548 Ca -0.28 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1sf8 h THR 548 Cb 1.18 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1sf8 h THR 548 CO 0.37 0.26 0.00 1.67 0.37 0.00 0.00 175.52 178.20 1sf8 n GLN 549 N -4.87 0.00 0.00 6.66 7.27 -1.26 -3.08 117.38 122.10 1sf8 n GLN 549 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1sf8 n GLN 549 Cb 0.28 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.54 1sf8 n GLN 549 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sf8 n ALA 551 N 1.03 0.00 -0.14 1.69 0.00 -0.93 -3.23 120.51 118.93 1sf8 n ALA 551 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1sf8 n ALA 551 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1sf8 n ALA 551 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sf8 h LYS 552 N 0.00 0.78 -0.97 0.00 1.57 -1.85 -2.54 116.57 113.57 1sf8 h LYS 552 Ca 0.00 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1sf8 h LYS 552 Cb 0.00 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1sf8 h LYS 552 CO 0.00 0.91 0.64 -0.07 -0.57 0.00 0.00 179.45 180.36 1sf8 h LEU 553 N 0.60 1.09 -0.69 2.94 3.38 -1.88 -0.15 115.31 120.60 1sf8 h LEU 553 Ca 0.10 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1sf8 h LEU 553 Cb 0.62 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1sf8 h LEU 553 CO 0.04 0.77 0.39 0.15 0.09 0.00 0.00 178.44 179.88 1sf8 h PHE 554 N 1.27 0.71 0.40 1.13 3.57 -1.81 0.08 116.94 122.29 1sf8 h PHE 554 Ca 0.37 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 1sf8 h PHE 554 Cb -0.09 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.44 1sf8 h PHE 554 CO -0.00 0.34 -0.19 0.00 -2.23 0.00 0.00 178.31 176.23 1sf8 h ALA 555 N 1.35 -0.53 -0.99 2.41 0.00 -0.86 -1.97 119.26 118.67 1sf8 h ALA 555 Ca 0.31 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.27 1sf8 h ALA 555 Cb 0.19 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1sf8 h ALA 555 CO -0.18 -0.69 0.63 0.00 0.00 0.00 0.00 179.25 179.01 1sf8 h ALA 556 N -0.26 2.05 0.00 0.00 0.00 -0.73 0.63 119.26 120.96 1sf8 h ALA 556 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sf8 h ALA 556 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1sf8 h ALA 556 CO 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.92 1sf8 n ALA 557 N -2.44 2.21 -3.86 0.00 0.00 -0.02 -4.80 120.51 111.60 1sf8 n ALA 557 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 1sf8 n ALA 557 Cb 0.74 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.22 1sf8 n ALA 557 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf8 n GLY 558 N 0.12 -0.50 3.46 0.00 0.00 0.22 -4.97 105.19 103.51 1sf8 n GLY 558 Ca 0.00 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1sf8 n GLY 558 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sf8 s GLN 559 N -6.57 2.51 -0.60 1.61 -1.52 -0.76 -5.04 119.66 109.29 1sf8 s GLN 559 Ca 0.65 -0.71 -0.26 0.00 -1.95 0.00 0.00 55.36 53.09 1sf8 s GLN 559 Cb -0.32 -2.37 -0.07 0.00 -0.22 0.00 0.00 33.01 30.04 1sf8 s GLN 559 CO 0.80 0.61 2.24 0.15 -0.25 0.00 0.00 175.29 178.84 1sf8 s LYS 560 N -0.69 2.18 -0.21 2.91 3.01 -1.26 -4.12 119.74 121.56 1sf8 s LYS 560 Ca 0.11 0.94 -0.31 0.00 -1.01 0.00 0.00 55.97 55.69 1sf8 s LYS 560 Cb -0.11 -4.60 -0.08 0.00 -1.01 0.00 0.00 37.83 32.03 1sf8 s LYS 560 CO 0.01 -3.34 2.13 0.28 0.51 0.00 0.00 175.35 174.94 1sf8 n VAL 561 N 7.91 0.38 -2.06 3.17 0.31 -1.26 -4.94 118.33 121.84 1sf8 n VAL 561 Ca 0.34 -0.32 -0.39 0.00 -0.01 0.00 0.00 64.34 63.97 1sf8 n VAL 561 Cb 0.52 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1sf8 n VAL 561 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1sf8 s PRO 562 N 5.75 3.77 -0.86 5.55 0.02 -1.26 -4.91 135.00 143.07 1sf8 s PRO 562 Ca 1.01 2.07 -0.25 0.00 0.02 0.00 0.00 61.00 63.85 1sf8 s PRO 562 Cb -0.55 -2.58 0.02 0.00 0.02 0.00 0.00 34.50 31.41 1sf8 s PRO 562 CO 0.42 -0.63 1.55 -1.21 -0.33 0.00 0.00 177.00 176.80 1sf8 s GLU 563 N -2.47 3.16 0.59 5.54 2.02 -1.26 -4.97 118.70 121.32 1sf8 s GLU 563 Ca 0.61 -0.49 -0.19 0.00 0.02 0.00 0.00 54.97 54.92 1sf8 s GLU 563 Cb -0.36 -4.84 -0.05 0.00 0.10 0.00 0.00 34.13 28.98 1sf8 s GLU 563 CO 0.45 -2.47 0.98 0.28 0.02 0.00 0.00 175.26 174.51 1sf8 n VAL 564 N 6.96 3.67 -4.22 2.63 0.31 -1.26 -5.01 118.33 121.41 1sf8 n VAL 564 Ca 0.24 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.73 1sf8 n VAL 564 Cb 0.50 -1.17 -0.13 0.00 -0.91 0.00 0.00 33.84 32.13 1sf8 n VAL 564 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1sf8 s LYS 565 N -2.74 3.48 0.50 5.55 -0.14 -1.26 -5.06 119.74 120.08 1sf8 s LYS 565 Ca 0.75 -0.60 0.07 0.00 -1.36 0.00 0.00 55.97 54.83 1sf8 s LYS 565 Cb -0.42 -2.93 0.04 0.00 -1.68 0.00 0.00 37.83 32.84 1sf8 s LYS 565 CO 0.47 0.01 0.69 0.71 -0.76 0.00 0.00 175.35 176.48 1sf8 s TYR 566 N 0.93 2.38 -0.33 3.18 1.51 -1.26 -4.64 117.35 119.13 1sf8 s TYR 566 Ca -0.00 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 55.60 1sf8 s TYR 566 Cb -0.15 -2.45 0.04 0.00 -0.11 0.00 0.00 41.96 39.30 1sf8 s TYR 566 CO 0.01 -0.78 0.08 0.42 -1.11 0.00 0.00 175.55 174.17 1sf8 s ILE 567 N -2.56 3.55 -0.33 2.71 1.01 0.28 -0.12 121.20 125.75 1sf8 s ILE 567 Ca 0.58 -1.21 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 1sf8 s ILE 567 Cb -0.09 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 1sf8 s ILE 567 CO 0.36 -0.16 1.44 0.12 0.00 0.00 0.00 174.94 176.70 1sf8 s PHE 568 N 1.36 2.39 -0.39 3.97 5.36 0.45 -2.39 117.98 128.73 1sf8 s PHE 568 Ca -0.03 0.71 -0.06 0.00 -0.96 0.00 0.00 56.93 56.60 1sf8 s PHE 568 Cb -0.20 -4.09 0.08 0.00 -0.34 0.00 0.00 43.02 38.47 1sf8 s PHE 568 CO 0.02 -2.15 0.18 -1.21 -1.46 0.00 0.00 175.22 170.60 1sf8 s GLU 569 N 4.67 2.43 0.28 10.12 2.02 -0.81 -0.83 118.70 136.58 1sf8 s GLU 569 Ca 0.63 -1.48 -0.20 0.00 0.02 0.00 0.00 54.97 53.94 1sf8 s GLU 569 Cb -0.18 -3.59 -0.09 0.00 0.10 0.00 0.00 34.13 30.37 1sf8 s GLU 569 CO 0.29 -0.89 0.79 -0.51 0.02 0.00 0.00 175.26 174.96 1sf8 s LEU 570 N 1.33 4.26 -0.42 1.80 1.43 -0.47 -1.99 118.68 124.63 1sf8 s LEU 570 Ca 0.02 1.51 -0.17 0.00 -1.03 0.00 0.00 54.13 54.46 1sf8 s LEU 570 Cb -0.22 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.18 1sf8 s LEU 570 CO 0.00 -0.06 0.43 0.21 0.23 0.00 0.00 176.35 177.17 1sf8 s ASN 571 N -1.79 6.19 0.16 2.29 2.47 0.18 -1.89 114.94 122.55 1sf8 s ASN 571 Ca 0.48 -0.68 -0.16 0.00 0.42 0.00 0.00 52.86 52.92 1sf8 s ASN 571 Cb -0.15 -2.22 0.09 0.00 -1.45 0.00 0.00 41.25 37.52 1sf8 s ASN 571 CO 0.20 -0.58 1.71 -0.65 -3.72 0.00 0.00 177.10 174.06 1sf8 h PRO 572 N 8.72 0.13 0.00 0.43 0.11 -1.88 -2.44 132.00 137.08 1sf8 h PRO 572 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1sf8 h PRO 572 Cb 1.11 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sf8 h PRO 572 CO 0.79 0.08 0.00 -0.25 -0.21 0.00 0.00 178.00 178.42 1sf8 n ASP 573 N -5.16 0.00 -4.77 -2.05 9.92 -1.26 -4.60 116.55 108.63 1sf8 n ASP 573 Ca 0.02 -0.77 -0.38 0.00 -0.53 0.00 0.00 54.79 53.13 1sf8 n ASP 573 Cb 0.19 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.61 1sf8 n ASP 573 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1sf8 s HIS 574 N -2.00 3.59 0.16 1.24 2.46 -0.92 -5.01 115.29 114.81 1sf8 s HIS 574 Ca 0.21 0.88 -0.17 0.00 0.47 0.00 0.00 55.06 56.44 1sf8 s HIS 574 Cb 0.09 -2.41 0.08 0.00 -0.13 0.00 0.00 32.58 30.22 1sf8 s HIS 574 CO 0.16 0.37 1.68 0.28 -2.47 0.00 0.00 174.74 174.76 1sf8 h VAL 575 N 4.31 0.63 0.00 0.89 2.07 -1.88 -0.17 116.25 122.10 1sf8 h VAL 575 Ca -0.45 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1sf8 h VAL 575 Cb 1.19 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1sf8 h VAL 575 CO 0.70 0.00 -0.26 -0.07 0.02 0.00 0.00 177.57 177.97 1sf8 h LEU 576 N 0.01 0.00 -0.16 2.57 3.38 -1.95 0.25 115.31 119.41 1sf8 h LEU 576 Ca 0.18 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.92 1sf8 h LEU 576 Cb 0.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1sf8 h LEU 576 CO -0.38 0.26 -0.82 0.58 0.09 0.00 0.00 178.44 178.17 1sf8 h VAL 577 N 0.00 1.29 0.62 1.22 2.07 -1.59 -2.45 116.25 117.42 1sf8 h VAL 577 Ca -0.00 -2.04 -0.03 0.00 0.82 0.00 0.00 66.70 65.44 1sf8 h VAL 577 Cb 0.60 2.06 0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1sf8 h VAL 577 CO 0.03 0.64 -0.30 0.11 0.02 0.00 0.00 177.57 178.07 1sf8 h LYS 578 N 0.49 -0.81 -0.50 1.57 1.57 -0.55 -2.57 116.57 115.76 1sf8 h LYS 578 Ca -0.06 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 58.92 1sf8 h LYS 578 Cb 1.45 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.92 1sf8 h LYS 578 CO 0.16 -0.54 0.89 0.00 -0.57 0.00 0.00 179.45 179.40 1sf8 h ARG 579 N -1.06 0.00 0.08 3.15 3.08 -0.56 0.80 114.38 119.86 1sf8 h ARG 579 Ca -0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1sf8 h ARG 579 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1sf8 h ARG 579 CO 0.14 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 179.00 1sf8 h ALA 580 N 0.69 -0.10 0.00 0.04 0.00 -1.09 -3.09 119.26 115.71 1sf8 h ALA 580 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sf8 h ALA 580 Cb 2.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1sf8 h ALA 580 CO -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1sf8 h ALA 581 N -0.21 1.00 -0.02 0.00 0.00 0.89 -2.59 119.26 118.33 1sf8 h ALA 581 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sf8 h ALA 581 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1sf8 h ALA 581 CO 0.02 0.00 -0.08 -0.25 0.00 0.00 0.00 179.25 178.93 1sf8 n ASP 582 N -2.67 1.89 -4.65 0.00 8.00 0.04 -4.84 116.55 114.32 1sf8 n ASP 582 Ca 0.01 -1.54 -0.36 0.00 0.71 0.00 0.00 54.79 53.60 1sf8 n ASP 582 Cb 0.23 0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.30 1sf8 n ASP 582 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1sf8 s THR 583 N -2.12 5.17 -0.18 -3.53 -4.23 -0.98 -5.00 115.64 104.77 1sf8 s THR 583 Ca 0.31 0.11 -0.23 0.00 -1.18 0.00 0.00 61.69 60.70 1sf8 s THR 583 Cb 0.20 -3.39 -0.22 0.00 1.34 0.00 0.00 72.50 70.44 1sf8 s THR 583 CO 0.38 0.39 0.41 -0.08 -0.54 0.00 0.00 174.62 175.17 1sf8 h GLU 584 N 7.25 0.02 -6.30 3.99 4.57 -1.88 -3.47 114.58 118.76 1sf8 h GLU 584 Ca -0.38 -0.03 -0.65 0.00 -1.18 0.00 0.00 59.36 57.11 1sf8 h GLU 584 Cb 1.17 0.01 0.08 0.00 -0.16 0.00 0.00 28.75 29.85 1sf8 h GLU 584 CO 0.68 1.02 0.17 -0.40 -1.18 0.00 0.00 179.01 179.29 1sf8 n ASP 585 N -4.44 1.01 -1.20 1.04 5.75 -1.26 -4.83 116.55 112.62 1sf8 n ASP 585 Ca -0.25 1.15 -0.02 0.00 -0.01 0.00 0.00 54.79 55.65 1sf8 n ASP 585 Cb 0.64 -1.18 0.12 0.00 -1.03 0.00 0.00 41.12 39.66 1sf8 n ASP 585 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1sf8 n GLU 586 N 1.55 2.04 -0.02 0.11 -0.58 -1.26 -3.46 120.64 119.01 1sf8 n GLU 586 Ca 0.15 -1.14 0.05 0.00 -0.42 0.00 0.00 57.16 55.80 1sf8 n GLU 586 Cb 0.24 -1.64 -0.12 0.00 -0.57 0.00 0.00 31.44 29.35 1sf8 n GLU 586 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sf8 n ALA 587 N 0.09 2.42 -0.01 0.62 0.00 -1.26 -4.42 120.51 117.94 1sf8 n ALA 587 Ca 0.15 -0.47 0.08 0.00 0.00 0.00 0.00 53.44 53.20 1sf8 n ALA 587 Cb 0.74 -0.45 -0.14 0.00 0.00 0.00 0.00 19.45 19.60 1sf8 n ALA 587 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sf8 n LYS 588 N -2.13 0.59 0.00 0.00 3.00 -1.23 -4.39 118.16 114.00 1sf8 n LYS 588 Ca -0.06 -0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 1sf8 n LYS 588 Cb 0.50 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 34.10 1sf8 n LYS 588 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1sf8 n PHE 589 N -2.16 0.00 -0.36 5.64 7.35 -1.23 -0.61 117.46 126.09 1sf8 n PHE 589 Ca -0.05 0.00 0.31 0.00 -0.76 0.00 0.00 57.45 56.95 1sf8 n PHE 589 Cb 0.51 0.00 0.57 0.00 0.35 0.00 0.00 39.48 40.91 1sf8 n PHE 589 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1sf8 h SER 590 N 0.00 0.37 0.55 -2.13 4.64 -1.85 0.19 113.55 115.32 1sf8 h SER 590 Ca 0.00 0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1sf8 h SER 590 Cb 0.00 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1sf8 h SER 590 CO 0.00 -0.25 -0.49 -0.33 -0.87 0.00 0.00 176.83 174.89 1sf8 h GLU 591 N 0.14 -0.99 -0.03 4.77 4.39 -1.76 0.25 114.58 121.35 1sf8 h GLU 591 Ca 0.80 0.07 -0.05 0.00 0.34 0.00 0.00 59.36 60.52 1sf8 h GLU 591 Cb 2.14 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 31.01 1sf8 h GLU 591 CO -0.60 -0.66 -0.22 -1.49 -1.16 0.00 0.00 179.01 174.88 1sf8 h TRP 592 N -1.03 0.05 0.25 4.33 4.06 0.17 -2.17 115.95 121.62 1sf8 h TRP 592 Ca -0.07 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 1sf8 h TRP 592 Cb 0.87 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 1sf8 h TRP 592 CO -0.22 0.27 -0.12 0.28 -3.56 0.00 0.00 178.44 175.09 1sf8 h VAL 593 N 0.05 0.45 -0.96 1.49 2.07 -0.67 -2.16 116.25 116.52 1sf8 h VAL 593 Ca 0.01 -0.91 0.23 0.00 0.82 0.00 0.00 66.70 66.86 1sf8 h VAL 593 Cb 0.42 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1sf8 h VAL 593 CO 0.03 0.12 0.64 -0.33 0.02 0.00 0.00 177.57 178.05 1sf8 h GLU 594 N -0.99 0.34 0.45 1.57 4.39 -0.49 0.90 114.58 120.75 1sf8 h GLU 594 Ca -0.03 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1sf8 h GLU 594 Cb 0.45 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1sf8 h GLU 594 CO 0.06 0.23 -0.22 1.25 -1.16 0.00 0.00 179.01 179.17 1sf8 h LEU 595 N 0.35 -0.52 -1.00 1.33 5.85 -1.40 -2.12 115.31 117.80 1sf8 h LEU 595 Ca 0.51 -0.08 0.14 0.00 0.84 0.00 0.00 57.88 59.30 1sf8 h LEU 595 Cb 1.37 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.44 1sf8 h LEU 595 CO -0.19 -0.11 0.62 -0.07 -0.34 0.00 0.00 178.44 178.36 1sf8 h LEU 596 N -1.04 0.88 0.17 2.25 3.38 -0.67 -0.41 115.31 119.87 1sf8 h LEU 596 Ca -0.06 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sf8 h LEU 596 Cb 0.56 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1sf8 h LEU 596 CO 0.10 0.42 -0.08 0.25 0.09 0.00 0.00 178.44 179.22 1sf8 h LEU 597 N 0.92 -0.19 -1.34 1.67 5.85 -0.84 -2.44 115.31 118.93 1sf8 h LEU 597 Ca 0.53 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.25 1sf8 h LEU 597 Cb 0.63 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1sf8 h LEU 597 CO -0.31 -0.06 0.49 0.44 -0.34 0.00 0.00 178.44 178.67 1sf8 h ASP 598 N -0.31 0.70 -0.34 1.25 3.32 -0.61 -0.55 116.42 119.88 1sf8 h ASP 598 Ca -0.02 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1sf8 h ASP 598 Cb 0.24 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1sf8 h ASP 598 CO 0.04 0.45 0.13 1.56 -1.72 0.00 0.00 179.24 179.69 1sf8 h GLN 599 N 0.79 0.27 -0.11 3.56 4.20 -0.82 0.41 115.11 123.41 1sf8 h GLN 599 Ca 0.32 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 1sf8 h GLN 599 Cb 0.25 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1sf8 h GLN 599 CO -0.11 0.18 0.07 0.00 -0.67 0.00 0.00 178.83 178.30 1sf8 h ALA 600 N 1.21 0.14 -0.07 3.87 0.00 -0.69 0.79 119.26 124.51 1sf8 h ALA 600 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sf8 h ALA 600 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1sf8 h ALA 600 CO -0.15 -0.35 0.04 -0.07 0.00 0.00 0.00 179.25 178.72 1sf8 h LEU 601 N 0.12 0.06 -0.97 0.00 3.38 -0.79 0.19 115.31 117.31 1sf8 h LEU 601 Ca 0.04 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1sf8 h LEU 601 Cb 0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1sf8 h LEU 601 CO -0.01 0.05 0.63 0.25 0.09 0.00 0.00 178.44 179.45 1sf8 h LEU 602 N 0.09 1.00 -0.66 1.67 5.85 0.02 0.80 115.31 124.08 1sf8 h LEU 602 Ca 0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1sf8 h LEU 602 Cb -0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1sf8 h LEU 602 CO -0.02 0.64 0.00 0.00 -0.34 0.00 0.00 178.44 178.72 1sf8 h ALA 603 N 1.44 1.00 0.00 1.25 0.00 -0.35 0.49 119.26 123.09 1sf8 h ALA 603 Ca 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 1sf8 h ALA 603 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1sf8 h ALA 603 CO -0.17 0.00 -1.22 -1.91 0.00 0.00 0.00 179.25 175.95 1sf8 n GLU 604 N -2.95 0.53 0.18 0.00 4.07 0.01 -4.53 120.64 117.95 1sf8 n GLU 604 Ca 0.03 0.39 0.07 0.00 -0.06 0.00 0.00 57.16 57.59 1sf8 n GLU 604 Cb 0.40 -1.58 0.14 0.00 -0.06 0.00 0.00 31.44 30.34 1sf8 n GLU 604 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sf8 h ARG 605 N -1.00 0.00 0.00 5.31 3.08 0.41 -3.47 114.38 118.71 1sf8 h ARG 605 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1sf8 h ARG 605 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1sf8 h ARG 605 CO -0.13 0.26 0.00 0.41 -1.07 0.00 0.00 179.97 179.44 1sf8 n GLY 606 N 1.04 0.54 3.53 0.04 0.00 0.16 -4.94 105.19 105.56 1sf8 n GLY 606 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1sf8 n GLY 606 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sf8 s THR 607 N -2.33 0.00 0.23 2.61 -1.32 -1.25 -5.01 115.64 108.58 1sf8 s THR 607 Ca 0.00 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.59 1sf8 s THR 607 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1sf8 s THR 607 CO 0.00 0.00 -0.19 -0.76 -2.21 0.00 0.00 174.62 171.46 1sf8 s LEU 608 N -1.64 2.62 0.12 9.08 1.43 -1.26 -4.52 118.68 124.52 1sf8 s LEU 608 Ca -0.02 -0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 52.06 1sf8 s LEU 608 Cb -0.01 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1sf8 s LEU 608 CO -0.00 0.08 1.50 -0.33 0.23 0.00 0.00 176.35 177.82 1sf8 h GLU 609 N 2.68 0.80 -2.86 1.70 5.08 -2.01 -3.36 114.58 116.60 1sf8 h GLU 609 Ca -0.44 -0.35 -0.61 0.00 -1.00 0.00 0.00 59.36 56.97 1sf8 h GLU 609 Cb 1.23 -0.02 -0.41 0.00 0.50 0.00 0.00 28.75 30.05 1sf8 h GLU 609 CO 0.55 0.97 -0.66 -3.47 -1.00 0.00 0.00 179.01 175.39 1sf8 n ASP 610 N -4.27 2.31 -0.25 1.42 -0.08 -1.26 -4.97 116.55 109.45 1sf8 n ASP 610 Ca -0.02 -3.05 0.00 0.00 -1.51 0.00 0.00 54.79 50.22 1sf8 n ASP 610 Cb 0.41 -0.71 0.12 0.00 2.34 0.00 0.00 41.12 43.29 1sf8 n ASP 610 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1sf8 h PRO 611 N 5.33 0.69 -0.51 -0.67 0.11 -2.00 -2.30 132.00 132.65 1sf8 h PRO 611 Ca 0.18 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 1sf8 h PRO 611 Cb 0.78 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1sf8 h PRO 611 CO 0.65 0.46 0.17 -0.91 -0.21 0.00 0.00 178.00 178.16 1sf8 h ASN 612 N 0.71 0.69 0.10 -2.05 2.35 -1.96 -0.72 115.58 114.70 1sf8 h ASN 612 Ca 0.34 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1sf8 h ASN 612 Cb 0.26 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1sf8 h ASN 612 CO -0.21 0.64 -0.05 0.25 -1.65 0.00 0.00 177.43 176.41 1sf8 h LEU 613 N 0.74 -0.12 -0.94 1.61 5.85 -1.85 0.41 115.31 121.01 1sf8 h LEU 613 Ca 0.17 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.90 1sf8 h LEU 613 Cb 0.20 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 1sf8 h LEU 613 CO -0.01 0.02 0.58 0.15 -0.34 0.00 0.00 178.44 178.83 1sf8 h PHE 614 N -0.25 1.05 -0.40 1.25 3.57 -1.14 0.33 116.94 121.35 1sf8 h PHE 614 Ca -0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1sf8 h PHE 614 Cb 0.20 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1sf8 h PHE 614 CO -0.04 0.45 -0.03 0.82 -2.23 0.00 0.00 178.31 177.28 1sf8 h ILE 615 N 0.96 1.27 -0.58 1.41 2.04 -0.57 -2.85 117.51 119.19 1sf8 h ILE 615 Ca 0.45 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1sf8 h ILE 615 Cb 0.37 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1sf8 h ILE 615 CO -0.24 0.36 0.32 0.03 0.00 0.00 0.00 178.15 178.62 1sf8 h ARG 616 N 0.55 0.81 -0.26 2.37 3.08 0.12 -1.97 114.38 119.07 1sf8 h ARG 616 Ca 0.11 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1sf8 h ARG 616 Cb 0.53 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1sf8 h ARG 616 CO 0.03 0.61 0.00 0.54 -1.07 0.00 0.00 179.97 180.08 1sf8 n ARG 617 N -4.59 0.00 0.00 0.04 1.74 0.10 -1.32 116.66 112.63 1sf8 n ARG 617 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1sf8 n ARG 617 Cb 0.08 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1sf8 n ARG 617 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1sf8 n ASN 619 N 0.51 0.00 0.20 0.55 3.02 -0.74 -1.72 115.26 117.08 1sf8 n ASN 619 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 1sf8 n ASN 619 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 1sf8 n ASN 619 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1sf8 h GLN 620 N 0.00 -0.44 0.00 3.52 1.08 -1.47 -2.15 115.11 115.65 1sf8 h GLN 620 Ca 0.00 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1sf8 h GLN 620 Cb 0.00 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1sf8 h GLN 620 CO 0.00 -0.27 -0.10 -0.07 -0.95 0.00 0.00 178.83 177.44 1sf8 h LEU 621 N -0.49 0.00 -0.09 1.46 3.38 -1.60 -1.57 115.31 116.40 1sf8 h LEU 621 Ca -0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 1sf8 h LEU 621 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1sf8 h LEU 621 CO 0.08 0.10 -0.91 -0.07 0.09 0.00 0.00 178.44 177.72 1sf8 h LEU 622 N 0.00 0.00 0.12 1.67 3.38 -1.74 -3.31 115.31 115.43 1sf8 h LEU 622 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1sf8 h LEU 622 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1sf8 h LEU 622 CO 0.01 0.91 -1.00 0.58 0.09 0.00 0.00 178.44 179.04 1sf8 h VAL 623 N 0.00 1.35 0.00 1.22 2.07 -1.06 -3.50 116.25 116.32 1sf8 h VAL 623 Ca -0.01 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1sf8 h VAL 623 Cb 1.66 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 34.45 1sf8 h VAL 623 CO 0.12 0.70 0.00 -1.54 0.02 0.00 0.00 177.57 176.87