#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsu h GLU 513 N 0.00 0.01 -1.09 1.43 4.22 -2.05 -0.99 114.58 116.12 1wsu h GLU 513 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1wsu h GLU 513 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wsu h GLU 513 CO 0.00 0.11 0.00 0.25 -2.18 0.00 0.00 179.01 177.19 1wsu n THR 514 N -5.04 0.58 0.00 0.32 -2.24 -1.26 -2.31 114.28 104.33 1wsu n THR 514 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1wsu n THR 514 Cb 0.08 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1wsu n THR 514 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1wsu n GLN 515 N 0.46 0.00 0.23 -0.78 -0.06 -0.74 -4.74 117.38 111.75 1wsu n GLN 515 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.12 1wsu n GLN 515 Cb 0.35 -0.32 0.39 0.00 -4.06 0.00 0.00 30.24 26.59 1wsu n GLN 515 CO 0.00 0.00 0.00 1.57 -0.20 0.00 0.00 177.06 178.43 1wsu h LYS 516 N 0.00 0.00 0.00 3.69 2.10 -1.12 -2.67 116.57 118.57 1wsu h LYS 516 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1wsu h LYS 516 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1wsu h LYS 516 CO 0.00 0.11 0.00 1.17 -2.00 0.00 0.00 179.45 178.73 1wsu n LYS 517 N -3.18 0.26 0.05 0.07 4.81 -0.98 -2.62 118.16 116.57 1wsu n LYS 517 Ca 0.02 0.03 0.09 0.00 -0.87 0.00 0.00 58.31 57.58 1wsu n LYS 517 Cb 0.46 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.93 1wsu n LYS 517 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1wsu n LEU 518 N -1.36 0.52 -0.01 3.14 7.94 -1.01 -3.05 117.00 123.18 1wsu n LEU 518 Ca 0.11 0.20 -0.17 0.00 -1.11 0.00 0.00 56.01 55.05 1wsu n LEU 518 Cb 0.25 -0.01 -0.12 0.00 0.53 0.00 0.00 43.42 44.08 1wsu n LEU 518 CO 0.23 -0.06 0.29 -0.07 -1.11 0.00 0.00 177.39 176.66 1wsu h LEU 519 N 0.00 0.31 -0.95 -1.96 3.38 -1.56 -2.34 115.31 112.19 1wsu h LEU 519 Ca -0.04 -0.84 -0.04 0.00 0.09 0.00 0.00 57.88 57.05 1wsu h LEU 519 Cb 1.10 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1wsu h LEU 519 CO 0.01 1.12 -0.21 0.50 0.09 0.00 0.00 178.44 179.95 1wsu h LYS 520 N -0.46 0.00 -0.23 1.13 1.63 -1.72 -1.87 116.57 115.04 1wsu h LYS 520 Ca -0.06 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 1wsu h LYS 520 Cb 1.21 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1wsu h LYS 520 CO 0.08 0.21 0.03 0.22 -3.45 0.00 0.00 179.45 176.54 1wsu h ASP 521 N 0.00 0.38 -0.01 4.20 1.82 -1.53 -2.05 116.42 119.24 1wsu h ASP 521 Ca -0.00 -0.28 -0.18 0.00 -0.39 0.00 0.00 57.03 56.19 1wsu h ASP 521 Cb 0.80 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.71 1wsu h ASP 521 CO 0.03 0.56 -0.60 -0.07 -1.61 0.00 0.00 179.24 177.55 1wsu h LEU 522 N 0.19 0.69 0.07 2.28 3.38 -1.23 -2.69 115.31 118.01 1wsu h LEU 522 Ca 0.07 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1wsu h LEU 522 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wsu h LEU 522 CO 0.01 1.13 -0.10 -0.08 0.09 0.00 0.00 178.44 179.49 1wsu h GLU 523 N 0.46 -0.20 0.00 1.13 4.81 -1.25 -1.61 114.58 117.92 1wsu h GLU 523 Ca -0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1wsu h GLU 523 Cb 1.17 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1wsu h GLU 523 CO 0.12 -0.13 -0.17 -0.44 -0.73 0.00 0.00 179.01 177.66 1wsu h ASP 524 N -0.20 0.00 -0.37 1.04 3.32 -1.41 0.10 116.42 118.90 1wsu h ASP 524 Ca 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1wsu h ASP 524 Cb 0.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1wsu h ASP 524 CO -0.05 0.17 0.14 0.50 -1.72 0.00 0.00 179.24 178.28 1wsu h LYS 525 N 0.00 0.55 0.00 3.56 1.63 -0.97 0.56 116.57 121.90 1wsu h LYS 525 Ca -0.00 -0.10 -0.08 0.00 -0.85 0.00 0.00 60.65 59.62 1wsu h LYS 525 Cb 0.31 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1wsu h LYS 525 CO 0.02 0.54 -0.36 1.88 -3.45 0.00 0.00 179.45 178.08 1wsu h TYR 526 N 0.45 0.00 -0.11 1.91 -1.99 -0.82 -2.65 116.97 113.75 1wsu h TYR 526 Ca 0.12 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 1wsu h TYR 526 Cb 0.19 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.92 1wsu h TYR 526 CO -0.00 0.36 -0.00 -0.09 -0.00 0.00 0.00 178.16 178.43 1wsu h ARG 527 N 0.00 0.20 0.00 4.88 9.65 -0.13 -2.81 114.38 126.17 1wsu h ARG 527 Ca -0.00 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.70 1wsu h ARG 527 Cb 1.04 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.58 1wsu h ARG 527 CO 0.05 0.45 -0.55 0.28 2.80 0.00 0.00 179.97 183.00 1wsu h VAL 528 N -0.07 1.16 0.00 0.20 2.07 -0.92 -3.15 116.25 115.54 1wsu h VAL 528 Ca 0.03 -2.06 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 1wsu h VAL 528 Cb 0.36 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1wsu h VAL 528 CO 0.01 0.54 -0.18 0.28 0.02 0.00 0.00 177.57 178.24 1wsu h SER 529 N 0.00 0.00 0.00 0.57 0.02 -1.42 -3.47 113.55 109.25 1wsu h SER 529 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1wsu h SER 529 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1wsu h SER 529 CO 0.07 0.18 0.00 0.54 -1.14 0.00 0.00 176.83 176.48 1wsu n ARG 530 N -3.31 0.00 0.00 3.45 5.12 -1.07 -1.30 116.66 119.55 1wsu n ARG 530 Ca 0.00 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.06 1wsu n ARG 530 Cb 0.42 0.00 0.47 0.00 -1.16 0.00 0.00 32.46 32.19 1wsu n ARG 530 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 1wsu n TRP 531 N 0.00 0.00 -2.64 -1.55 8.01 -1.26 -3.94 117.44 116.06 1wsu n TRP 531 Ca 0.00 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.90 1wsu n TRP 531 Cb 0.00 -0.14 -0.01 0.00 -2.01 0.00 0.00 31.31 29.15 1wsu n TRP 531 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1wsu n GLN 532 N -0.74 3.44 -1.72 -0.99 6.02 -0.42 -4.87 117.38 118.10 1wsu n GLN 532 Ca 0.13 -4.60 -0.41 0.00 -0.01 0.00 0.00 57.00 52.11 1wsu n GLN 532 Cb 0.32 -2.26 0.01 0.00 1.02 0.00 0.00 30.24 29.33 1wsu n GLN 532 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1wsu n PRO 533 N -0.36 2.16 -2.24 -1.09 -0.04 -1.25 -4.85 135.00 127.33 1wsu n PRO 533 Ca 0.37 0.76 -0.39 0.00 -0.04 0.00 0.00 63.50 64.20 1wsu n PRO 533 Cb 0.49 -2.47 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 1wsu n PRO 533 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1wsu s PRO 534 N -2.16 4.20 0.82 0.54 0.04 -1.26 -4.95 135.00 132.24 1wsu s PRO 534 Ca 0.58 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.48 1wsu s PRO 534 Cb -0.50 -2.86 0.09 0.00 0.04 0.00 0.00 34.50 31.26 1wsu s PRO 534 CO 0.60 -0.23 1.10 -1.54 0.04 0.00 0.00 177.00 176.97 1wsu s SER 535 N -0.88 4.24 0.07 6.66 1.04 -1.26 -4.49 113.70 119.08 1wsu s SER 535 Ca 0.53 1.28 -0.32 0.00 0.48 0.00 0.00 55.95 57.92 1wsu s SER 535 Cb -0.34 -1.99 -0.15 0.00 0.10 0.00 0.00 66.02 63.64 1wsu s SER 535 CO 0.44 -2.12 1.49 0.15 0.98 0.00 0.00 173.24 174.18 1wsu h PHE 536 N -1.20 -1.24 -1.04 5.02 3.57 0.11 0.14 116.94 122.30 1wsu h PHE 536 Ca -0.48 0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.30 1wsu h PHE 536 Cb 1.28 0.48 -0.10 0.00 2.79 0.00 0.00 35.95 40.39 1wsu h PHE 536 CO 0.44 -0.60 0.66 -0.22 -2.23 0.00 0.00 178.31 176.35 1wsu h LYS 537 N -0.91 0.41 -0.08 1.11 3.64 -1.94 -0.78 116.57 118.02 1wsu h LYS 537 Ca -0.06 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1wsu h LYS 537 Cb 0.78 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1wsu h LYS 537 CO -0.04 0.27 -0.28 0.93 -2.27 0.00 0.00 179.45 178.06 1wsu h GLU 538 N 0.42 0.33 0.00 1.90 5.08 -1.74 -3.23 114.58 117.34 1wsu h GLU 538 Ca 0.62 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1wsu h GLU 538 Cb 1.49 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1wsu h GLU 538 CO -0.35 0.88 -0.30 0.28 -1.00 0.00 0.00 179.01 178.52 1wsu h VAL 539 N -0.15 1.02 -0.84 3.13 2.07 0.60 -2.96 116.25 119.12 1wsu h VAL 539 Ca -0.01 -1.12 0.11 0.00 0.82 0.00 0.00 66.70 66.50 1wsu h VAL 539 Cb 0.92 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.27 1wsu h VAL 539 CO 0.06 0.30 0.54 0.00 0.02 0.00 0.00 177.57 178.49 1wsu h ALA 540 N 1.70 1.77 0.00 1.67 0.00 -1.24 -2.44 119.26 120.72 1wsu h ALA 540 Ca -0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1wsu h ALA 540 Cb 0.61 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1wsu h ALA 540 CO 0.04 0.04 -1.51 0.78 0.00 0.00 0.00 179.25 178.60 1wsu h GLY 541 N 0.74 0.00 2.00 0.00 0.00 -1.64 -0.72 103.07 103.45 1wsu h GLY 541 Ca 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.68 1wsu h GLY 541 CO -0.16 0.00 -0.21 1.76 0.00 0.00 0.00 176.54 177.93 1wsu h SER 542 N 0.00 0.00 0.00 0.19 0.02 -1.34 -3.06 113.55 109.36 1wsu h SER 542 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1wsu h SER 542 Cb 1.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.44 1wsu h SER 542 CO 0.08 0.21 -1.27 0.49 -1.14 0.00 0.00 176.83 175.20 1wsu n PHE 543 N -4.09 0.00 -2.17 3.45 3.01 -1.03 -5.07 117.46 111.56 1wsu n PHE 543 Ca -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.41 1wsu n PHE 543 Cb 0.28 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1wsu n PHE 543 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1wsu n ASN 544 N -1.72 -5.06 -3.70 4.37 5.03 -0.41 -5.10 115.26 108.67 1wsu n ASN 544 Ca -0.01 0.38 -0.14 0.00 0.87 0.00 0.00 54.58 55.67 1wsu n ASN 544 Cb 0.21 -3.25 -0.08 0.00 -1.02 0.00 0.00 39.78 35.64 1wsu n ASN 544 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1wsu s LEU 545 N -1.61 0.41 1.04 3.41 1.43 -0.42 -5.02 118.68 117.93 1wsu s LEU 545 Ca 0.10 0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 53.45 1wsu s LEU 545 Cb -0.03 1.58 -0.02 0.00 0.03 0.00 0.00 46.19 47.75 1wsu s LEU 545 CO 0.39 -0.39 -0.42 0.47 0.23 0.00 0.00 176.35 176.64 1wsu n ASP 546 N 1.69 -2.95 0.00 2.29 8.00 -1.26 -4.78 116.55 119.53 1wsu n ASP 546 Ca -0.19 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1wsu n ASP 546 Cb 0.56 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1wsu n ASP 546 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1wsu n PRO 547 N -0.27 0.00 0.00 -0.24 -0.02 -1.26 -2.98 135.00 130.23 1wsu n PRO 547 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1wsu n PRO 547 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 1wsu n PRO 547 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1wsu n SER 548 N 0.00 0.19 -0.04 2.55 3.41 -1.26 -1.40 113.62 117.07 1wsu n SER 548 Ca 0.00 -0.59 -0.10 0.00 -0.26 0.00 0.00 58.87 57.92 1wsu n SER 548 Cb 0.00 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 63.71 1wsu n SER 548 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1wsu n GLU 549 N 0.04 0.66 0.25 4.33 0.00 -1.24 -3.62 120.64 121.06 1wsu n GLU 549 Ca 0.00 0.21 0.14 0.00 0.00 0.00 0.00 57.16 57.51 1wsu n GLU 549 Cb 0.05 -1.71 0.57 0.00 0.00 0.00 0.00 31.44 30.35 1wsu n GLU 549 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1wsu h LEU 550 N 0.01 0.00 -0.83 4.31 5.85 -1.12 -2.93 115.31 120.60 1wsu h LEU 550 Ca -0.38 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.40 1wsu h LEU 550 Cb 2.08 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 43.05 1wsu h LEU 550 CO 0.06 0.10 0.51 -0.33 -0.34 0.00 0.00 178.44 178.44 1wsu h GLU 551 N 0.00 0.92 -0.01 1.25 4.39 -1.67 -0.17 114.58 119.28 1wsu h GLU 551 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wsu h GLU 551 Cb 0.63 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1wsu h GLU 551 CO 0.01 0.61 0.09 0.93 -1.16 0.00 0.00 179.01 179.49 1wsu h GLU 552 N 0.95 0.00 0.00 2.33 5.08 -1.68 0.93 114.58 122.19 1wsu h GLU 552 Ca 0.35 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.61 1wsu h GLU 552 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1wsu h GLU 552 CO -0.16 0.00 -1.00 1.28 -1.00 0.00 0.00 179.01 178.13 1wsu n LEU 553 N -3.15 1.86 0.06 1.33 4.77 -0.32 -3.83 117.00 117.72 1wsu n LEU 553 Ca -0.02 0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 56.34 1wsu n LEU 553 Cb 0.16 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.34 1wsu n LEU 553 CO 0.20 -0.16 0.69 -0.07 -1.33 0.00 0.00 177.39 176.72 1wsu h LEU 554 N -1.00 -0.77 -0.74 2.23 3.38 -0.82 -2.02 115.31 115.57 1wsu h LEU 554 Ca -0.15 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1wsu h LEU 554 Cb 0.90 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1wsu h LEU 554 CO -0.09 -0.33 0.37 0.45 0.09 0.00 0.00 178.44 178.93 1wsu h HIS 555 N -0.40 1.06 -0.33 1.13 3.86 -1.07 0.31 115.15 119.70 1wsu h HIS 555 Ca 0.06 -0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1wsu h HIS 555 Cb 0.49 -0.33 -0.06 0.00 1.06 0.00 0.00 27.41 28.56 1wsu h HIS 555 CO -0.30 0.77 -0.08 -0.92 0.86 0.00 0.00 177.93 178.27 1wsu h TYR 556 N 1.04 -0.16 -0.09 2.45 3.20 -1.60 0.66 116.97 122.46 1wsu h TYR 556 Ca 0.26 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 1wsu h TYR 556 Cb 0.10 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1wsu h TYR 556 CO 0.01 -0.14 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.20 1wsu h LEU 557 N 0.01 0.13 0.55 2.82 3.38 -0.86 -1.49 115.31 119.85 1wsu h LEU 557 Ca 0.16 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1wsu h LEU 557 Cb 0.24 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1wsu h LEU 557 CO -0.34 0.27 -0.26 0.58 0.09 0.00 0.00 178.44 178.78 1wsu h VAL 558 N 0.13 0.37 -0.86 1.22 2.07 0.35 -0.71 116.25 118.84 1wsu h VAL 558 Ca 0.03 -0.30 0.12 0.00 0.82 0.00 0.00 66.70 67.37 1wsu h VAL 558 Cb 0.30 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 1wsu h VAL 558 CO 0.02 0.04 0.48 0.08 0.02 0.00 0.00 177.57 178.21 1wsu h ARG 559 N -0.95 0.72 0.00 1.57 0.11 0.37 0.21 114.38 116.42 1wsu h ARG 559 Ca -0.08 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.96 1wsu h ARG 559 Cb 0.63 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1wsu h ARG 559 CO 0.12 0.48 0.00 0.93 0.10 0.00 0.00 179.97 181.60 1wsu h GLU 560 N 0.74 0.00 0.00 0.08 4.39 -1.17 -3.46 114.58 115.16 1wsu h GLU 560 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1wsu h GLU 560 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1wsu h GLU 560 CO -0.30 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 177.96 1wsu n GLY 561 N -0.31 0.72 0.32 -3.84 0.00 0.74 -4.95 105.19 97.88 1wsu n GLY 561 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1wsu n GLY 561 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wsu h VAL 562 N 0.00 1.25 -3.00 1.61 2.07 -1.39 -3.41 116.25 113.38 1wsu h VAL 562 Ca 0.00 -0.81 -0.63 0.00 0.82 0.00 0.00 66.70 66.09 1wsu h VAL 562 Cb 0.00 0.39 -0.14 0.00 -1.52 0.00 0.00 31.29 30.02 1wsu h VAL 562 CO 0.00 0.33 -0.73 -0.76 0.02 0.00 0.00 177.57 176.43 1wsu s LEU 563 N -9.71 2.94 -0.07 2.57 1.43 -1.15 -0.08 118.68 114.60 1wsu s LEU 563 Ca -0.12 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1wsu s LEU 563 Cb 0.15 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.76 1wsu s LEU 563 CO 0.83 0.10 -0.12 -0.69 0.23 0.00 0.00 176.35 176.71 1wsu s VAL 564 N -1.71 1.13 -0.26 -1.59 1.01 -0.30 -4.36 120.40 114.31 1wsu s VAL 564 Ca 0.25 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 1wsu s VAL 564 Cb -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1wsu s VAL 564 CO 0.15 0.36 0.88 -0.75 0.00 0.00 0.00 175.10 175.74 1wsu s LYS 565 N 0.83 4.14 -0.16 2.72 2.20 -1.26 -1.32 119.74 126.89 1wsu s LYS 565 Ca -0.11 0.96 0.01 0.00 -0.36 0.00 0.00 55.97 56.47 1wsu s LYS 565 Cb -0.15 -3.67 -0.23 0.00 -1.51 0.00 0.00 37.83 32.27 1wsu s LYS 565 CO 0.02 -0.61 0.18 -0.89 -0.36 0.00 0.00 175.35 173.69 1wsu n ILE 566 N 5.38 1.62 -3.58 5.43 -0.00 -1.22 -5.01 119.36 121.99 1wsu n ILE 566 Ca 0.07 -0.67 -0.05 0.00 -0.00 0.00 0.00 62.75 62.10 1wsu n ILE 566 Cb 0.47 -1.40 -0.00 0.00 -0.00 0.00 0.00 39.64 38.71 1wsu n ILE 566 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1wsu n ASN 567 N -3.27 -0.85 -0.13 4.38 6.94 -1.22 -4.72 115.26 116.39 1wsu n ASN 567 Ca -0.35 -1.81 -0.06 0.00 -0.02 0.00 0.00 54.58 52.35 1wsu n ASN 567 Cb 1.04 1.48 0.12 0.00 -2.36 0.00 0.00 39.78 40.06 1wsu n ASN 567 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1wsu h ASP 568 N 0.92 0.82 0.46 0.53 3.32 -2.03 -3.34 116.42 117.10 1wsu h ASP 568 Ca -0.14 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1wsu h ASP 568 Cb 0.56 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1wsu h ASP 568 CO 0.18 0.91 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.31 1wsu h GLU 569 N 0.78 -0.60 -4.58 3.56 4.81 -2.00 -3.45 114.58 113.10 1wsu h GLU 569 Ca 0.14 0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.20 1wsu h GLU 569 Cb 0.51 0.14 -0.15 0.00 0.63 0.00 0.00 28.75 29.88 1wsu h GLU 569 CO 0.03 -0.36 -0.68 -0.59 -0.73 0.00 0.00 179.01 176.68 1wsu s PHE 570 N -3.77 0.90 0.25 0.92 -0.12 -1.26 0.15 117.98 115.06 1wsu s PHE 570 Ca -0.10 -1.02 0.10 0.00 -0.05 0.00 0.00 56.93 55.85 1wsu s PHE 570 Cb 0.01 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.82 1wsu s PHE 570 CO 0.33 -0.27 -0.05 0.71 -0.05 0.00 0.00 175.22 175.89 1wsu s TYR 571 N -3.75 2.62 -0.04 3.49 1.51 -1.26 -3.42 117.35 116.50 1wsu s TYR 571 Ca 0.16 -0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.04 1wsu s TYR 571 Cb 0.06 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.71 1wsu s TYR 571 CO -0.02 0.62 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.25 1wsu s TRP 572 N -2.23 2.51 0.62 2.71 0.52 -0.43 -4.75 118.94 117.89 1wsu s TRP 572 Ca 0.30 -0.31 -0.18 0.00 0.02 0.00 0.00 56.10 55.92 1wsu s TRP 572 Cb -0.07 -1.56 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1wsu s TRP 572 CO 0.18 0.06 1.24 -1.58 0.02 0.00 0.00 176.95 176.87 1wsu s HIS 573 N -0.65 2.26 0.23 -1.98 5.65 -1.26 -1.15 115.29 118.39 1wsu s HIS 573 Ca 0.10 1.51 -0.17 0.00 0.25 0.00 0.00 55.06 56.75 1wsu s HIS 573 Cb -0.10 -3.56 0.25 0.00 -1.18 0.00 0.00 32.58 27.99 1wsu s HIS 573 CO -0.00 -2.49 1.56 -0.09 -0.65 0.00 0.00 174.74 173.07 1wsu h ARG 574 N 0.71 -0.02 0.11 2.88 2.43 -0.73 -2.43 114.38 117.34 1wsu h ARG 574 Ca -0.51 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1wsu h ARG 574 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1wsu h ARG 574 CO 0.54 -0.01 -0.05 1.96 -1.51 0.00 0.00 179.97 180.90 1wsu h GLN 575 N -0.02 -0.14 -1.03 0.20 1.08 -1.90 -2.96 115.11 110.34 1wsu h GLN 575 Ca 0.35 0.01 0.27 0.00 -1.45 0.00 0.00 58.65 57.83 1wsu h GLN 575 Cb 0.61 0.03 -0.12 0.00 -0.05 0.00 0.00 27.48 27.95 1wsu h GLN 575 CO -0.95 0.08 0.63 0.00 -0.95 0.00 0.00 178.83 177.64 1wsu h ALA 576 N 0.52 2.00 -0.28 3.87 0.00 -1.79 0.43 119.26 124.01 1wsu h ALA 576 Ca -0.01 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1wsu h ALA 576 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1wsu h ALA 576 CO 0.02 -0.48 -0.06 1.25 0.00 0.00 0.00 179.25 179.99 1wsu h LEU 577 N 0.47 0.53 -0.02 0.00 5.85 -1.44 -0.51 115.31 120.19 1wsu h LEU 577 Ca 0.65 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 59.04 1wsu h LEU 577 Cb 1.43 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 1wsu h LEU 577 CO -0.43 0.77 -0.21 1.23 -0.34 0.00 0.00 178.44 179.46 1wsu h GLY 578 N 0.29 -0.29 1.07 3.75 0.00 -0.06 0.80 103.07 108.63 1wsu h GLY 578 Ca 0.07 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 1wsu h GLY 578 CO 0.03 -0.19 0.48 0.83 0.00 0.00 0.00 176.54 177.69 1wsu h GLU 579 N -0.33 1.21 -0.81 4.80 5.08 -1.01 -0.56 114.58 122.96 1wsu h GLU 579 Ca 0.07 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1wsu h GLU 579 Cb 0.42 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1wsu h GLU 579 CO -0.21 0.88 0.34 0.00 -1.00 0.00 0.00 179.01 179.02 1wsu h ALA 580 N 1.31 1.06 0.00 3.43 0.00 -0.65 -1.13 119.26 123.27 1wsu h ALA 580 Ca 0.31 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1wsu h ALA 580 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1wsu h ALA 580 CO -0.05 0.67 -0.24 0.00 0.00 0.00 0.00 179.25 179.63 1wsu h ARG 581 N 1.18 0.00 -0.09 0.00 3.08 -0.11 -0.66 114.38 117.78 1wsu h ARG 581 Ca 0.27 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.14 1wsu h ARG 581 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1wsu h ARG 581 CO -0.03 0.24 -0.64 1.49 -1.07 0.00 0.00 179.97 179.96 1wsu h GLU 582 N 0.00 0.59 -0.25 0.04 4.57 -0.04 -1.03 114.58 118.47 1wsu h GLU 582 Ca -0.00 -0.52 -0.12 0.00 -1.18 0.00 0.00 59.36 57.54 1wsu h GLU 582 Cb 0.49 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1wsu h GLU 582 CO 0.03 1.14 -0.35 0.28 -1.18 0.00 0.00 179.01 178.94 1wsu h VAL 583 N 0.22 1.29 -0.01 0.32 2.07 -0.93 -2.22 116.25 116.99 1wsu h VAL 583 Ca -0.05 -1.47 -0.11 0.00 0.82 0.00 0.00 66.70 65.89 1wsu h VAL 583 Cb 1.29 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1wsu h VAL 583 CO 0.13 0.46 -0.53 0.40 0.02 0.00 0.00 177.57 178.05 1wsu h ILE 584 N 0.45 1.38 -0.03 4.57 1.08 -1.11 -2.11 117.51 121.74 1wsu h ILE 584 Ca 0.05 -1.82 -0.12 0.00 -0.39 0.00 0.00 64.86 62.58 1wsu h ILE 584 Cb 0.82 1.97 -0.01 0.00 -3.07 0.00 0.00 36.82 36.52 1wsu h ILE 584 CO 0.07 0.52 -0.55 0.50 -0.69 0.00 0.00 178.15 178.00 1wsu h LYS 585 N 0.02 0.09 -0.00 2.37 3.64 -0.71 -3.15 116.57 118.83 1wsu h LYS 585 Ca -0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1wsu h LYS 585 Cb 0.94 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1wsu h LYS 585 CO 0.07 0.62 -0.01 -0.97 -2.27 0.00 0.00 179.45 176.89 1wsu h ASN 586 N 0.07 0.01 -0.14 4.20 -1.24 -1.10 -3.21 115.58 114.17 1wsu h ASN 586 Ca -0.00 -0.65 0.04 0.00 0.71 0.00 0.00 56.30 56.40 1wsu h ASN 586 Cb 1.00 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 1wsu h ASN 586 CO 0.08 0.66 0.84 0.25 -1.29 0.00 0.00 177.43 177.97 1wsu h LEU 587 N -0.63 0.00 -8.59 0.34 5.85 -1.34 -3.48 115.31 107.45 1wsu h LEU 587 Ca -0.00 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 58.04 1wsu h LEU 587 Cb 0.66 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 41.41 1wsu h LEU 587 CO 0.00 0.00 -0.82 0.00 -0.34 0.00 0.00 178.44 177.28 1wsu s ALA 588 N -4.10 2.43 0.12 1.25 0.00 -1.22 -4.85 121.76 115.40 1wsu s ALA 588 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1wsu s ALA 588 Cb 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1wsu s ALA 588 CO 0.14 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1wsu n GLY 591 N 3.12 -0.97 3.45 0.00 0.00 -1.26 -5.10 105.19 104.43 1wsu n GLY 591 Ca -0.18 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 1wsu n GLY 591 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wsu n PRO 592 N 0.00 -0.85 -3.67 1.61 -0.02 -1.26 -4.89 135.00 125.92 1wsu n PRO 592 Ca 0.00 -0.21 -0.14 0.00 -2.02 0.00 0.00 63.50 61.13 1wsu n PRO 592 Cb 0.00 -1.98 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 1wsu n PRO 592 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1wsu s PHE 593 N -2.42 -0.32 0.57 6.00 -0.12 -1.14 -5.01 117.98 115.54 1wsu s PHE 593 Ca 0.60 0.46 0.04 0.00 -0.05 0.00 0.00 56.93 57.98 1wsu s PHE 593 Cb -0.20 0.21 0.11 0.00 -0.63 0.00 0.00 43.02 42.51 1wsu s PHE 593 CO 0.65 -0.50 0.79 0.41 -0.05 0.00 0.00 175.22 176.52 1wsu n GLY 594 N 0.93 1.27 0.19 1.99 0.00 -1.26 -2.30 105.19 106.01 1wsu n GLY 594 Ca -0.20 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.66 1wsu n GLY 594 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wsu h LEU 595 N 0.00 0.36 -0.24 0.99 5.85 -1.99 -1.82 115.31 118.46 1wsu h LEU 595 Ca -0.26 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.13 1wsu h LEU 595 Cb 1.08 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1wsu h LEU 595 CO 0.32 0.81 -0.43 0.00 -0.34 0.00 0.00 178.44 178.80 1wsu h ALA 596 N 1.20 0.38 -0.73 1.25 0.00 -1.98 0.23 119.26 119.62 1wsu h ALA 596 Ca 0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1wsu h ALA 596 Cb 0.99 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1wsu h ALA 596 CO 0.08 0.50 0.28 0.93 0.00 0.00 0.00 179.25 181.04 1wsu h GLU 597 N 0.45 1.10 -0.41 0.00 5.08 -1.92 -1.32 114.58 117.56 1wsu h GLU 597 Ca 0.01 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1wsu h GLU 597 Cb 1.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1wsu h GLU 597 CO 0.10 0.92 -0.29 0.00 -1.00 0.00 0.00 179.01 178.74 1wsu h ALA 598 N 1.13 0.59 -0.07 3.43 0.00 -1.27 0.93 119.26 124.01 1wsu h ALA 598 Ca 0.24 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1wsu h ALA 598 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1wsu h ALA 598 CO -0.02 0.63 -0.14 -0.09 0.00 0.00 0.00 179.25 179.63 1wsu h ARG 599 N 0.75 0.11 0.09 0.00 2.43 -0.65 -1.63 114.38 115.47 1wsu h ARG 599 Ca 0.08 -0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 58.96 1wsu h ARG 599 Cb 0.87 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1wsu h ARG 599 CO 0.08 0.25 -1.26 -0.44 -1.51 0.00 0.00 179.97 177.09 1wsu h ASP 600 N 0.10 0.30 -0.95 -3.80 3.32 -1.01 0.68 116.42 115.06 1wsu h ASP 600 Ca 0.02 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 56.78 1wsu h ASP 600 Cb 0.31 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 1wsu h ASP 600 CO 0.02 1.27 0.62 0.00 -1.72 0.00 0.00 179.24 179.43 1wsu h ALA 601 N 0.68 1.43 -0.01 3.45 0.00 0.08 -1.74 119.26 123.14 1wsu h ALA 601 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wsu h ALA 601 Cb 1.93 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1wsu h ALA 601 CO 0.17 0.46 -0.61 1.28 0.00 0.00 0.00 179.25 180.55 1wsu n LEU 602 N -4.47 1.44 -3.58 0.00 4.77 -0.72 -4.98 117.00 109.45 1wsu n LEU 602 Ca 0.14 -0.65 -0.19 0.00 -0.03 0.00 0.00 56.01 55.27 1wsu n LEU 602 Cb 0.15 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1wsu n LEU 602 CO 0.34 0.29 0.01 0.61 -1.33 0.00 0.00 177.39 177.31 1wsu n GLY 603 N 1.36 -0.32 0.00 -0.72 0.00 0.14 -4.99 105.19 100.65 1wsu n GLY 603 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1wsu n GLY 603 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wsu n SER 604 N -3.09 1.55 -4.43 1.61 2.88 0.19 -4.99 113.62 107.35 1wsu n SER 604 Ca -0.30 -0.91 -0.22 0.00 -1.33 0.00 0.00 58.87 56.11 1wsu n SER 604 Cb 0.68 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.03 1wsu n SER 604 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wsu s SER 605 N -0.82 3.25 0.42 -3.46 1.04 -1.26 -4.69 113.70 108.17 1wsu s SER 605 Ca 0.00 -1.01 0.19 0.00 0.48 0.00 0.00 55.95 55.61 1wsu s SER 605 Cb 0.00 -0.24 1.11 0.00 0.10 0.00 0.00 66.02 66.99 1wsu s SER 605 CO 0.00 -0.02 1.83 0.03 0.98 0.00 0.00 173.24 176.06 1wsu h ARG 606 N 2.44 0.37 -0.97 4.02 3.08 -1.96 0.17 114.38 121.54 1wsu h ARG 606 Ca -0.40 -0.02 0.32 0.00 0.07 0.00 0.00 59.98 59.95 1wsu h ARG 606 Cb 1.24 -0.08 -0.16 0.00 0.08 0.00 0.00 29.97 31.05 1wsu h ARG 606 CO 0.60 0.25 0.44 -0.22 -1.07 0.00 0.00 179.97 179.96 1wsu h LYS 607 N 0.38 0.20 0.00 0.04 3.64 -2.00 -1.53 116.57 117.30 1wsu h LYS 607 Ca 0.50 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.65 1wsu h LYS 607 Cb 1.30 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1wsu h LYS 607 CO -0.20 0.13 -1.79 0.66 -2.27 0.00 0.00 179.45 175.98 1wsu n TYR 608 N -5.17 0.00 -0.27 1.91 4.02 0.15 -4.55 117.16 113.25 1wsu n TYR 608 Ca 0.30 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 58.14 1wsu n TYR 608 Cb 0.96 -0.52 0.06 0.00 -0.02 0.00 0.00 39.34 39.82 1wsu n TYR 608 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1wsu h VAL 609 N -0.21 1.21 -0.13 -0.72 2.07 -0.76 -0.96 116.25 116.74 1wsu h VAL 609 Ca -0.33 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1wsu h VAL 609 Cb 1.41 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1wsu h VAL 609 CO -0.12 0.21 -0.04 0.25 0.02 0.00 0.00 177.57 177.89 1wsu h LEU 610 N 1.02 -0.15 -0.30 2.57 5.85 -1.46 0.92 115.31 123.76 1wsu h LEU 610 Ca 0.27 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1wsu h LEU 610 Cb -0.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1wsu h LEU 610 CO -0.05 -0.06 0.19 -0.65 -0.34 0.00 0.00 178.44 177.53 1wsu h PRO 611 N -0.02 0.39 -0.88 5.25 0.11 -1.62 -2.02 132.00 133.21 1wsu h PRO 611 Ca 0.07 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.19 1wsu h PRO 611 Cb 0.12 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.09 1wsu h PRO 611 CO -0.15 0.28 0.56 1.25 -0.21 0.00 0.00 178.00 179.74 1wsu h LEU 612 N 0.39 0.92 -0.89 2.35 5.85 -0.83 -0.87 115.31 122.23 1wsu h LEU 612 Ca 0.11 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1wsu h LEU 612 Cb -0.02 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1wsu h LEU 612 CO -0.02 0.62 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.38 1wsu h LEU 613 N 1.08 0.53 -0.69 2.25 3.38 -0.60 0.60 115.31 121.86 1wsu h LEU 613 Ca 0.36 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1wsu h LEU 613 Cb 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1wsu h LEU 613 CO -0.13 0.77 0.16 -0.33 0.09 0.00 0.00 178.44 179.00 1wsu h GLU 614 N 0.46 1.10 0.20 1.13 3.07 -0.67 -1.68 114.58 118.19 1wsu h GLU 614 Ca 0.07 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 1wsu h GLU 614 Cb 0.68 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1wsu h GLU 614 CO 0.05 0.98 -0.09 -0.92 -1.40 0.00 0.00 179.01 177.63 1wsu h TYR 615 N 1.03 -0.25 0.00 4.33 3.20 -0.70 -2.28 116.97 122.31 1wsu h TYR 615 Ca 0.21 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1wsu h TYR 615 Cb 0.38 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1wsu h TYR 615 CO 0.03 0.01 0.01 -0.07 -1.64 0.00 0.00 178.16 176.50 1wsu h LEU 616 N -0.48 0.00 0.02 2.82 3.38 -0.76 -0.73 115.31 119.56 1wsu h LEU 616 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1wsu h LEU 616 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1wsu h LEU 616 CO 0.04 0.00 -0.20 0.44 0.09 0.00 0.00 178.44 178.81 1wsu h ASP 617 N 0.00 0.14 -0.88 -0.43 3.32 -1.00 0.19 116.42 117.77 1wsu h ASP 617 Ca 0.00 -0.89 0.04 0.00 0.02 0.00 0.00 57.03 56.21 1wsu h ASP 617 Cb 0.03 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 1wsu h ASP 617 CO 0.00 1.01 0.58 -0.61 -1.72 0.00 0.00 179.24 178.50 1wsu h GLN 618 N -0.71 1.04 -0.26 3.56 4.15 -0.61 -1.34 115.11 120.94 1wsu h GLN 618 Ca -0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1wsu h GLN 618 Cb 1.06 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1wsu h GLN 618 CO 0.04 0.69 0.00 1.33 -1.93 0.00 0.00 178.83 178.96 1wsu n VAL 619 N -4.45 0.35 -3.13 2.39 0.24 -0.56 -4.92 118.33 108.24 1wsu n VAL 619 Ca 0.12 -0.39 -0.21 0.00 -2.04 0.00 0.00 64.34 61.82 1wsu n VAL 619 Cb 0.12 0.26 0.05 0.00 -1.47 0.00 0.00 33.84 32.80 1wsu n VAL 619 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wsu n LYS 620 N 0.37 -5.42 -0.06 7.34 4.76 -0.51 -4.90 118.16 119.75 1wsu n LYS 620 Ca 0.13 0.81 -0.22 0.00 -2.87 0.00 0.00 58.31 56.16 1wsu n LYS 620 Cb 0.29 -5.55 -0.13 0.00 -1.84 0.00 0.00 35.03 27.80 1wsu n LYS 620 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1wsu n PHE 621 N -4.54 0.96 -4.73 2.13 7.35 0.46 -4.80 117.46 114.28 1wsu n PHE 621 Ca -0.07 0.28 -0.26 0.00 -0.76 0.00 0.00 57.45 56.64 1wsu n PHE 621 Cb 0.59 -1.11 -0.17 0.00 0.35 0.00 0.00 39.48 39.14 1wsu n PHE 621 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1wsu s THR 622 N -2.49 1.35 -0.01 -2.13 -4.23 -0.06 -1.69 115.64 106.38 1wsu s THR 622 Ca -0.27 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1wsu s THR 622 Cb 0.07 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 72.67 1wsu s THR 622 CO 0.67 0.40 -0.04 -0.60 -0.54 0.00 0.00 174.62 174.52 1wsu s ARG 623 N 0.58 2.70 -1.03 3.99 3.52 -0.88 -3.49 118.95 124.34 1wsu s ARG 623 Ca -0.15 -0.63 -0.18 0.00 -0.13 0.00 0.00 55.73 54.63 1wsu s ARG 623 Cb -0.16 -2.60 0.12 0.00 -1.56 0.00 0.00 34.95 30.75 1wsu s ARG 623 CO 0.05 0.63 1.30 0.50 -0.81 0.00 0.00 175.30 176.96 1wsu s ARG 624 N -1.35 3.73 -1.08 5.12 3.52 -1.26 -0.20 118.95 127.42 1wsu s ARG 624 Ca 0.17 -1.84 -0.13 0.00 -0.13 0.00 0.00 55.73 53.80 1wsu s ARG 624 Cb -0.11 -5.08 0.20 0.00 -1.56 0.00 0.00 34.95 28.40 1wsu s ARG 624 CO 0.07 -1.89 1.19 0.08 -0.81 0.00 0.00 175.30 173.95 1wsu s VAL 625 N 2.98 5.35 0.00 7.11 1.01 -0.62 -4.91 120.40 131.32 1wsu s VAL 625 Ca 0.39 -2.67 0.00 0.00 0.00 0.00 0.00 61.98 59.70 1wsu s VAL 625 Cb -0.03 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.61 1wsu s VAL 625 CO -0.06 -1.39 0.00 0.61 0.00 0.00 0.00 175.10 174.25 1wsu n GLY 626 N 3.91 -0.31 0.18 4.51 0.00 -1.26 -4.19 105.19 108.04 1wsu n GLY 626 Ca 0.28 -1.92 0.04 0.00 0.00 0.00 0.00 46.02 44.42 1wsu n GLY 626 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wsu n ASP 627 N 0.00 0.53 -4.27 1.61 5.75 -1.26 -4.80 116.55 114.11 1wsu n ASP 627 Ca 0.00 -1.85 -0.15 0.00 -0.01 0.00 0.00 54.79 52.78 1wsu n ASP 627 Cb 0.00 -0.06 -0.10 0.00 -1.03 0.00 0.00 41.12 39.93 1wsu n ASP 627 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1wsu s LYS 628 N -1.88 1.19 0.26 0.11 1.02 -1.26 -4.80 119.74 114.38 1wsu s LYS 628 Ca 0.14 -1.58 0.07 0.00 0.02 0.00 0.00 55.97 54.61 1wsu s LYS 628 Cb 0.07 -0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 1wsu s LYS 628 CO 0.10 -0.10 0.26 1.03 -0.92 0.00 0.00 175.35 175.72 1wsu s ARG 629 N -3.88 3.05 -0.11 1.68 1.81 -0.97 -1.59 118.95 118.93 1wsu s ARG 629 Ca 0.25 -1.00 -0.03 0.00 -1.72 0.00 0.00 55.73 53.22 1wsu s ARG 629 Cb 0.06 -2.65 0.05 0.00 -0.45 0.00 0.00 34.95 31.96 1wsu s ARG 629 CO 0.05 0.36 0.10 0.08 -0.68 0.00 0.00 175.30 175.22 1wsu s VAL 630 N -2.11 -0.15 -0.60 3.52 1.01 0.72 -2.88 120.40 119.90 1wsu s VAL 630 Ca 0.34 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 62.23 1wsu s VAL 630 Cb -0.08 -0.37 -0.10 0.00 0.00 0.00 0.00 36.38 35.83 1wsu s VAL 630 CO 0.26 -0.02 2.45 0.52 0.00 0.00 0.00 175.10 178.31 1wsu n VAL 631 N 5.30 -0.07 -1.65 2.92 0.31 -1.26 -2.08 118.33 121.80 1wsu n VAL 631 Ca -0.05 -0.67 -0.42 0.00 -0.01 0.00 0.00 64.34 63.19 1wsu n VAL 631 Cb 0.50 -2.39 -0.03 0.00 -0.91 0.00 0.00 33.84 31.01 1wsu n VAL 631 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1wsu n VAL 632 N 8.01 0.74 0.42 2.52 0.24 -0.68 -4.78 118.33 124.80 1wsu n VAL 632 Ca 0.42 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.55 1wsu n VAL 632 Cb 0.47 -2.35 0.00 0.00 -1.47 0.00 0.00 33.84 30.49 1wsu n VAL 632 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wsu n GLY 633 N 4.67 0.62 2.80 7.63 0.00 -1.26 -4.87 105.19 114.78 1wsu n GLY 633 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1wsu n GLY 633 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48