#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf8 h PHE 511 N 0.00 0.00 -0.76 7.33 3.57 -1.97 -3.08 116.94 122.03 1sf8 h PHE 511 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1sf8 h PHE 511 Cb 0.00 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 1sf8 h PHE 511 CO 0.00 0.00 0.38 0.82 -2.23 0.00 0.00 178.31 177.28 1sf8 h ILE 512 N -0.85 0.80 0.00 1.41 2.04 -1.99 0.38 117.51 119.30 1sf8 h ILE 512 Ca 0.00 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1sf8 h ILE 512 Cb 0.39 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1sf8 h ILE 512 CO 0.00 0.11 -0.19 0.44 0.00 0.00 0.00 178.15 178.51 1sf8 h ASP 513 N 0.60 0.00 0.94 1.72 3.32 -1.94 -0.32 116.42 120.75 1sf8 h ASP 513 Ca 0.39 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.22 1sf8 h ASP 513 Cb 0.46 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1sf8 h ASP 513 CO -0.30 0.19 -1.02 -0.09 -1.72 0.00 0.00 179.24 176.30 1sf8 h ARG 514 N 0.00 0.04 0.03 3.56 2.43 -0.32 -3.11 114.38 117.02 1sf8 h ARG 514 Ca -0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1sf8 h ARG 514 Cb 0.51 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1sf8 h ARG 514 CO 0.03 1.01 -0.02 0.28 -1.51 0.00 0.00 179.97 179.76 1sf8 h VAL 515 N 0.01 1.39 -0.93 0.20 2.07 -0.06 -3.06 116.25 115.87 1sf8 h VAL 515 Ca -0.02 -1.60 0.23 0.00 0.82 0.00 0.00 66.70 66.13 1sf8 h VAL 515 Cb 1.77 2.41 -0.06 0.00 -1.52 0.00 0.00 31.29 33.89 1sf8 h VAL 515 CO 0.14 0.39 0.63 0.11 0.02 0.00 0.00 177.57 178.85 1sf8 h LYS 516 N -0.78 0.30 -0.30 1.57 1.57 -1.19 0.86 116.57 118.60 1sf8 h LYS 516 Ca -0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1sf8 h LYS 516 Cb 0.68 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1sf8 h LYS 516 CO 0.01 0.20 -0.25 0.00 -0.57 0.00 0.00 179.45 178.84 1sf8 h ALA 517 N 1.60 0.44 0.38 3.86 0.00 -1.57 0.29 119.26 124.26 1sf8 h ALA 517 Ca 0.48 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1sf8 h ALA 517 Cb 1.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1sf8 h ALA 517 CO -0.16 0.43 -0.18 1.25 0.00 0.00 0.00 179.25 180.58 1sf8 h LEU 518 N 0.46 -0.44 -0.50 0.00 5.85 -0.77 -3.30 115.31 116.61 1sf8 h LEU 518 Ca 0.06 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1sf8 h LEU 518 Cb 0.81 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1sf8 h LEU 518 CO 0.06 -0.24 0.30 -0.07 -0.34 0.00 0.00 178.44 178.16 1sf8 h LEU 519 N -0.67 0.50 0.00 2.25 3.38 -1.40 -3.47 115.31 115.90 1sf8 h LEU 519 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sf8 h LEU 519 Cb 0.39 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1sf8 h LEU 519 CO 0.09 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1sf8 n GLY 520 N -1.24 1.64 0.00 0.83 0.00 0.09 -2.72 105.19 103.79 1sf8 n GLY 520 Ca 0.03 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1sf8 n GLY 520 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sf8 n GLU 521 N 12.82 1.00 0.26 1.61 -0.00 -1.26 -3.47 120.64 131.60 1sf8 n GLU 521 Ca 0.00 -0.00 0.18 0.00 -0.00 0.00 0.00 57.16 57.33 1sf8 n GLU 521 Cb 0.00 -1.38 0.82 0.00 -0.00 0.00 0.00 31.44 30.88 1sf8 n GLU 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sf8 h ARG 522 N 0.00 0.00 -4.79 3.44 3.08 -1.91 -3.43 114.38 110.78 1sf8 h ARG 522 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1sf8 h ARG 522 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 1sf8 h ARG 522 CO 0.00 0.00 -0.66 0.14 -1.07 0.00 0.00 179.97 178.38 1sf8 s VAL 523 N -3.75 0.65 -0.06 2.04 -7.23 -1.23 -4.82 120.40 106.01 1sf8 s VAL 523 Ca -0.01 -1.98 -0.21 0.00 -1.81 0.00 0.00 61.98 57.97 1sf8 s VAL 523 Cb 0.10 -2.13 -0.31 0.00 0.56 0.00 0.00 36.38 34.60 1sf8 s VAL 523 CO 0.44 -0.46 0.85 0.50 -0.31 0.00 0.00 175.10 176.12 1sf8 h LYS 524 N 2.69 0.28 -2.54 4.82 3.64 -0.13 -3.47 116.57 121.86 1sf8 h LYS 524 Ca -0.37 -0.48 0.07 0.00 -1.27 0.00 0.00 60.65 58.61 1sf8 h LYS 524 Cb 1.21 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 33.07 1sf8 h LYS 524 CO 0.62 1.23 0.39 0.34 -2.27 0.00 0.00 179.45 179.77 1sf8 s ASP 525 N -6.96 -0.40 -0.23 4.20 2.15 -1.23 -5.03 116.67 109.16 1sf8 s ASP 525 Ca -0.15 -0.07 0.01 0.00 0.43 0.00 0.00 52.55 52.77 1sf8 s ASP 525 Cb 0.01 0.48 0.06 0.00 -0.30 0.00 0.00 42.92 43.17 1sf8 s ASP 525 CO 0.82 -0.79 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.27 1sf8 s VAL 526 N -3.37 1.62 0.37 1.11 1.01 -1.26 -0.88 120.40 119.00 1sf8 s VAL 526 Ca 0.05 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 60.86 1sf8 s VAL 526 Cb -0.01 -1.85 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 1sf8 s VAL 526 CO -0.08 -0.06 0.03 -0.13 0.00 0.00 0.00 175.10 174.86 1sf8 s ARG 527 N 1.36 2.05 0.30 2.72 0.52 -0.54 -4.95 118.95 120.41 1sf8 s ARG 527 Ca -0.06 -1.86 0.05 0.00 -0.52 0.00 0.00 55.73 53.34 1sf8 s ARG 527 Cb -0.19 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 1sf8 s ARG 527 CO -0.06 0.05 0.44 -0.51 0.02 0.00 0.00 175.30 175.24 1sf8 s LEU 528 N -3.74 4.12 0.12 2.53 1.43 -1.26 -0.89 118.68 120.99 1sf8 s LEU 528 Ca 0.36 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.40 1sf8 s LEU 528 Cb 0.03 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1sf8 s LEU 528 CO 0.19 -0.26 0.26 -0.89 0.23 0.00 0.00 176.35 175.88 1sf8 s THR 529 N -2.13 0.11 0.00 5.49 2.01 0.89 -4.78 115.64 117.23 1sf8 s THR 529 Ca 0.39 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1sf8 s THR 529 Cb -0.09 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1sf8 s THR 529 CO 0.31 -0.48 0.44 1.41 -0.69 0.00 0.00 174.62 175.61 1sf8 n HIS 530 N -0.14 0.00 0.37 4.92 8.25 -1.26 -4.10 115.22 123.26 1sf8 n HIS 530 Ca -0.13 -0.08 0.03 0.00 -0.26 0.00 0.00 57.72 57.28 1sf8 n HIS 530 Cb 0.63 -0.01 0.14 0.00 1.12 0.00 0.00 29.99 31.87 1sf8 n HIS 530 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1sf8 n ARG 531 N -0.08 2.36 -5.03 -0.41 1.85 -1.26 -4.74 116.66 109.35 1sf8 n ARG 531 Ca 0.00 -1.13 -0.29 0.00 -1.00 0.00 0.00 57.85 55.44 1sf8 n ARG 531 Cb 0.15 -1.74 -0.16 0.00 -1.05 0.00 0.00 32.46 29.65 1sf8 n ARG 531 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1sf8 s LEU 532 N -1.00 1.98 -0.19 2.89 1.43 -1.26 -5.07 118.68 117.47 1sf8 s LEU 532 Ca 0.20 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.72 1sf8 s LEU 532 Cb 0.15 -1.16 -0.07 0.00 0.03 0.00 0.00 46.19 45.13 1sf8 s LEU 532 CO 0.06 0.19 -0.32 0.41 0.23 0.00 0.00 176.35 176.92 1sf8 n THR 533 N 3.11 1.44 0.49 5.49 -1.04 -1.26 -4.81 114.28 117.70 1sf8 n THR 533 Ca -0.18 -0.03 0.06 0.00 -2.04 0.00 0.00 64.05 61.86 1sf8 n THR 533 Cb 0.52 -2.11 -0.07 0.00 -1.82 0.00 0.00 70.33 66.85 1sf8 n THR 533 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1sf8 n ASP 534 N -4.28 0.82 -4.82 8.00 5.68 -1.26 -4.92 116.55 115.77 1sf8 n ASP 534 Ca -0.27 -0.67 -0.38 0.00 -0.50 0.00 0.00 54.79 52.98 1sf8 n ASP 534 Cb 0.61 1.09 -0.06 0.00 -1.14 0.00 0.00 41.12 41.62 1sf8 n ASP 534 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1sf8 s THR 535 N -2.27 4.76 0.17 2.12 -4.23 -1.26 -5.01 115.64 109.93 1sf8 s THR 535 Ca 0.03 1.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.69 1sf8 s THR 535 Cb 0.09 -3.86 -0.12 0.00 1.34 0.00 0.00 72.50 69.94 1sf8 s THR 535 CO 0.51 0.50 1.41 1.55 -0.54 0.00 0.00 174.62 178.05 1sf8 h PRO 536 N 4.35 0.30 -2.35 3.99 0.13 -1.94 -3.43 132.00 133.06 1sf8 h PRO 536 Ca -0.49 -0.28 0.12 0.00 -0.87 0.00 0.00 66.00 64.47 1sf8 h PRO 536 Cb 1.21 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 1sf8 h PRO 536 CO 0.64 0.95 0.47 0.00 -0.23 0.00 0.00 178.00 179.83 1sf8 s ALA 537 N -3.43 -1.77 0.31 -0.56 0.00 -1.26 -0.39 121.76 114.66 1sf8 s ALA 537 Ca -0.04 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 1sf8 s ALA 537 Cb 0.10 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.74 1sf8 s ALA 537 CO 0.83 -0.78 0.47 0.44 0.00 0.00 0.00 175.76 176.73 1sf8 n ILE 538 N -0.31 0.00 -3.95 0.00 -6.64 -0.57 -4.63 119.36 103.26 1sf8 n ILE 538 Ca -0.09 -1.36 -0.10 0.00 -1.77 0.00 0.00 62.75 59.44 1sf8 n ILE 538 Cb 0.62 0.91 -0.11 0.00 -1.44 0.00 0.00 39.64 39.62 1sf8 n ILE 538 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1sf8 s VAL 539 N -2.64 0.11 0.33 7.28 0.11 -1.26 -1.61 120.40 122.71 1sf8 s VAL 539 Ca 0.22 -0.89 -0.08 0.00 -2.93 0.00 0.00 61.98 58.30 1sf8 s VAL 539 Cb -0.02 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1sf8 s VAL 539 CO 0.16 -0.49 0.54 -0.94 -3.33 0.00 0.00 175.10 171.04 1sf8 s SER 540 N -1.51 0.46 0.02 3.54 1.04 -0.75 -4.92 113.70 111.58 1sf8 s SER 540 Ca -0.15 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.04 1sf8 s SER 540 Cb -0.08 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 1sf8 s SER 540 CO -0.01 -1.34 -0.08 0.42 0.98 0.00 0.00 173.24 173.21 1sf8 s THR 541 N -3.15 0.58 0.29 2.02 -4.23 -1.26 0.17 115.64 110.05 1sf8 s THR 541 Ca 0.25 -0.75 -0.29 0.00 -1.18 0.00 0.00 61.69 59.72 1sf8 s THR 541 Cb -0.01 -0.58 -0.10 0.00 1.34 0.00 0.00 72.50 73.15 1sf8 s THR 541 CO 0.15 -0.14 1.42 -1.81 -0.54 0.00 0.00 174.62 173.71 1sf8 s ASP 542 N -0.97 6.63 0.66 3.99 1.01 -1.26 -4.88 116.67 121.85 1sf8 s ASP 542 Ca -0.04 2.74 0.36 0.00 0.71 0.00 0.00 52.55 56.32 1sf8 s ASP 542 Cb -0.07 -2.64 1.98 0.00 1.01 0.00 0.00 42.92 43.21 1sf8 s ASP 542 CO 0.00 -0.69 2.14 0.00 0.21 0.00 0.00 175.17 176.83 1sf8 h ALA 543 N 4.33 1.25 -0.01 5.23 0.00 -2.02 0.29 119.26 128.34 1sf8 h ALA 543 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sf8 h ALA 543 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1sf8 h ALA 543 CO 0.73 -0.19 -0.35 -0.40 0.00 0.00 0.00 179.25 179.03 1sf8 n ASP 544 N -3.09 0.89 0.00 0.00 5.75 -1.26 -5.01 116.55 113.83 1sf8 n ASP 544 Ca -0.02 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 1sf8 n ASP 544 Cb 0.24 0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1sf8 n ASP 544 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1sf8 n GLU 545 N -0.91 0.00 -4.10 0.11 1.02 0.10 -5.27 120.64 111.60 1sf8 n GLU 545 Ca 0.10 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.13 1sf8 n GLU 545 Cb 0.35 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.69 1sf8 n GLU 545 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1sf8 s SER 547 N -0.18 0.07 0.03 1.62 1.04 -1.26 -4.84 113.70 110.18 1sf8 s SER 547 Ca 0.00 -1.17 -0.21 0.00 0.48 0.00 0.00 55.95 55.06 1sf8 s SER 547 Cb 0.00 0.45 -0.15 0.00 0.10 0.00 0.00 66.02 66.42 1sf8 s SER 547 CO 0.00 -0.94 1.33 0.74 0.98 0.00 0.00 173.24 175.35 1sf8 h THR 548 N 2.50 1.35 0.00 2.02 2.02 -1.99 -2.45 112.91 116.36 1sf8 h THR 548 Ca -0.32 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1sf8 h THR 548 Cb 1.24 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1sf8 h THR 548 CO 0.47 0.38 0.00 0.00 0.37 0.00 0.00 175.52 176.74 1sf8 n GLN 549 N -4.56 0.41 0.00 6.66 10.64 -1.26 -2.47 117.38 126.79 1sf8 n GLN 549 Ca -0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 1sf8 n GLN 549 Cb 0.36 -1.29 0.00 0.00 -0.86 0.00 0.00 30.24 28.45 1sf8 n GLN 549 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sf8 n ALA 551 N 0.89 0.00 0.04 2.61 0.00 -0.92 -2.28 120.51 120.86 1sf8 n ALA 551 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1sf8 n ALA 551 Cb 0.21 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.73 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 0.41 -0.14 0.00 1.57 -1.77 -2.85 116.57 113.79 1sf8 h LYS 552 Ca 0.00 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 1sf8 h LYS 552 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1sf8 h LYS 552 CO 0.00 0.90 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.53 1sf8 h LEU 553 N 0.30 0.22 0.20 2.94 3.38 -1.76 0.11 115.31 120.70 1sf8 h LEU 553 Ca -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1sf8 h LEU 553 Cb 1.16 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1sf8 h LEU 553 CO 0.11 0.42 -0.10 -0.26 0.09 0.00 0.00 178.44 178.70 1sf8 h PHE 554 N 0.22 -0.25 -0.59 1.13 -1.00 -1.81 0.58 116.94 115.22 1sf8 h PHE 554 Ca 0.04 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.83 1sf8 h PHE 554 Cb 0.44 0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.05 1sf8 h PHE 554 CO 0.01 -0.09 0.39 0.00 -1.61 0.00 0.00 178.31 177.01 1sf8 h ALA 555 N 0.44 1.60 0.00 2.45 0.00 -1.28 0.90 119.26 123.38 1sf8 h ALA 555 Ca -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1sf8 h ALA 555 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sf8 h ALA 555 CO 0.04 0.36 -0.21 0.00 0.00 0.00 0.00 179.25 179.44 1sf8 h ALA 556 N 1.64 1.52 -0.49 0.00 0.00 -0.09 -0.46 119.26 121.37 1sf8 h ALA 556 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sf8 h ALA 556 Cb -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sf8 h ALA 556 CO -0.05 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1sf8 n ALA 557 N -2.44 3.52 -3.66 0.00 0.00 0.17 -4.91 120.51 113.19 1sf8 n ALA 557 Ca -0.02 -1.53 -0.25 0.00 0.00 0.00 0.00 53.44 51.64 1sf8 n ALA 557 Cb 0.28 -1.09 0.07 0.00 0.00 0.00 0.00 19.45 18.71 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 0.62 -0.53 3.66 0.00 0.00 -0.18 -5.00 105.19 103.76 1sf8 n GLY 558 Ca 0.23 0.24 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 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 -6.33 2.38 0.07 1.61 -1.52 -0.35 -5.00 119.66 110.52 1sf8 s GLN 559 Ca 0.57 -1.14 -0.31 0.00 -1.95 0.00 0.00 55.36 52.53 1sf8 s GLN 559 Cb -0.26 -2.33 -0.08 0.00 -0.22 0.00 0.00 33.01 30.11 1sf8 s GLN 559 CO 0.75 0.45 1.67 0.21 -0.25 0.00 0.00 175.29 178.12 1sf8 s LYS 560 N -3.00 4.19 0.06 2.91 2.20 -1.26 -3.86 119.74 120.98 1sf8 s LYS 560 Ca 0.28 2.35 -0.31 0.00 -0.36 0.00 0.00 55.97 57.93 1sf8 s LYS 560 Cb -0.09 -3.60 -0.08 0.00 -1.51 0.00 0.00 37.83 32.54 1sf8 s LYS 560 CO 0.18 -0.75 1.68 0.08 -0.36 0.00 0.00 175.35 176.19 1sf8 s VAL 561 N 2.67 3.07 0.67 4.02 1.01 -1.26 -4.85 120.40 125.73 1sf8 s VAL 561 Ca 0.75 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 63.02 1sf8 s VAL 561 Cb -0.40 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1sf8 s VAL 561 CO 0.33 -0.01 1.21 -2.84 0.00 0.00 0.00 175.10 173.79 1sf8 s PRO 562 N 2.92 2.50 0.15 2.72 0.02 -1.26 -4.94 135.00 137.11 1sf8 s PRO 562 Ca 0.75 1.80 -0.31 0.00 0.02 0.00 0.00 61.00 63.26 1sf8 s PRO 562 Cb -0.40 -1.87 -0.08 0.00 0.02 0.00 0.00 34.50 32.17 1sf8 s PRO 562 CO 0.33 -1.56 1.37 -2.00 -0.33 0.00 0.00 177.00 174.80 1sf8 s GLU 563 N -3.67 4.34 -0.23 5.54 2.12 -1.26 -4.96 118.70 120.58 1sf8 s GLU 563 Ca 0.76 2.09 -0.06 0.00 0.36 0.00 0.00 54.97 58.12 1sf8 s GLU 563 Cb -0.30 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 1sf8 s GLU 563 CO 0.40 -0.38 0.03 0.08 -0.54 0.00 0.00 175.26 174.86 1sf8 s VAL 564 N 0.70 4.07 -0.45 3.70 1.01 -1.26 -5.02 120.40 123.15 1sf8 s VAL 564 Ca 0.62 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 1sf8 s VAL 564 Cb -0.37 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.17 1sf8 s VAL 564 CO 0.34 0.38 0.48 -0.54 0.00 0.00 0.00 175.10 175.76 1sf8 s LYS 565 N 1.40 3.09 0.15 2.72 1.02 -1.26 -5.00 119.74 121.85 1sf8 s LYS 565 Ca 0.05 -0.88 -0.19 0.00 0.02 0.00 0.00 55.97 54.97 1sf8 s LYS 565 Cb -0.15 -4.03 -0.07 0.00 -0.52 0.00 0.00 37.83 33.06 1sf8 s LYS 565 CO 0.02 -0.97 0.64 0.71 -0.92 0.00 0.00 175.35 174.83 1sf8 s TYR 566 N 2.19 3.74 -0.37 3.18 4.12 -1.26 -4.61 117.35 124.34 1sf8 s TYR 566 Ca 0.12 1.32 -0.06 0.00 0.02 0.00 0.00 57.07 58.47 1sf8 s TYR 566 Cb -0.19 -2.55 0.06 0.00 -1.52 0.00 0.00 41.96 37.77 1sf8 s TYR 566 CO 0.12 0.47 0.16 0.42 0.02 0.00 0.00 175.55 176.74 1sf8 s ILE 567 N -1.31 3.77 -0.59 2.71 1.01 0.13 0.59 121.20 127.50 1sf8 s ILE 567 Ca 0.36 -1.37 -0.28 0.00 0.00 0.00 0.00 60.65 59.36 1sf8 s ILE 567 Cb -0.18 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.05 1sf8 s ILE 567 CO 0.21 -0.34 1.34 0.12 0.00 0.00 0.00 174.94 176.27 1sf8 s PHE 568 N 1.36 2.36 -0.34 3.97 5.36 -0.06 -1.82 117.98 128.81 1sf8 s PHE 568 Ca 0.01 0.40 -0.11 0.00 -0.96 0.00 0.00 56.93 56.27 1sf8 s PHE 568 Cb -0.21 -4.45 0.00 0.00 -0.34 0.00 0.00 43.02 38.02 1sf8 s PHE 568 CO 0.01 -1.89 0.20 -1.21 -1.46 0.00 0.00 175.22 170.87 1sf8 s GLU 569 N 5.41 3.17 0.27 10.12 2.02 -0.63 -1.46 118.70 137.60 1sf8 s GLU 569 Ca 0.48 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.62 1sf8 s GLU 569 Cb -0.10 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1sf8 s GLU 569 CO 0.24 -0.54 0.47 -0.51 0.02 0.00 0.00 175.26 174.94 1sf8 s LEU 570 N 1.62 4.14 -0.40 1.80 1.43 -0.07 -1.52 118.68 125.68 1sf8 s LEU 570 Ca 0.04 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1sf8 s LEU 570 Cb -0.18 -3.24 0.05 0.00 0.03 0.00 0.00 46.19 42.85 1sf8 s LEU 570 CO 0.07 -0.15 0.23 0.21 0.23 0.00 0.00 176.35 176.94 1sf8 s ASN 571 N -3.53 5.68 0.37 2.29 3.84 0.48 -0.08 114.94 123.99 1sf8 s ASN 571 Ca 0.39 -1.25 0.04 0.00 0.21 0.00 0.00 52.86 52.25 1sf8 s ASN 571 Cb -0.10 -2.00 0.70 0.00 -0.55 0.00 0.00 41.25 39.29 1sf8 s ASN 571 CO 0.31 -0.47 2.02 -0.65 -2.79 0.00 0.00 177.10 175.53 1sf8 h PRO 572 N 8.43 0.75 -0.89 0.43 0.11 -1.88 -2.62 132.00 136.33 1sf8 h PRO 572 Ca -0.24 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1sf8 h PRO 572 Cb 1.09 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1sf8 h PRO 572 CO 0.72 0.50 0.03 -0.25 -0.21 0.00 0.00 178.00 178.78 1sf8 n ASP 573 N -4.45 2.58 -4.61 -2.05 8.00 -1.26 -4.54 116.55 110.22 1sf8 n ASP 573 Ca 0.06 -2.32 -0.34 0.00 0.71 0.00 0.00 54.79 52.90 1sf8 n ASP 573 Cb 0.05 -0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 1sf8 n ASP 573 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1sf8 s HIS 574 N -1.46 3.07 0.19 1.24 2.46 -0.99 -5.02 115.29 114.77 1sf8 s HIS 574 Ca 0.17 0.01 -0.19 0.00 0.47 0.00 0.00 55.06 55.53 1sf8 s HIS 574 Cb 0.13 -1.82 0.14 0.00 -0.13 0.00 0.00 32.58 30.90 1sf8 s HIS 574 CO 0.05 0.29 1.61 0.28 -2.47 0.00 0.00 174.74 174.49 1sf8 h VAL 575 N 4.47 0.27 -0.69 0.89 2.07 -1.89 -1.18 116.25 120.19 1sf8 h VAL 575 Ca -0.44 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1sf8 h VAL 575 Cb 1.19 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1sf8 h VAL 575 CO 0.57 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 178.38 1sf8 h LEU 576 N -0.13 0.92 -0.06 2.57 3.38 -1.95 -0.48 115.31 119.55 1sf8 h LEU 576 Ca 0.24 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1sf8 h LEU 576 Cb 0.51 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1sf8 h LEU 576 CO -0.61 0.81 0.02 0.58 0.09 0.00 0.00 178.44 179.33 1sf8 h VAL 577 N 1.00 1.16 -0.11 1.22 2.07 -1.56 -1.21 116.25 118.81 1sf8 h VAL 577 Ca 0.24 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1sf8 h VAL 577 Cb 0.17 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1sf8 h VAL 577 CO -0.02 0.13 0.07 0.11 0.02 0.00 0.00 177.57 177.88 1sf8 h LYS 578 N -0.07 0.14 -0.81 1.57 1.57 -1.04 -0.39 116.57 117.54 1sf8 h LYS 578 Ca 0.02 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 1sf8 h LYS 578 Cb 0.19 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 1sf8 h LYS 578 CO -0.00 0.09 0.47 -0.09 -0.57 0.00 0.00 179.45 179.35 1sf8 h ARG 579 N 0.14 0.80 -0.40 3.15 2.43 -1.01 0.17 114.38 119.66 1sf8 h ARG 579 Ca 0.04 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1sf8 h ARG 579 Cb -0.01 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1sf8 h ARG 579 CO -0.02 0.53 0.01 0.00 -1.51 0.00 0.00 179.97 178.99 1sf8 h ALA 580 N 1.42 1.28 0.11 2.80 0.00 -0.74 -3.12 119.26 121.01 1sf8 h ALA 580 Ca 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1sf8 h ALA 580 Cb 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sf8 h ALA 580 CO -0.22 0.49 -0.05 0.00 0.00 0.00 0.00 179.25 179.47 1sf8 h ALA 581 N 1.42 -0.15 0.00 0.00 0.00 0.69 -3.25 119.26 117.97 1sf8 h ALA 581 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sf8 h ALA 581 Cb 0.36 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sf8 h ALA 581 CO 0.01 -0.29 0.00 -0.25 0.00 0.00 0.00 179.25 178.73 1sf8 n ASP 582 N -4.89 3.68 -4.46 0.00 8.00 0.42 -4.79 116.55 114.51 1sf8 n ASP 582 Ca -0.08 -1.96 -0.35 0.00 0.71 0.00 0.00 54.79 53.11 1sf8 n ASP 582 Cb 0.28 -0.74 -0.12 0.00 -0.02 0.00 0.00 41.12 40.51 1sf8 n ASP 582 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sf8 s THR 583 N 0.34 3.96 -0.02 -3.53 2.01 -1.20 -4.99 115.64 112.21 1sf8 s THR 583 Ca 0.00 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1sf8 s THR 583 Cb 0.00 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 1sf8 s THR 583 CO 0.00 0.44 0.26 -0.33 -0.69 0.00 0.00 174.62 174.30 1sf8 h GLU 584 N 7.36 -0.09 -5.55 4.92 3.07 -1.92 -3.44 114.58 118.94 1sf8 h GLU 584 Ca -0.35 0.01 -0.57 0.00 -0.50 0.00 0.00 59.36 57.94 1sf8 h GLU 584 Cb 1.18 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 29.07 1sf8 h GLU 584 CO 0.61 -0.06 1.58 -3.47 -1.40 0.00 0.00 179.01 176.28 1sf8 n ASP 585 N -2.92 1.34 0.12 1.42 2.03 -1.26 -4.77 116.55 112.50 1sf8 n ASP 585 Ca -0.01 0.15 0.09 0.00 0.52 0.00 0.00 54.79 55.53 1sf8 n ASP 585 Cb 0.04 -1.17 0.57 0.00 -0.72 0.00 0.00 41.12 39.84 1sf8 n ASP 585 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1sf8 h GLU 586 N 13.49 0.19 -0.60 -0.67 4.11 -1.98 0.94 114.58 130.07 1sf8 h GLU 586 Ca -0.16 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 1sf8 h GLU 586 Cb 1.32 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1sf8 h GLU 586 CO 1.19 0.13 0.36 0.00 0.07 0.00 0.00 179.01 180.76 1sf8 h ALA 587 N 1.87 0.76 -0.03 1.06 0.00 -1.98 -0.08 119.26 120.85 1sf8 h ALA 587 Ca 0.10 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1sf8 h ALA 587 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sf8 h ALA 587 CO -0.02 0.24 -0.74 -0.22 0.00 0.00 0.00 179.25 178.52 1sf8 h LYS 588 N 0.81 0.19 -0.62 0.00 1.63 -1.68 -3.08 116.57 113.82 1sf8 h LYS 588 Ca 0.21 -0.16 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1sf8 h LYS 588 Cb -0.02 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 1sf8 h LYS 588 CO -0.04 0.84 0.40 0.35 -3.45 0.00 0.00 179.45 177.55 1sf8 h PHE 589 N 0.12 0.76 0.23 1.91 3.57 -0.09 -2.89 116.94 120.55 1sf8 h PHE 589 Ca -0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1sf8 h PHE 589 Cb 1.30 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1sf8 h PHE 589 CO 0.02 0.47 -0.29 1.03 -2.23 0.00 0.00 178.31 177.31 1sf8 h SER 590 N 0.82 -0.79 -1.04 0.41 0.87 -0.95 -2.39 113.55 110.48 1sf8 h SER 590 Ca 0.23 0.08 0.27 0.00 -1.23 0.00 0.00 61.79 61.14 1sf8 h SER 590 Cb -0.06 0.28 -0.11 0.00 -0.44 0.00 0.00 62.40 62.06 1sf8 h SER 590 CO -0.06 -0.40 0.65 -0.33 -0.53 0.00 0.00 176.83 176.15 1sf8 h GLU 591 N -0.57 0.43 -0.29 2.24 5.08 -1.52 0.92 114.58 120.87 1sf8 h GLU 591 Ca 0.00 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1sf8 h GLU 591 Cb 0.55 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1sf8 h GLU 591 CO -0.10 0.28 -0.19 -1.49 -1.00 0.00 0.00 179.01 176.52 1sf8 h TRP 592 N 0.44 0.75 -0.16 4.33 4.06 -1.31 -1.82 115.95 122.24 1sf8 h TRP 592 Ca 0.64 -0.20 -0.01 0.00 2.06 0.00 0.00 58.89 61.38 1sf8 h TRP 592 Cb 1.48 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 29.46 1sf8 h TRP 592 CO -0.00 0.90 0.07 0.28 -3.56 0.00 0.00 178.44 176.12 1sf8 h VAL 593 N 0.39 1.15 -0.59 1.49 2.07 -0.59 -1.79 116.25 118.38 1sf8 h VAL 593 Ca 0.06 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1sf8 h VAL 593 Cb 0.73 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1sf8 h VAL 593 CO 0.05 0.14 0.28 -0.33 0.02 0.00 0.00 177.57 177.73 1sf8 h GLU 594 N 0.11 0.51 -0.73 1.57 4.39 -0.90 0.60 114.58 120.13 1sf8 h GLU 594 Ca 0.05 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1sf8 h GLU 594 Cb 0.16 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1sf8 h GLU 594 CO -0.01 0.33 0.26 1.25 -1.16 0.00 0.00 179.01 179.69 1sf8 h LEU 595 N 0.52 1.04 -0.17 1.33 5.85 -1.17 -0.19 115.31 122.52 1sf8 h LEU 595 Ca 0.27 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1sf8 h LEU 595 Cb 0.23 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1sf8 h LEU 595 CO -0.21 0.95 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.77 1sf8 h LEU 596 N 1.07 0.30 -0.36 2.25 3.38 -0.56 -1.62 115.31 119.77 1sf8 h LEU 596 Ca 0.24 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1sf8 h LEU 596 Cb 0.26 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1sf8 h LEU 596 CO -0.01 0.53 0.22 0.25 0.09 0.00 0.00 178.44 179.52 1sf8 h LEU 597 N 0.05 0.42 -0.31 1.67 5.85 -0.79 -1.57 115.31 120.64 1sf8 h LEU 597 Ca 0.05 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1sf8 h LEU 597 Cb 0.38 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1sf8 h LEU 597 CO 0.01 0.34 0.13 0.44 -0.34 0.00 0.00 178.44 179.02 1sf8 h ASP 598 N 0.47 0.18 0.01 1.25 5.19 -0.96 0.29 116.42 122.85 1sf8 h ASP 598 Ca 0.13 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.49 1sf8 h ASP 598 Cb -0.01 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1sf8 h ASP 598 CO -0.03 0.14 -0.18 0.06 -3.12 0.00 0.00 179.24 176.11 1sf8 h GLN 599 N 0.29 0.33 -0.27 3.56 3.07 -1.13 0.14 115.11 121.09 1sf8 h GLN 599 Ca 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 1sf8 h GLN 599 Cb 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 1sf8 h GLN 599 CO -0.11 0.51 0.11 0.00 0.09 0.00 0.00 178.83 179.42 1sf8 h ALA 600 N 1.51 0.35 -0.45 0.06 0.00 -0.30 -1.05 119.26 119.39 1sf8 h ALA 600 Ca 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1sf8 h ALA 600 Cb 0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1sf8 h ALA 600 CO 0.03 -0.05 0.15 -0.07 0.00 0.00 0.00 179.25 179.32 1sf8 h LEU 601 N 0.29 0.64 -1.14 0.00 3.38 0.02 -1.28 115.31 117.22 1sf8 h LEU 601 Ca 0.09 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1sf8 h LEU 601 Cb 0.19 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1sf8 h LEU 601 CO -0.01 0.66 0.60 0.25 0.09 0.00 0.00 178.44 180.03 1sf8 h LEU 602 N 0.58 0.84 -0.31 1.67 5.85 -0.49 0.63 115.31 124.08 1sf8 h LEU 602 Ca 0.15 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.70 1sf8 h LEU 602 Cb 0.24 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1sf8 h LEU 602 CO -0.01 0.47 -0.78 0.00 -0.34 0.00 0.00 178.44 177.79 1sf8 h ALA 603 N 1.55 0.49 0.01 1.25 0.00 -0.80 0.19 119.26 121.96 1sf8 h ALA 603 Ca 0.45 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1sf8 h ALA 603 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sf8 h ALA 603 CO -0.21 0.75 -0.15 1.49 0.00 0.00 0.00 179.25 181.14 1sf8 h GLU 604 N 0.33 0.08 0.00 0.00 4.57 -0.21 -3.37 114.58 115.97 1sf8 h GLU 604 Ca -0.04 -0.10 -0.18 0.00 -1.18 0.00 0.00 59.36 57.86 1sf8 h GLU 604 Cb 1.37 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.97 1sf8 h GLU 604 CO 0.14 0.93 -1.37 0.00 -1.18 0.00 0.00 179.01 177.53 1sf8 h ARG 605 N -0.72 0.00 0.00 1.92 3.08 0.11 -3.48 114.38 115.28 1sf8 h ARG 605 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1sf8 h ARG 605 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1sf8 h ARG 605 CO 0.03 0.34 0.00 0.41 -1.07 0.00 0.00 179.97 179.68 1sf8 n GLY 606 N 1.40 0.75 3.49 0.04 0.00 0.68 -4.97 105.19 106.59 1sf8 n GLY 606 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.92 0.00 0.15 2.61 -1.32 -1.24 -5.01 115.64 107.92 1sf8 s THR 607 Ca 0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 1sf8 s THR 607 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1sf8 s THR 607 CO 0.00 0.00 -0.21 -0.76 -2.21 0.00 0.00 174.62 171.44 1sf8 s LEU 608 N -2.01 2.39 0.00 9.08 1.43 -1.26 -4.51 118.68 123.81 1sf8 s LEU 608 Ca -0.02 -0.81 0.31 0.00 -1.03 0.00 0.00 54.13 52.58 1sf8 s LEU 608 Cb -0.01 -0.98 1.72 0.00 0.03 0.00 0.00 46.19 46.95 1sf8 s LEU 608 CO -0.04 0.05 2.12 -1.84 0.23 0.00 0.00 176.35 176.88 1sf8 n GLU 609 N 0.53 0.76 -2.79 1.70 0.28 -1.26 -4.17 120.64 115.69 1sf8 n GLU 609 Ca -0.15 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.76 1sf8 n GLU 609 Cb 0.55 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.97 1sf8 n GLU 609 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1sf8 n ASP 610 N -1.11 -2.58 -0.25 -1.84 -0.08 -1.26 -5.02 116.55 104.41 1sf8 n ASP 610 Ca 0.20 -3.28 0.04 0.00 -1.51 0.00 0.00 54.79 50.24 1sf8 n ASP 610 Cb 0.16 1.62 0.17 0.00 2.34 0.00 0.00 41.12 45.40 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 3.93 0.43 -0.91 -0.67 0.11 -2.00 -1.90 132.00 130.98 1sf8 h PRO 611 Ca -0.13 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 1sf8 h PRO 611 Cb 1.02 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 1sf8 h PRO 611 CO 0.33 0.28 0.57 -0.91 -0.21 0.00 0.00 178.00 178.06 1sf8 h ASN 612 N 0.44 1.09 -0.97 -2.05 2.35 -1.96 0.10 115.58 114.58 1sf8 h ASN 612 Ca 0.39 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1sf8 h ASN 612 Cb 0.56 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 1sf8 h ASN 612 CO -0.38 0.82 0.62 0.25 -1.65 0.00 0.00 177.43 177.09 1sf8 h LEU 613 N 1.25 1.14 0.63 1.61 5.85 -1.78 0.46 115.31 124.47 1sf8 h LEU 613 Ca 0.33 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1sf8 h LEU 613 Cb -0.08 -0.29 0.01 0.00 0.37 0.00 0.00 40.66 40.67 1sf8 h LEU 613 CO -0.06 0.85 -0.30 0.15 -0.34 0.00 0.00 178.44 178.73 1sf8 h PHE 614 N 1.33 -0.78 -0.44 1.25 3.57 -0.84 -0.67 116.94 120.35 1sf8 h PHE 614 Ca 0.35 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.92 1sf8 h PHE 614 Cb -0.11 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 38.81 1sf8 h PHE 614 CO 0.00 -0.44 -0.09 0.82 -2.23 0.00 0.00 178.31 176.37 1sf8 h ILE 615 N -1.05 0.58 -0.42 1.41 2.04 -0.57 -0.83 117.51 118.68 1sf8 h ILE 615 Ca -0.09 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.84 1sf8 h ILE 615 Cb 0.69 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 1sf8 h ILE 615 CO 0.14 0.00 -0.01 -0.09 0.00 0.00 0.00 178.15 178.19 1sf8 h ARG 616 N 0.02 0.09 -0.37 2.37 2.43 -0.02 -0.78 114.38 118.12 1sf8 h ARG 616 Ca 0.21 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1sf8 h ARG 616 Cb 0.32 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1sf8 h ARG 616 CO -0.43 0.06 0.00 0.54 -1.51 0.00 0.00 179.97 178.62 1sf8 n ARG 617 N -5.22 0.00 0.00 0.20 1.74 -0.27 -1.43 116.66 111.69 1sf8 n ARG 617 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1sf8 n ARG 617 Cb 0.22 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 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 0.12 0.55 3.02 -0.30 -2.23 115.26 116.93 1sf8 n ASN 619 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1sf8 n ASN 619 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.37 -0.28 3.52 1.08 -1.50 -2.52 115.11 115.03 1sf8 h GLN 620 Ca 0.00 0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1sf8 h GLN 620 Cb 0.00 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1sf8 h GLN 620 CO 0.00 -0.25 -0.24 -0.07 -0.95 0.00 0.00 178.83 177.32 1sf8 h LEU 621 N -0.39 0.54 -1.97 1.46 3.38 -1.74 -2.95 115.31 113.65 1sf8 h LEU 621 Ca 0.02 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1sf8 h LEU 621 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1sf8 h LEU 621 CO -0.09 0.78 0.13 -0.07 0.09 0.00 0.00 178.44 179.28 1sf8 h LEU 622 N 0.48 0.04 0.00 1.67 3.38 -1.72 -3.33 115.31 115.83 1sf8 h LEU 622 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1sf8 h LEU 622 Cb 0.67 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1sf8 h LEU 622 CO 0.05 0.02 0.00 0.52 0.09 0.00 0.00 178.44 179.12 1sf8 n VAL 623 N -4.49 0.00 1.70 1.22 0.31 -1.00 -5.09 118.33 110.98 1sf8 n VAL 623 Ca 0.01 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.49 1sf8 n VAL 623 Cb 0.23 -0.13 0.70 0.00 -0.91 0.00 0.00 33.84 33.73 1sf8 n VAL 623 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97