#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 -0.88 -1.02 7.33 3.57 -2.00 -2.82 116.94 121.12 1sf8 h PHE 511 Ca 0.00 -0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.73 1sf8 h PHE 511 Cb 0.00 0.29 -0.10 0.00 2.79 0.00 0.00 35.95 38.93 1sf8 h PHE 511 CO 0.00 -0.53 0.64 0.82 -2.23 0.00 0.00 178.31 177.01 1sf8 h ILE 512 N -1.02 0.56 0.78 1.41 2.04 -1.97 -1.89 117.51 117.42 1sf8 h ILE 512 Ca -0.10 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1sf8 h ILE 512 Cb 0.75 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1sf8 h ILE 512 CO 0.16 0.09 -0.37 0.44 0.00 0.00 0.00 178.15 178.47 1sf8 h ASP 513 N 0.50 -0.88 0.06 1.72 3.32 -1.90 0.45 116.42 119.69 1sf8 h ASP 513 Ca 0.60 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.67 1sf8 h ASP 513 Cb 1.32 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.10 1sf8 h ASP 513 CO -0.35 -0.60 -0.02 0.08 -1.72 0.00 0.00 179.24 176.62 1sf8 h ARG 514 N -1.09 0.00 0.01 3.56 0.11 -1.21 0.66 114.38 116.41 1sf8 h ARG 514 Ca -0.11 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.72 1sf8 h ARG 514 Cb 0.81 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.90 1sf8 h ARG 514 CO 0.17 0.02 -1.02 0.28 0.10 0.00 0.00 179.97 179.52 1sf8 h VAL 515 N 0.00 1.32 -0.62 0.08 2.07 -1.10 -2.14 116.25 115.86 1sf8 h VAL 515 Ca -0.00 -2.33 -0.10 0.00 0.82 0.00 0.00 66.70 65.10 1sf8 h VAL 515 Cb 0.05 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1sf8 h VAL 515 CO 0.00 0.71 0.01 0.11 0.02 0.00 0.00 177.57 178.43 1sf8 h LYS 516 N 0.33 1.08 -0.80 1.57 1.57 0.11 -1.24 116.57 119.21 1sf8 h LYS 516 Ca -0.12 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1sf8 h LYS 516 Cb 1.67 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.84 1sf8 h LYS 516 CO 0.19 1.05 0.37 0.00 -0.57 0.00 0.00 179.45 180.49 1sf8 h ALA 517 N 1.01 1.03 0.13 3.86 0.00 -0.95 0.33 119.26 124.66 1sf8 h ALA 517 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sf8 h ALA 517 Cb 0.55 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sf8 h ALA 517 CO 0.03 0.60 -0.06 1.25 0.00 0.00 0.00 179.25 181.07 1sf8 h LEU 518 N 1.13 -0.15 0.02 0.00 5.85 -1.14 -3.32 115.31 117.70 1sf8 h LEU 518 Ca 0.27 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1sf8 h LEU 518 Cb 0.14 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1sf8 h LEU 518 CO -0.03 0.27 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.26 1sf8 h LEU 519 N -0.60 -0.03 0.00 2.25 3.38 -1.19 -3.49 115.31 115.64 1sf8 h LEU 519 Ca -0.02 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1sf8 h LEU 519 Cb 0.47 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1sf8 h LEU 519 CO 0.03 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.57 1sf8 n GLY 520 N 0.06 1.01 0.00 0.83 0.00 0.11 -3.12 105.19 104.10 1sf8 n GLY 520 Ca -0.08 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.27 1sf8 n GLY 520 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sf8 n GLU 521 N 12.49 0.18 0.26 1.61 -0.58 -1.26 -3.13 120.64 130.20 1sf8 n GLU 521 Ca 0.00 0.17 0.09 0.00 -0.42 0.00 0.00 57.16 57.00 1sf8 n GLU 521 Cb 0.00 -1.50 0.68 0.00 -0.57 0.00 0.00 31.44 30.05 1sf8 n GLU 521 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sf8 h ARG 522 N 0.00 0.00 -5.60 3.49 3.08 -1.94 -3.42 114.38 109.99 1sf8 h ARG 522 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 1sf8 h ARG 522 Cb 0.13 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.98 1sf8 h ARG 522 CO 0.00 0.07 -0.78 0.14 -1.07 0.00 0.00 179.97 178.33 1sf8 s VAL 523 N -4.74 1.39 0.18 2.04 -7.23 -1.18 -4.70 120.40 106.16 1sf8 s VAL 523 Ca -0.04 -1.58 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1sf8 s VAL 523 Cb 0.16 -1.43 -0.13 0.00 0.56 0.00 0.00 36.38 35.54 1sf8 s VAL 523 CO 0.64 -0.28 1.42 0.50 -0.31 0.00 0.00 175.10 177.07 1sf8 h LYS 524 N 3.84 0.23 -2.22 4.82 3.64 -1.33 -3.46 116.57 122.08 1sf8 h LYS 524 Ca -0.42 -0.22 0.14 0.00 -1.27 0.00 0.00 60.65 58.88 1sf8 h LYS 524 Cb 1.19 0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.94 1sf8 h LYS 524 CO 0.45 0.92 0.52 0.34 -2.27 0.00 0.00 179.45 179.42 1sf8 s ASP 525 N -6.93 -0.29 -0.07 4.20 2.15 -1.24 -5.03 116.67 109.45 1sf8 s ASP 525 Ca -0.03 -0.11 0.01 0.00 0.43 0.00 0.00 52.55 52.84 1sf8 s ASP 525 Cb 0.10 0.39 0.02 0.00 -0.30 0.00 0.00 42.92 43.13 1sf8 s ASP 525 CO 0.82 -0.66 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.40 1sf8 s VAL 526 N -3.10 0.85 0.01 1.11 1.01 -1.26 -0.43 120.40 118.60 1sf8 s VAL 526 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1sf8 s VAL 526 Cb -0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 1sf8 s VAL 526 CO -0.06 0.31 0.01 0.54 0.00 0.00 0.00 175.10 175.90 1sf8 n ARG 527 N 4.27 0.53 -4.28 2.72 1.74 -0.21 -4.98 116.66 116.45 1sf8 n ARG 527 Ca -0.20 -0.13 -0.18 0.00 -0.77 0.00 0.00 57.85 56.57 1sf8 n ARG 527 Cb 0.51 0.08 -0.11 0.00 -1.02 0.00 0.00 32.46 31.93 1sf8 n ARG 527 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sf8 s LEU 528 N 0.00 2.46 -0.17 0.55 1.43 -1.26 -2.01 118.68 119.68 1sf8 s LEU 528 Ca 0.01 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.11 1sf8 s LEU 528 Cb 0.00 -0.61 0.05 0.00 0.03 0.00 0.00 46.19 45.66 1sf8 s LEU 528 CO 0.01 -0.15 0.43 0.28 0.23 0.00 0.00 176.35 177.15 1sf8 s THR 529 N -2.43 -0.01 -2.05 5.49 -1.32 0.32 -4.80 115.64 110.83 1sf8 s THR 529 Ca 0.14 0.05 0.18 0.00 -1.21 0.00 0.00 61.69 60.86 1sf8 s THR 529 Cb -0.03 -0.62 0.50 0.00 -1.51 0.00 0.00 72.50 70.84 1sf8 s THR 529 CO 0.04 0.02 1.43 1.41 -2.21 0.00 0.00 174.62 175.32 1sf8 n HIS 530 N 3.71 0.73 -0.21 9.09 -0.00 -1.26 -4.08 115.22 123.20 1sf8 n HIS 530 Ca -0.19 -0.36 0.08 0.00 -0.00 0.00 0.00 57.72 57.24 1sf8 n HIS 530 Cb 0.56 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 30.84 1sf8 n HIS 530 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1sf8 n ARG 531 N 1.18 3.27 -3.65 -0.41 1.74 -1.26 -4.88 116.66 112.65 1sf8 n ARG 531 Ca 0.19 -2.33 -0.37 0.00 -0.77 0.00 0.00 57.85 54.57 1sf8 n ARG 531 Cb 0.49 -1.80 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 1sf8 n ARG 531 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sf8 s LEU 532 N -1.61 4.12 0.00 0.55 1.43 -1.26 -5.05 118.68 116.86 1sf8 s LEU 532 Ca 0.42 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1sf8 s LEU 532 Cb 0.27 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1sf8 s LEU 532 CO 0.20 0.06 0.00 0.35 0.23 0.00 0.00 176.35 177.19 1sf8 n THR 533 N 4.25 0.00 -0.88 5.49 -2.24 -1.26 -4.55 114.28 115.08 1sf8 n THR 533 Ca -0.15 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 1sf8 n THR 533 Cb 0.52 -0.63 0.16 0.00 -2.10 0.00 0.00 70.33 68.28 1sf8 n THR 533 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sf8 n ASP 534 N 0.00 2.81 -4.57 3.42 8.00 -1.26 -4.95 116.55 120.00 1sf8 n ASP 534 Ca 0.00 -2.89 -0.42 0.00 0.71 0.00 0.00 54.79 52.19 1sf8 n ASP 534 Cb 0.00 -0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.63 1sf8 n ASP 534 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sf8 s THR 535 N -2.55 4.90 0.39 -3.53 2.01 -1.26 -4.97 115.64 110.63 1sf8 s THR 535 Ca 0.31 0.53 0.10 0.00 0.31 0.00 0.00 61.69 62.94 1sf8 s THR 535 Cb 0.26 -4.07 0.17 0.00 0.01 0.00 0.00 72.50 68.86 1sf8 s THR 535 CO 0.05 -0.32 1.93 1.55 -0.69 0.00 0.00 174.62 177.14 1sf8 h PRO 536 N 8.49 0.25 -3.25 4.92 0.13 -1.92 -3.43 132.00 137.19 1sf8 h PRO 536 Ca -0.26 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 1sf8 h PRO 536 Cb 1.11 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.06 1sf8 h PRO 536 CO 0.83 0.36 -0.07 0.00 -0.23 0.00 0.00 178.00 178.90 1sf8 s ALA 537 N -4.79 -0.99 0.26 -0.56 0.00 -1.26 -0.32 121.76 114.10 1sf8 s ALA 537 Ca -0.06 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 1sf8 s ALA 537 Cb 0.16 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1sf8 s ALA 537 CO 0.73 -0.59 0.34 -1.50 0.00 0.00 0.00 175.76 174.74 1sf8 s ILE 538 N -3.36 0.00 0.03 0.00 2.07 0.00 -4.66 121.20 115.28 1sf8 s ILE 538 Ca 0.00 -1.71 -0.02 0.00 -1.41 0.00 0.00 60.65 57.51 1sf8 s ILE 538 Cb 0.01 -2.43 -0.02 0.00 0.13 0.00 0.00 42.46 40.15 1sf8 s ILE 538 CO -0.09 0.00 0.01 0.54 -1.91 0.00 0.00 174.94 173.50 1sf8 s VAL 539 N -3.81 0.14 0.23 4.00 0.11 -1.26 -1.86 120.40 117.95 1sf8 s VAL 539 Ca 0.32 -1.13 -0.21 0.00 -2.93 0.00 0.00 61.98 58.03 1sf8 s VAL 539 Cb 0.02 -0.69 0.07 0.00 -1.53 0.00 0.00 36.38 34.25 1sf8 s VAL 539 CO 0.14 -0.62 0.95 -0.94 -3.33 0.00 0.00 175.10 171.30 1sf8 s SER 540 N -1.92 -0.04 0.16 3.54 1.04 -1.05 -4.93 113.70 110.50 1sf8 s SER 540 Ca -0.08 -0.74 0.09 0.00 0.48 0.00 0.00 55.95 55.70 1sf8 s SER 540 Cb -0.04 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 1sf8 s SER 540 CO -0.04 -1.17 -0.19 0.42 0.98 0.00 0.00 173.24 173.25 1sf8 s THR 541 N -2.50 1.87 0.58 2.02 -4.23 -1.26 0.45 115.64 112.58 1sf8 s THR 541 Ca 0.18 -1.91 -0.13 0.00 -1.18 0.00 0.00 61.69 58.65 1sf8 s THR 541 Cb -0.03 -1.86 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 1sf8 s THR 541 CO 0.06 -0.28 1.01 -1.81 -0.54 0.00 0.00 174.62 173.06 1sf8 s ASP 542 N -2.63 6.35 0.17 3.99 1.01 -1.26 -4.93 116.67 119.37 1sf8 s ASP 542 Ca 0.16 1.45 -0.08 0.00 0.71 0.00 0.00 52.55 54.79 1sf8 s ASP 542 Cb -0.06 -2.48 0.23 0.00 1.01 0.00 0.00 42.92 41.62 1sf8 s ASP 542 CO 0.07 -0.78 1.02 0.00 0.21 0.00 0.00 175.17 175.69 1sf8 n ALA 543 N -2.38 0.04 -1.24 5.23 0.00 -1.26 -0.02 120.51 120.89 1sf8 n ALA 543 Ca 0.06 0.69 -0.07 0.00 0.00 0.00 0.00 53.44 54.12 1sf8 n ALA 543 Cb 0.54 -0.37 0.23 0.00 0.00 0.00 0.00 19.45 19.85 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 -5.02 3.53 0.00 0.00 10.43 -1.26 -5.07 116.55 119.15 1sf8 n ASP 544 Ca 0.09 -3.49 0.00 0.00 2.57 0.00 0.00 54.79 53.96 1sf8 n ASP 544 Cb 0.30 -0.69 0.00 0.00 1.84 0.00 0.00 41.12 42.57 1sf8 n ASP 544 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1sf8 n GLU 545 N -0.81 0.00 -3.65 -1.24 -0.58 0.98 -5.25 120.64 110.08 1sf8 n GLU 545 Ca 0.39 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 57.03 1sf8 n GLU 545 Cb 1.23 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 32.07 1sf8 n GLU 545 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1sf8 s SER 547 N -0.44 -0.31 0.19 1.62 1.04 -1.26 -4.76 113.70 109.78 1sf8 s SER 547 Ca 0.00 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 55.97 1sf8 s SER 547 Cb 0.00 0.55 0.14 0.00 0.10 0.00 0.00 66.02 66.81 1sf8 s SER 547 CO 0.00 -0.98 1.85 0.74 0.98 0.00 0.00 173.24 175.83 1sf8 h THR 548 N 2.21 1.12 0.00 2.02 2.02 -2.00 0.44 112.91 118.73 1sf8 h THR 548 Ca -0.31 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1sf8 h THR 548 Cb 1.27 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1sf8 h THR 548 CO 0.40 0.15 0.00 1.67 0.37 0.00 0.00 175.52 178.11 1sf8 n GLN 549 N -4.67 0.29 0.00 6.66 7.27 -1.26 -0.88 117.38 124.78 1sf8 n GLN 549 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 1sf8 n GLN 549 Cb 0.05 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.39 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 0.76 0.00 -0.27 1.69 0.00 0.14 -1.85 120.51 120.98 1sf8 n ALA 551 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1sf8 n ALA 551 Cb 0.13 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.73 1sf8 n ALA 551 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sf8 h LYS 552 N 0.00 1.11 0.39 0.00 3.64 -1.26 -0.62 116.57 119.83 1sf8 h LYS 552 Ca 0.00 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1sf8 h LYS 552 Cb 0.00 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1sf8 h LYS 552 CO 0.00 0.81 -0.19 1.25 -2.27 0.00 0.00 179.45 179.05 1sf8 h LEU 553 N 1.12 -0.44 -1.82 5.20 6.46 -1.62 -2.64 115.31 121.55 1sf8 h LEU 553 Ca 0.28 0.02 0.27 0.00 -0.12 0.00 0.00 57.88 58.33 1sf8 h LEU 553 Cb 0.02 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1sf8 h LEU 553 CO -0.05 -0.18 0.81 -0.26 -0.62 0.00 0.00 178.44 178.15 1sf8 h PHE 554 N -0.81 0.00 0.00 1.25 0.05 -1.82 0.74 116.94 116.35 1sf8 h PHE 554 Ca -0.05 0.00 -0.18 0.00 3.82 0.00 0.00 57.97 61.56 1sf8 h PHE 554 Cb 0.40 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.33 1sf8 h PHE 554 CO 0.04 0.00 -0.84 0.00 -0.18 0.00 0.00 178.31 177.34 1sf8 h ALA 555 N 1.26 0.55 0.00 2.45 0.00 -1.03 -3.04 119.26 119.46 1sf8 h ALA 555 Ca 0.45 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1sf8 h ALA 555 Cb 2.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1sf8 h ALA 555 CO -0.00 1.04 0.00 0.00 0.00 0.00 0.00 179.25 180.29 1sf8 n ALA 556 N -2.35 1.76 0.01 0.00 0.00 0.26 -2.20 120.51 117.99 1sf8 n ALA 556 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1sf8 n ALA 556 Cb 0.83 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 1sf8 n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sf8 n ALA 557 N -1.47 1.89 0.00 0.00 0.00 -1.15 -5.05 120.51 114.73 1sf8 n ALA 557 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1sf8 n ALA 557 Cb 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.45 0.48 3.75 0.00 0.00 -0.94 -5.12 105.19 104.80 1sf8 n GLY 558 Ca -0.13 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1sf8 n GLY 558 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sf8 s GLN 559 N 0.00 3.20 -0.32 1.61 0.00 -1.26 -4.84 119.66 118.05 1sf8 s GLN 559 Ca 0.00 2.30 -0.10 0.00 -0.00 0.00 0.00 55.36 57.56 1sf8 s GLN 559 Cb 0.00 -2.32 -0.01 0.00 0.00 0.00 0.00 33.01 30.68 1sf8 s GLN 559 CO 0.00 -1.16 0.17 0.15 0.00 0.00 0.00 175.29 174.45 1sf8 s LYS 560 N -2.84 3.33 0.93 9.60 3.01 -1.26 -4.00 119.74 128.52 1sf8 s LYS 560 Ca 0.70 -0.73 -0.11 0.00 -1.01 0.00 0.00 55.97 54.83 1sf8 s LYS 560 Cb -0.42 -3.61 0.14 0.00 -1.01 0.00 0.00 37.83 32.93 1sf8 s LYS 560 CO 0.50 -0.43 1.03 1.33 0.51 0.00 0.00 175.35 178.29 1sf8 n VAL 561 N 5.00 0.00 -1.56 3.17 0.24 -1.26 -4.89 118.33 119.04 1sf8 n VAL 561 Ca -0.14 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.34 61.69 1sf8 n VAL 561 Cb 0.49 -0.94 -0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1sf8 n VAL 561 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1sf8 n PRO 562 N -3.89 1.11 -1.55 7.34 -0.02 -1.26 -4.73 135.00 132.00 1sf8 n PRO 562 Ca 0.11 0.40 -0.54 0.00 -2.02 0.00 0.00 63.50 61.44 1sf8 n PRO 562 Cb 0.52 -1.78 -0.07 0.00 -0.02 0.00 0.00 33.50 32.15 1sf8 n PRO 562 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1sf8 n GLU 563 N 0.55 1.08 -1.64 -0.52 2.13 -1.26 -4.80 120.64 116.19 1sf8 n GLU 563 Ca 0.10 0.35 -0.51 0.00 0.66 0.00 0.00 57.16 57.77 1sf8 n GLU 563 Cb 0.35 -2.24 -0.06 0.00 0.27 0.00 0.00 31.44 29.77 1sf8 n GLU 563 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1sf8 n VAL 564 N 5.95 0.09 -3.15 6.31 0.31 -1.26 -4.91 118.33 121.67 1sf8 n VAL 564 Ca 0.35 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 64.24 1sf8 n VAL 564 Cb 0.17 -1.16 -0.07 0.00 -0.91 0.00 0.00 33.84 31.86 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 1.33 3.40 0.49 5.55 -0.14 -1.26 -5.03 119.74 124.08 1sf8 s LYS 565 Ca 0.85 -0.28 -0.03 0.00 -1.36 0.00 0.00 55.97 55.15 1sf8 s LYS 565 Cb -0.87 -3.90 -0.02 0.00 -1.68 0.00 0.00 37.83 31.36 1sf8 s LYS 565 CO 0.47 -0.88 0.76 0.71 -0.76 0.00 0.00 175.35 175.66 1sf8 s TYR 566 N 2.67 3.40 -0.29 3.18 1.51 -1.26 -4.63 117.35 121.93 1sf8 s TYR 566 Ca 0.21 0.58 -0.09 0.00 -1.01 0.00 0.00 57.07 56.76 1sf8 s TYR 566 Cb -0.15 -2.37 -0.02 0.00 -0.11 0.00 0.00 41.96 39.31 1sf8 s TYR 566 CO 0.17 -0.40 0.14 0.42 -1.11 0.00 0.00 175.55 174.77 1sf8 s ILE 567 N -2.72 4.67 -0.48 2.71 1.01 0.17 -1.02 121.20 125.54 1sf8 s ILE 567 Ca 0.48 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.63 1sf8 s ILE 567 Cb -0.10 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 39.10 1sf8 s ILE 567 CO 0.42 0.17 0.96 0.12 0.00 0.00 0.00 174.94 176.61 1sf8 s PHE 568 N 1.64 2.87 -0.18 3.97 5.36 0.43 -2.53 117.98 129.55 1sf8 s PHE 568 Ca 0.06 0.34 -0.04 0.00 -0.96 0.00 0.00 56.93 56.32 1sf8 s PHE 568 Cb -0.16 -4.06 -0.03 0.00 -0.34 0.00 0.00 43.02 38.44 1sf8 s PHE 568 CO 0.06 -1.18 -0.02 -1.21 -1.46 0.00 0.00 175.22 171.42 1sf8 s GLU 569 N 3.91 3.65 0.19 10.12 2.02 -0.78 -1.04 118.70 136.77 1sf8 s GLU 569 Ca 0.37 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 54.92 1sf8 s GLU 569 Cb -0.10 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 1sf8 s GLU 569 CO 0.26 0.13 0.00 -0.51 0.02 0.00 0.00 175.26 175.15 1sf8 s LEU 570 N 0.69 3.30 -0.46 1.80 1.43 -0.85 -0.82 118.68 123.77 1sf8 s LEU 570 Ca -0.01 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 1sf8 s LEU 570 Cb -0.14 -1.93 0.08 0.00 0.03 0.00 0.00 46.19 44.22 1sf8 s LEU 570 CO 0.02 0.07 0.37 0.21 0.23 0.00 0.00 176.35 177.26 1sf8 s ASN 571 N -3.06 6.04 0.53 2.29 3.84 0.56 -0.52 114.94 124.62 1sf8 s ASN 571 Ca 0.28 -1.39 0.22 0.00 0.21 0.00 0.00 52.86 52.17 1sf8 s ASN 571 Cb -0.09 -2.14 1.35 0.00 -0.55 0.00 0.00 41.25 39.82 1sf8 s ASN 571 CO 0.19 -0.64 2.06 -0.65 -2.79 0.00 0.00 177.10 175.27 1sf8 h PRO 572 N 8.69 0.00 -0.27 0.43 0.11 -1.88 -1.99 132.00 137.08 1sf8 h PRO 572 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1sf8 h PRO 572 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1sf8 h PRO 572 CO 0.86 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.40 1sf8 n ASP 573 N -4.43 1.84 -4.75 -2.05 8.00 -1.26 -4.58 116.55 109.32 1sf8 n ASP 573 Ca 0.04 -1.86 -0.38 0.00 0.71 0.00 0.00 54.79 53.30 1sf8 n ASP 573 Cb 0.39 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 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 -1.64 3.61 0.21 1.24 2.46 -0.75 -4.98 115.29 115.44 1sf8 s HIS 574 Ca 0.28 1.05 -0.12 0.00 0.47 0.00 0.00 55.06 56.74 1sf8 s HIS 574 Cb 0.15 -2.56 0.28 0.00 -0.13 0.00 0.00 32.58 30.31 1sf8 s HIS 574 CO 0.21 0.29 1.64 0.28 -2.47 0.00 0.00 174.74 174.69 1sf8 h VAL 575 N 4.39 0.42 -0.82 0.89 2.07 -1.89 -1.01 116.25 120.29 1sf8 h VAL 575 Ca -0.44 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1sf8 h VAL 575 Cb 1.19 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1sf8 h VAL 575 CO 0.72 0.01 0.39 -0.07 0.02 0.00 0.00 177.57 178.64 1sf8 h LEU 576 N 0.05 1.08 -0.81 2.57 3.38 -1.94 0.34 115.31 119.99 1sf8 h LEU 576 Ca 0.32 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1sf8 h LEU 576 Cb 0.51 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1sf8 h LEU 576 CO -0.60 0.91 -0.12 0.58 0.09 0.00 0.00 178.44 179.31 1sf8 h VAL 577 N 1.17 1.26 0.01 1.22 2.07 -1.49 -1.08 116.25 119.40 1sf8 h VAL 577 Ca 0.28 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1sf8 h VAL 577 Cb 0.12 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1sf8 h VAL 577 CO -0.04 0.40 -0.00 0.11 0.02 0.00 0.00 177.57 178.06 1sf8 h LYS 578 N 0.70 -0.01 -1.05 1.57 1.57 -0.87 -1.90 116.57 116.58 1sf8 h LYS 578 Ca 0.12 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.19 1sf8 h LYS 578 Cb 0.59 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.84 1sf8 h LYS 578 CO 0.04 0.48 0.72 -0.09 -0.57 0.00 0.00 179.45 180.03 1sf8 h ARG 579 N -0.51 0.19 0.04 3.15 2.43 -0.10 0.52 114.38 120.09 1sf8 h ARG 579 Ca -0.00 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 1sf8 h ARG 579 Cb 0.50 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1sf8 h ARG 579 CO 0.00 0.12 -1.01 0.00 -1.51 0.00 0.00 179.97 177.57 1sf8 h ALA 580 N 1.54 0.31 -0.02 2.80 0.00 -0.95 -3.33 119.26 119.61 1sf8 h ALA 580 Ca 0.54 -0.76 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1sf8 h ALA 580 Cb 1.77 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.55 1sf8 h ALA 580 CO -0.14 0.87 -0.37 0.00 0.00 0.00 0.00 179.25 179.61 1sf8 h ALA 581 N 0.73 0.07 0.00 0.00 0.00 0.65 -3.29 119.26 117.41 1sf8 h ALA 581 Ca -0.09 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1sf8 h ALA 581 Cb 1.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1sf8 h ALA 581 CO 0.17 0.18 -0.02 -0.25 0.00 0.00 0.00 179.25 179.33 1sf8 n ASP 582 N -4.41 4.17 -4.10 0.00 8.00 0.99 -4.77 116.55 116.43 1sf8 n ASP 582 Ca -0.10 -2.12 -0.32 0.00 0.71 0.00 0.00 54.79 52.96 1sf8 n ASP 582 Cb 0.55 -0.91 -0.16 0.00 -0.02 0.00 0.00 41.12 40.58 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 0.55 1.95 -1.27 -3.53 2.01 -1.24 -4.97 115.64 109.13 1sf8 s THR 583 Ca 0.06 -0.88 0.28 0.00 0.31 0.00 0.00 61.69 61.46 1sf8 s THR 583 Cb 0.03 -1.77 0.30 0.00 0.01 0.00 0.00 72.50 71.07 1sf8 s THR 583 CO 0.00 0.52 1.82 -0.62 -0.69 0.00 0.00 174.62 175.65 1sf8 n GLU 584 N 4.59 0.29 -3.16 4.92 1.02 -1.26 -4.70 120.64 122.34 1sf8 n GLU 584 Ca -0.20 -0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.43 1sf8 n GLU 584 Cb 0.50 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 1sf8 n GLU 584 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sf8 s ASP 585 N -2.77 6.31 0.52 1.62 2.15 -1.26 -4.93 116.67 118.32 1sf8 s ASP 585 Ca 0.20 -0.32 0.17 0.00 0.43 0.00 0.00 52.55 53.04 1sf8 s ASP 585 Cb 0.19 -2.30 1.29 0.00 -0.30 0.00 0.00 42.92 41.80 1sf8 s ASP 585 CO 0.54 -0.70 2.13 -0.33 -0.17 0.00 0.00 175.17 176.64 1sf8 h GLU 586 N 8.77 0.00 0.27 4.34 4.39 -1.99 -1.38 114.58 128.98 1sf8 h GLU 586 Ca -0.26 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1sf8 h GLU 586 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1sf8 h GLU 586 CO 0.86 0.00 -0.13 0.00 -1.16 0.00 0.00 179.01 178.58 1sf8 h ALA 587 N 1.97 -0.36 0.31 3.43 0.00 -1.98 -2.38 119.26 120.25 1sf8 h ALA 587 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1sf8 h ALA 587 Cb 0.12 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1sf8 h ALA 587 CO -0.00 -0.51 -0.41 -0.22 0.00 0.00 0.00 179.25 178.11 1sf8 h LYS 588 N -0.74 -0.74 -0.96 0.00 1.63 -1.92 -1.39 116.57 112.46 1sf8 h LYS 588 Ca -0.04 0.05 0.31 0.00 -0.85 0.00 0.00 60.65 60.13 1sf8 h LYS 588 Cb 0.49 0.17 -0.16 0.00 -0.60 0.00 0.00 32.23 32.13 1sf8 h LYS 588 CO 0.06 -0.49 0.36 0.35 -3.45 0.00 0.00 179.45 176.27 1sf8 h PHE 589 N -0.77 0.54 0.11 1.91 3.57 -1.32 0.12 116.94 121.10 1sf8 h PHE 589 Ca -0.02 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1sf8 h PHE 589 Cb 0.72 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1sf8 h PHE 589 CO -0.27 -0.31 -0.05 1.03 -2.23 0.00 0.00 178.31 176.47 1sf8 h SER 590 N 0.15 -0.13 -0.42 0.41 0.87 -0.72 -2.12 113.55 111.59 1sf8 h SER 590 Ca 0.68 -0.11 0.08 0.00 -1.23 0.00 0.00 61.79 61.21 1sf8 h SER 590 Cb 1.57 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 63.49 1sf8 h SER 590 CO -0.72 0.03 0.00 -0.33 -0.53 0.00 0.00 176.83 175.28 1sf8 h GLU 591 N -0.28 0.11 0.45 2.24 5.08 -0.14 -0.51 114.58 121.52 1sf8 h GLU 591 Ca -0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1sf8 h GLU 591 Cb 0.23 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1sf8 h GLU 591 CO 0.03 0.07 -0.27 -1.49 -1.00 0.00 0.00 179.01 176.34 1sf8 h TRP 592 N 0.11 -0.71 -0.67 4.33 4.06 -1.28 0.20 115.95 121.99 1sf8 h TRP 592 Ca 0.21 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.26 1sf8 h TRP 592 Cb 0.30 0.25 -0.08 0.00 -1.00 0.00 0.00 29.16 28.63 1sf8 h TRP 592 CO -0.28 -0.42 0.26 0.28 -3.56 0.00 0.00 178.44 174.73 1sf8 h VAL 593 N -0.68 0.74 -0.73 1.49 2.07 -1.07 0.07 116.25 118.13 1sf8 h VAL 593 Ca -0.05 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1sf8 h VAL 593 Cb 0.56 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1sf8 h VAL 593 CO 0.05 0.08 0.30 -0.33 0.02 0.00 0.00 177.57 177.69 1sf8 h GLU 594 N 0.44 1.09 0.04 1.57 4.39 -0.76 -0.01 114.58 121.34 1sf8 h GLU 594 Ca 0.35 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1sf8 h GLU 594 Cb 0.46 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1sf8 h GLU 594 CO -0.34 0.89 -0.05 1.25 -1.16 0.00 0.00 179.01 179.60 1sf8 h LEU 595 N 1.05 -0.13 -0.84 1.33 5.85 0.80 -2.16 115.31 121.20 1sf8 h LEU 595 Ca 0.24 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1sf8 h LEU 595 Cb 0.20 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1sf8 h LEU 595 CO -0.02 -0.08 0.12 -0.07 -0.34 0.00 0.00 178.44 178.05 1sf8 h LEU 596 N -0.11 0.93 -0.07 2.25 3.38 -0.79 0.66 115.31 121.56 1sf8 h LEU 596 Ca 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1sf8 h LEU 596 Cb 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1sf8 h LEU 596 CO -0.02 0.92 0.03 0.25 0.09 0.00 0.00 178.44 179.71 1sf8 h LEU 597 N 0.93 0.10 -0.74 1.67 5.85 -0.90 -1.10 115.31 121.12 1sf8 h LEU 597 Ca 0.19 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1sf8 h LEU 597 Cb 0.38 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1sf8 h LEU 597 CO 0.01 0.23 0.21 0.44 -0.34 0.00 0.00 178.44 178.99 1sf8 h ASP 598 N -0.04 1.10 -0.89 1.25 5.19 -1.25 -0.25 116.42 121.51 1sf8 h ASP 598 Ca 0.02 -0.22 0.10 0.00 -0.62 0.00 0.00 57.03 56.31 1sf8 h ASP 598 Cb 0.16 -0.29 -0.08 0.00 0.18 0.00 0.00 39.33 39.31 1sf8 h ASP 598 CO -0.00 1.03 0.54 -0.61 -3.12 0.00 0.00 179.24 177.07 1sf8 h GLN 599 N 1.11 0.87 -0.21 3.56 4.15 -0.68 0.34 115.11 124.25 1sf8 h GLN 599 Ca 0.24 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.48 1sf8 h GLN 599 Cb 0.33 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1sf8 h GLN 599 CO -0.00 0.57 -0.36 0.00 -1.93 0.00 0.00 178.83 177.11 1sf8 h ALA 600 N 1.48 0.33 -0.71 3.38 0.00 -0.36 -2.72 119.26 120.66 1sf8 h ALA 600 Ca 0.43 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1sf8 h ALA 600 Cb 0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1sf8 h ALA 600 CO -0.24 0.40 0.21 -0.07 0.00 0.00 0.00 179.25 179.55 1sf8 h LEU 601 N 0.31 1.04 -0.92 0.00 3.38 -0.31 -0.94 115.31 117.87 1sf8 h LEU 601 Ca 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1sf8 h LEU 601 Cb 0.95 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1sf8 h LEU 601 CO 0.08 0.98 0.52 0.25 0.09 0.00 0.00 178.44 180.36 1sf8 h LEU 602 N 1.05 1.14 -0.22 1.67 5.85 -0.35 0.43 115.31 124.88 1sf8 h LEU 602 Ca 0.23 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1sf8 h LEU 602 Cb 0.32 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1sf8 h LEU 602 CO -0.01 0.90 -0.07 0.00 -0.34 0.00 0.00 178.44 178.93 1sf8 h ALA 603 N 1.28 0.31 0.29 1.25 0.00 -1.14 0.14 119.26 121.39 1sf8 h ALA 603 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1sf8 h ALA 603 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sf8 h ALA 603 CO -0.05 0.11 -0.14 1.49 0.00 0.00 0.00 179.25 180.66 1sf8 h GLU 604 N 0.16 -0.37 0.00 0.00 4.57 -0.83 -3.37 114.58 114.75 1sf8 h GLU 604 Ca 0.05 0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 58.03 1sf8 h GLU 604 Cb 0.54 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 1sf8 h GLU 604 CO 0.03 -0.03 -1.26 0.00 -1.18 0.00 0.00 179.01 176.56 1sf8 h ARG 605 N -0.90 0.00 0.00 1.92 3.08 -0.28 -3.48 114.38 114.72 1sf8 h ARG 605 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1sf8 h ARG 605 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1sf8 h ARG 605 CO 0.06 0.71 0.00 0.41 -1.07 0.00 0.00 179.97 180.09 1sf8 n GLY 606 N 1.42 0.81 3.63 0.04 0.00 0.49 -4.99 105.19 106.59 1sf8 n GLY 606 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1sf8 n GLY 606 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sf8 s THR 607 N -3.09 0.00 -0.04 2.61 -4.23 -1.26 -5.01 115.64 104.62 1sf8 s THR 607 Ca 0.00 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1sf8 s THR 607 Cb 0.00 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.53 1sf8 s THR 607 CO 0.00 0.00 0.10 -0.76 -0.54 0.00 0.00 174.62 173.42 1sf8 s LEU 608 N -3.05 1.61 0.16 4.79 1.43 -1.26 -4.27 118.68 118.09 1sf8 s LEU 608 Ca 0.21 0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.34 1sf8 s LEU 608 Cb -0.02 0.36 0.09 0.00 0.03 0.00 0.00 46.19 46.66 1sf8 s LEU 608 CO 0.11 -0.05 1.70 -0.33 0.23 0.00 0.00 176.35 178.01 1sf8 h GLU 609 N 5.92 0.10 -2.24 1.70 5.08 -2.02 -3.30 114.58 119.83 1sf8 h GLU 609 Ca -0.25 -0.01 -0.59 0.00 -1.00 0.00 0.00 59.36 57.51 1sf8 h GLU 609 Cb 1.20 -0.02 -0.41 0.00 0.50 0.00 0.00 28.75 30.02 1sf8 h GLU 609 CO 0.44 0.06 -0.76 -3.47 -1.00 0.00 0.00 179.01 174.28 1sf8 n ASP 610 N -5.19 2.38 -0.27 1.42 2.03 -1.26 -4.97 116.55 110.70 1sf8 n ASP 610 Ca 0.02 -3.14 0.08 0.00 0.52 0.00 0.00 54.79 52.27 1sf8 n ASP 610 Cb 0.19 -0.66 0.22 0.00 -0.72 0.00 0.00 41.12 40.15 1sf8 n ASP 610 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1sf8 h PRO 611 N 4.33 0.23 0.00 -0.67 0.11 -1.99 -1.38 132.00 132.63 1sf8 h PRO 611 Ca 0.16 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1sf8 h PRO 611 Cb 0.75 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1sf8 h PRO 611 CO 0.69 0.15 -0.02 -0.91 -0.21 0.00 0.00 178.00 177.70 1sf8 h ASN 612 N 0.24 0.00 -0.12 -2.05 2.35 -1.94 -0.68 115.58 113.39 1sf8 h ASN 612 Ca 0.47 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.18 1sf8 h ASN 612 Cb 0.86 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 1sf8 h ASN 612 CO -0.58 0.02 -0.08 0.25 -1.65 0.00 0.00 177.43 175.40 1sf8 h LEU 613 N 0.00 0.28 -0.47 1.61 5.85 -1.68 -1.40 115.31 119.49 1sf8 h LEU 613 Ca -0.00 -0.44 0.06 0.00 0.84 0.00 0.00 57.88 58.34 1sf8 h LEU 613 Cb 0.04 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1sf8 h LEU 613 CO 0.00 0.65 0.17 0.15 -0.34 0.00 0.00 178.44 179.08 1sf8 h PHE 614 N -0.10 0.30 -0.80 1.25 3.57 -1.36 0.26 116.94 120.06 1sf8 h PHE 614 Ca 0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1sf8 h PHE 614 Cb 0.56 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1sf8 h PHE 614 CO 0.07 0.11 0.50 0.82 -2.23 0.00 0.00 178.31 177.58 1sf8 h ILE 615 N 0.35 1.22 -0.19 1.41 2.04 -0.99 -2.26 117.51 119.10 1sf8 h ILE 615 Ca 0.22 -0.46 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 1sf8 h ILE 615 Cb 0.22 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1sf8 h ILE 615 CO -0.22 0.23 -0.44 0.03 0.00 0.00 0.00 178.15 177.74 1sf8 h ARG 616 N 1.10 0.46 -0.63 2.37 3.08 -0.82 -0.83 114.38 119.11 1sf8 h ARG 616 Ca 0.29 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1sf8 h ARG 616 Cb -0.06 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1sf8 h ARG 616 CO -0.06 0.81 0.00 -2.13 -1.07 0.00 0.00 179.97 177.53 1sf8 n ARG 617 N -4.00 0.37 0.00 0.04 0.63 0.04 -1.97 116.66 111.77 1sf8 n ARG 617 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1sf8 n ARG 617 Cb 0.53 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 32.23 1sf8 n ARG 617 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1sf8 n ASN 619 N 0.42 0.00 0.39 6.15 3.02 -0.32 -1.48 115.26 123.45 1sf8 n ASN 619 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 1sf8 n ASN 619 Cb 0.11 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 1sf8 n ASN 619 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1sf8 h GLN 620 N 0.00 -1.09 -0.09 3.52 5.75 -1.66 -2.30 115.11 119.24 1sf8 h GLN 620 Ca 0.00 0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1sf8 h GLN 620 Cb 0.00 0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 1sf8 h GLN 620 CO 0.00 -0.73 0.10 -0.07 -2.65 0.00 0.00 178.83 175.48 1sf8 h LEU 621 N -1.13 0.00 -0.81 -2.39 3.38 -1.54 0.13 115.31 112.95 1sf8 h LEU 621 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1sf8 h LEU 621 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1sf8 h LEU 621 CO 0.07 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.53 1sf8 h LEU 622 N 0.00 0.00 0.00 1.67 3.38 -1.69 -3.30 115.31 115.37 1sf8 h LEU 622 Ca 0.04 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.66 1sf8 h LEU 622 Cb 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1sf8 h LEU 622 CO -0.00 0.00 -2.33 0.52 0.09 0.00 0.00 178.44 176.72 1sf8 n VAL 623 N -2.84 1.34 1.27 1.22 0.31 0.34 -5.09 118.33 114.88 1sf8 n VAL 623 Ca 0.02 -0.69 0.13 0.00 -0.01 0.00 0.00 64.34 63.80 1sf8 n VAL 623 Cb 0.36 -0.86 0.33 0.00 -0.91 0.00 0.00 33.84 32.75 1sf8 n VAL 623 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97