#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyu s THR 513 N 0.00 2.71 0.21 -0.72 -4.23 -1.26 -4.03 115.64 108.32 3gyu s THR 513 Ca 0.00 0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 60.58 3gyu s THR 513 Cb 0.00 -2.52 -0.08 0.00 1.34 0.00 0.00 72.50 71.25 3gyu s THR 513 CO 0.00 -0.30 0.65 -0.76 -0.54 0.00 0.00 174.62 173.67 3gyu s LEU 514 N -6.28 4.28 0.83 4.79 1.43 -1.26 -4.98 118.68 117.49 3gyu s LEU 514 Ca 0.64 1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 54.87 3gyu s LEU 514 Cb -0.20 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.55 3gyu s LEU 514 CO 0.57 0.01 1.12 -0.94 0.23 0.00 0.00 176.35 177.34 3gyu s SER 515 N -1.84 3.78 0.42 2.29 1.04 -1.26 -4.86 113.70 113.27 3gyu s SER 515 Ca 0.44 2.01 0.12 0.00 0.48 0.00 0.00 55.95 58.99 3gyu s SER 515 Cb -0.14 -2.54 0.92 0.00 0.10 0.00 0.00 66.02 64.35 3gyu s SER 515 CO 0.20 -2.53 1.99 -0.33 0.98 0.00 0.00 173.24 173.54 3gyu h GLU 516 N -1.43 0.17 -0.25 4.02 5.08 -1.99 -2.07 114.58 118.10 3gyu h GLU 516 Ca -0.43 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3gyu h GLU 516 Cb 1.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3gyu h GLU 516 CO 0.47 0.27 0.15 -0.22 -1.00 0.00 0.00 179.01 178.67 3gyu h LYS 517 N 0.17 0.35 -1.00 2.33 3.64 -1.99 -1.45 116.57 118.62 3gyu h LYS 517 Ca 0.04 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3gyu h LYS 517 Cb 0.26 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3gyu h LYS 517 CO 0.01 0.29 0.66 -0.44 -2.27 0.00 0.00 179.45 177.70 3gyu h ASP 518 N 0.31 1.14 -0.13 4.20 5.19 -1.80 -0.98 116.42 124.36 3gyu h ASP 518 Ca 0.09 -0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 3gyu h ASP 518 Cb 0.03 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.24 3gyu h ASP 518 CO -0.02 0.83 -0.11 -0.07 -3.12 0.00 0.00 179.24 176.75 3gyu h LEU 519 N 1.35 0.46 -0.51 1.55 3.38 -1.16 0.50 115.31 120.87 3gyu h LEU 519 Ca 0.37 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 3gyu h LEU 519 Cb -0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3gyu h LEU 519 CO -0.08 0.61 -0.15 0.50 0.09 0.00 0.00 178.44 179.40 3gyu h LYS 520 N 0.44 1.01 -0.34 1.13 3.64 -0.47 -0.55 116.57 121.43 3gyu h LYS 520 Ca 0.08 -0.40 -0.07 0.00 -1.27 0.00 0.00 60.65 59.00 3gyu h LYS 520 Cb 0.47 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3gyu h LYS 520 CO 0.03 1.08 -0.06 1.49 -2.27 0.00 0.00 179.45 179.72 3gyu h GLU 521 N 0.87 0.64 -0.27 1.90 4.22 -0.13 -2.19 114.58 119.62 3gyu h GLU 521 Ca 0.13 -0.23 -0.01 0.00 0.08 0.00 0.00 59.36 59.32 3gyu h GLU 521 Cb 0.72 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3gyu h GLU 521 CO 0.06 0.79 0.12 -0.07 -2.18 0.00 0.00 179.01 177.73 3gyu h LEU 522 N 0.43 0.33 -0.48 1.64 4.07 -0.74 -0.02 115.31 120.53 3gyu h LEU 522 Ca 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 3gyu h LEU 522 Cb 0.55 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 3gyu h LEU 522 CO 0.03 0.30 0.25 0.44 -1.08 0.00 0.00 178.44 178.38 3gyu h ASP 523 N 0.38 0.62 -0.36 -0.43 3.32 -0.82 0.18 116.42 119.31 3gyu h ASP 523 Ca 0.10 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3gyu h ASP 523 Cb 0.06 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3gyu h ASP 523 CO -0.01 0.55 0.18 -1.28 -1.72 0.00 0.00 179.24 176.96 3gyu h SER 524 N 0.64 0.46 -0.15 6.45 0.87 -0.67 -0.87 113.55 120.28 3gyu h SER 524 Ca 0.17 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3gyu h SER 524 Cb 0.09 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3gyu h SER 524 CO -0.02 0.44 0.06 0.40 -0.53 0.00 0.00 176.83 177.18 3gyu h ILE 525 N 0.45 1.14 -0.58 2.23 1.08 -0.90 -2.13 117.51 118.80 3gyu h ILE 525 Ca 0.12 -0.42 0.11 0.00 -0.39 0.00 0.00 64.86 64.29 3gyu h ILE 525 Cb 0.09 1.15 -0.09 0.00 -3.07 0.00 0.00 36.82 34.91 3gyu h ILE 525 CO -0.02 0.13 0.07 -0.09 -0.69 0.00 0.00 178.15 177.56 3gyu h ARG 526 N 0.09 0.19 -0.65 2.37 9.65 -0.44 -2.47 114.38 123.13 3gyu h ARG 526 Ca 0.05 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3gyu h ARG 526 Cb 0.15 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 3gyu h ARG 526 CO -0.00 0.13 0.33 -0.44 2.80 0.00 0.00 179.97 182.78 3gyu h ASP 527 N 0.20 0.83 -0.79 -3.80 3.32 -0.86 -2.75 116.42 112.57 3gyu h ASP 527 Ca 0.30 -0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.33 3gyu h ASP 527 Cb 0.46 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.72 3gyu h ASP 527 CO -0.43 0.71 0.43 0.28 -1.72 0.00 0.00 179.24 178.51 3gyu h SER 528 N 0.89 0.59 -0.20 6.45 0.02 -1.09 -3.01 113.55 117.20 3gyu h SER 528 Ca 0.22 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3gyu h SER 528 Cb 0.09 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3gyu h SER 528 CO -0.03 0.33 0.00 0.49 -1.14 0.00 0.00 176.83 176.48 3gyu n PHE 529 N -4.79 0.25 0.44 3.45 3.01 -0.96 -4.22 117.46 114.65 3gyu n PHE 529 Ca 0.13 -0.13 0.13 0.00 1.01 0.00 0.00 57.45 58.59 3gyu n PHE 529 Cb 0.29 0.00 0.47 0.00 -0.01 0.00 0.00 39.48 40.23 3gyu n PHE 529 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 3gyu h GLN 530 N 2.28 0.00 -2.17 -1.08 -0.00 -1.34 -3.37 115.11 109.43 3gyu h GLN 530 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.58 3gyu h GLN 530 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.96 3gyu h GLN 530 CO 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 178.83 178.76 3gyu n ASN 533 N 2.20 0.00 -3.86 0.00 5.03 -1.26 -4.97 115.26 112.40 3gyu n ASN 533 Ca 0.16 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.51 3gyu n ASN 533 Cb 0.51 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.18 3gyu n ASN 533 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3gyu s GLU 534 N 0.00 0.64 0.49 3.52 2.02 -1.26 -4.82 118.70 119.30 3gyu s GLU 534 Ca 0.00 -0.60 -0.23 0.00 0.02 0.00 0.00 54.97 54.16 3gyu s GLU 534 Cb 0.00 0.26 -0.06 0.00 0.10 0.00 0.00 34.13 34.43 3gyu s GLU 534 CO 0.00 -0.18 1.30 -1.25 0.02 0.00 0.00 175.26 175.15 3gyu s PRO 535 N -2.35 3.48 0.13 0.39 0.04 -1.26 -4.77 135.00 130.66 3gyu s PRO 535 Ca -0.07 2.10 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 3gyu s PRO 535 Cb -0.02 -2.40 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 3gyu s PRO 535 CO -0.03 -0.87 1.08 -0.51 0.04 0.00 0.00 177.00 176.71 3gyu s LEU 536 N -3.16 4.46 -0.16 -3.56 1.43 -1.26 -4.90 118.68 111.52 3gyu s LEU 536 Ca 0.66 1.99 0.14 0.00 -1.03 0.00 0.00 54.13 55.89 3gyu s LEU 536 Cb -0.37 -3.59 0.68 0.00 0.03 0.00 0.00 46.19 42.94 3gyu s LEU 536 CO 0.45 -0.24 1.56 -0.67 0.23 0.00 0.00 176.35 177.68 3gyu n ASP 537 N 2.81 4.77 -4.62 2.29 -0.08 -1.26 -4.88 116.55 115.58 3gyu n ASP 537 Ca 0.04 -2.64 -0.26 0.00 -1.51 0.00 0.00 54.79 50.42 3gyu n ASP 537 Cb 0.47 -0.62 -0.08 0.00 2.34 0.00 0.00 41.12 43.23 3gyu n ASP 537 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 3gyu s ASN 538 N -0.74 4.53 -0.12 1.67 3.04 -1.26 -5.05 114.94 117.01 3gyu s ASN 538 Ca 0.46 -0.52 0.11 0.00 0.04 0.00 0.00 52.86 52.96 3gyu s ASN 538 Cb 0.33 -0.87 -0.15 0.00 -1.54 0.00 0.00 41.25 39.02 3gyu s ASN 538 CO 0.17 0.08 0.05 0.47 -3.04 0.00 0.00 177.10 174.83 3gyu n ASP 539 N -0.23 1.95 -0.07 -4.21 9.92 -1.26 -3.27 116.55 119.38 3gyu n ASP 539 Ca -0.09 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.02 3gyu n ASP 539 Cb 0.56 0.84 -0.04 0.00 -0.64 0.00 0.00 41.12 41.84 3gyu n ASP 539 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 3gyu h GLN 540 N 0.00 0.87 -0.46 -1.24 4.20 -1.97 -0.82 115.11 115.68 3gyu h GLN 540 Ca -0.32 -0.56 -0.03 0.00 0.06 0.00 0.00 58.65 57.80 3gyu h GLN 540 Cb 1.71 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.54 3gyu h GLN 540 CO 0.02 1.19 0.17 1.96 -0.67 0.00 0.00 178.83 181.50 3gyu h GLN 541 N 0.66 0.69 0.00 1.46 4.20 -1.99 -1.14 115.11 118.99 3gyu h GLN 541 Ca 0.01 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3gyu h GLN 541 Cb 1.17 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3gyu h GLN 541 CO 0.12 0.64 0.00 0.00 -0.67 0.00 0.00 178.83 178.92 3gyu h ALA 542 N 1.02 1.00 0.22 3.87 0.00 -1.54 -2.67 119.26 121.16 3gyu h ALA 542 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.75 3gyu h ALA 542 Cb 0.21 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.04 3gyu h ALA 542 CO -0.01 0.00 -1.37 1.03 0.00 0.00 0.00 179.25 178.90 3gyu h SER 543 N 0.00 0.82 -0.67 0.00 0.87 -0.94 -2.04 113.55 111.59 3gyu h SER 543 Ca 0.00 -0.90 -0.03 0.00 -1.23 0.00 0.00 61.79 59.63 3gyu h SER 543 Cb 0.69 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3gyu h SER 543 CO 0.00 1.66 0.30 0.74 -0.53 0.00 0.00 176.83 179.01 3gyu h THR 544 N 0.12 1.23 0.41 2.23 2.02 -1.06 -2.52 112.91 115.34 3gyu h THR 544 Ca -0.23 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 3gyu h THR 544 Cb 2.07 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3gyu h THR 544 CO 0.26 0.28 -0.20 -0.07 0.37 0.00 0.00 175.52 176.16 3gyu h LEU 545 N 0.94 -0.47 0.00 2.58 3.38 -1.52 -3.03 115.31 117.19 3gyu h LEU 545 Ca 0.23 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3gyu h LEU 545 Cb 0.15 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3gyu h LEU 545 CO -0.03 -0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.29 3gyu n ALA 546 N -2.43 1.43 -1.67 1.53 0.00 -0.77 -4.53 120.51 114.07 3gyu n ALA 546 Ca -0.11 -0.03 -0.45 0.00 0.00 0.00 0.00 53.44 52.86 3gyu n ALA 546 Cb 0.27 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 3gyu n ALA 546 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gyu n LYS 547 N -1.32 2.55 0.08 0.00 4.81 -0.95 -4.86 118.16 118.47 3gyu n LYS 547 Ca 0.03 0.93 0.20 0.00 -0.87 0.00 0.00 58.31 58.59 3gyu n LYS 547 Cb 0.05 -2.86 0.75 0.00 0.02 0.00 0.00 35.03 32.98 3gyu n LYS 547 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 3gyu h LYS 548 N 10.17 0.00 -5.45 1.64 -0.00 -1.90 -3.41 116.57 117.62 3gyu h LYS 548 Ca -0.49 0.00 -0.57 0.00 -0.00 0.00 0.00 60.65 59.59 3gyu h LYS 548 Cb 1.25 0.00 -0.31 0.00 -0.00 0.00 0.00 32.23 33.18 3gyu h LYS 548 CO 0.95 0.00 -0.84 -1.21 -0.00 0.00 0.00 179.45 178.34 3gyu s GLU 549 N -4.77 1.79 -0.36 0.07 0.41 -1.26 -5.03 118.70 109.55 3gyu s GLU 549 Ca -0.05 -0.64 0.04 0.00 -0.41 0.00 0.00 54.97 53.91 3gyu s GLU 549 Cb 0.17 -1.58 0.10 0.00 -1.78 0.00 0.00 34.13 31.04 3gyu s GLU 549 CO 0.62 0.28 0.08 -1.01 -0.49 0.00 0.00 175.26 174.74 3gyu s HIS 550 N -0.07 3.49 0.89 1.61 3.76 -1.26 -5.01 115.29 118.69 3gyu s HIS 550 Ca -0.02 -2.90 -0.12 0.00 -0.15 0.00 0.00 55.06 51.87 3gyu s HIS 550 Cb -0.11 -2.79 0.20 0.00 1.11 0.00 0.00 32.58 30.99 3gyu s HIS 550 CO 0.02 -0.92 1.21 0.27 -0.85 0.00 0.00 174.74 174.47 3gyu n ASN 551 N 4.18 0.40 -0.27 1.40 0.23 -1.26 -4.80 115.26 115.14 3gyu n ASN 551 Ca 0.04 -1.62 -0.01 0.00 -0.53 0.00 0.00 54.58 52.45 3gyu n ASN 551 Cb 0.41 -0.90 0.11 0.00 -2.08 0.00 0.00 39.78 37.32 3gyu n ASN 551 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3gyu h PRO 552 N 0.00 0.80 -0.62 -0.53 0.11 -1.92 -1.49 132.00 128.35 3gyu h PRO 552 Ca -0.39 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.74 3gyu h PRO 552 Cb 1.16 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 3gyu h PRO 552 CO 0.31 0.53 0.30 1.15 -0.21 0.00 0.00 178.00 180.07 3gyu h THR 553 N 0.82 0.88 -0.65 -1.15 2.02 -1.92 -2.00 112.91 110.91 3gyu h THR 553 Ca 0.33 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 3gyu h THR 553 Cb 0.16 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3gyu h THR 553 CO -0.17 0.10 0.09 0.44 0.37 0.00 0.00 175.52 176.35 3gyu h ASP 554 N 0.54 1.04 -0.72 4.18 3.32 -1.74 -2.31 116.42 120.73 3gyu h ASP 554 Ca 0.29 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3gyu h ASP 554 Cb 0.27 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3gyu h ASP 554 CO -0.23 1.05 0.35 0.40 -1.72 0.00 0.00 179.24 179.09 3gyu h ILE 555 N 1.00 1.23 -0.64 0.35 1.08 -0.94 -1.51 117.51 118.08 3gyu h ILE 555 Ca 0.19 -0.65 -0.07 0.00 -0.39 0.00 0.00 64.86 63.94 3gyu h ILE 555 Cb 0.46 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 3gyu h ILE 555 CO 0.02 0.28 0.13 -0.07 -0.69 0.00 0.00 178.15 177.81 3gyu h LEU 556 N 1.04 1.00 -0.79 1.44 3.38 -1.18 -3.02 115.31 117.18 3gyu h LEU 556 Ca 0.25 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3gyu h LEU 556 Cb 0.11 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3gyu h LEU 556 CO -0.03 0.99 0.36 0.78 0.09 0.00 0.00 178.44 180.62 3gyu h ASN 557 N 0.97 1.06 0.00 -0.43 2.35 -0.97 -2.61 115.58 115.95 3gyu h ASN 557 Ca 0.20 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3gyu h ASN 557 Cb 0.40 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3gyu h ASN 557 CO 0.01 0.92 0.00 0.52 -1.65 0.00 0.00 177.43 177.22 3gyu n VAL 558 N -4.33 0.21 0.00 2.81 0.31 -0.61 -3.43 118.33 113.29 3gyu n VAL 558 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3gyu n VAL 558 Cb 0.16 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 3gyu n VAL 558 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3gyu n ASP 560 N 0.87 0.00 0.26 4.52 2.03 -0.98 -3.26 116.55 119.99 3gyu n ASP 560 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 3gyu n ASP 560 Cb 0.11 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.42 3gyu n ASP 560 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3gyu h ILE 561 N 0.00 0.53 0.00 5.18 1.08 -1.87 -1.81 117.51 120.62 3gyu h ILE 561 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3gyu h ILE 561 Cb 0.00 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 3gyu h ILE 561 CO 0.00 0.02 0.00 0.41 -0.69 0.00 0.00 178.15 177.89 3gyu n THR 562 N -5.33 0.09 0.00 -0.27 -1.04 -1.20 -2.18 114.28 104.35 3gyu n THR 562 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3gyu n THR 562 Cb 0.28 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 3gyu n THR 562 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3gyu n ARG 564 N 0.86 0.00 0.15 -2.82 1.74 -0.68 -0.39 116.66 115.51 3gyu n ARG 564 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3gyu n ARG 564 Cb 0.05 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 31.74 3gyu n ARG 564 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gyu h ARG 565 N 0.00 0.01 -0.44 5.56 3.08 -1.69 -1.01 114.38 119.89 3gyu h ARG 565 Ca 0.00 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3gyu h ARG 565 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3gyu h ARG 565 CO 0.00 0.52 -0.20 1.25 -1.07 0.00 0.00 179.97 180.47 3gyu h LEU 566 N 0.01 0.94 -0.23 3.04 7.12 -0.98 -3.15 115.31 122.05 3gyu h LEU 566 Ca -0.00 -0.40 -0.18 0.00 0.13 0.00 0.00 57.88 57.43 3gyu h LEU 566 Cb 0.92 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 3gyu h LEU 566 CO 0.07 1.13 -0.55 0.58 -0.13 0.00 0.00 178.44 179.53 3gyu h VAL 567 N 0.74 1.29 0.00 1.05 2.07 -1.78 -2.37 116.25 117.25 3gyu h VAL 567 Ca 0.10 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3gyu h VAL 567 Cb 0.77 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3gyu h VAL 567 CO 0.06 0.56 0.00 1.17 0.02 0.00 0.00 177.57 179.38 3gyu n LYS 568 N -4.07 0.00 0.00 1.57 4.81 -0.40 -2.09 118.16 117.98 3gyu n LYS 568 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3gyu n LYS 568 Cb 0.63 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.50 3gyu n LYS 568 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gyu n ALA 570 N 0.72 0.00 -0.36 3.14 0.00 -0.89 -2.42 120.51 120.70 3gyu n ALA 570 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3gyu n ALA 570 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 3gyu n ALA 570 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3gyu h LYS 571 N 0.00 1.21 -0.90 0.00 1.57 -1.72 -2.06 116.57 114.67 3gyu h LYS 571 Ca 0.00 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 3gyu h LYS 571 Cb 0.00 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 31.99 3gyu h LYS 571 CO 0.00 0.80 0.10 2.89 -0.57 0.00 0.00 179.45 182.67 3gyu n ARG 572 N -4.45 2.17 -3.87 3.15 1.85 -1.01 -4.74 116.66 109.75 3gyu n ARG 572 Ca 0.14 -1.24 -0.36 0.00 -1.00 0.00 0.00 57.85 55.39 3gyu n ARG 572 Cb 0.11 -1.68 -0.14 0.00 -1.05 0.00 0.00 32.46 29.70 3gyu n ARG 572 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3gyu s LEU 573 N -1.19 3.30 0.19 2.89 2.96 -0.78 -4.80 118.68 121.25 3gyu s LEU 573 Ca 0.22 -0.64 -0.20 0.00 -0.22 0.00 0.00 54.13 53.30 3gyu s LEU 573 Cb 0.18 -1.76 0.13 0.00 0.50 0.00 0.00 46.19 45.23 3gyu s LEU 573 CO 0.06 -0.11 1.60 1.23 -1.32 0.00 0.00 176.35 177.81 3gyu h GLY 574 N 8.12 0.00 0.78 7.98 0.00 -1.87 -0.60 103.07 117.48 3gyu h GLY 574 Ca -0.35 0.36 0.14 0.00 0.00 0.00 0.00 47.33 47.47 3gyu h GLY 574 CO 0.59 -0.22 0.48 0.00 0.00 0.00 0.00 176.54 177.39 3gyu h ALA 575 N 1.09 2.10 -0.18 3.60 0.00 -1.94 -1.88 119.26 122.04 3gyu h ALA 575 Ca 0.23 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 3gyu h ALA 575 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gyu h ALA 575 CO -0.62 -0.29 -0.67 0.35 0.00 0.00 0.00 179.25 178.03 3gyu h PHE 576 N 0.40 0.92 0.00 0.00 3.57 -1.40 -2.51 116.94 117.93 3gyu h PHE 576 Ca 0.34 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3gyu h PHE 576 Cb 0.78 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.36 3gyu h PHE 576 CO -0.00 1.17 0.00 0.09 -2.23 0.00 0.00 178.31 177.34 3gyu n ASN 577 N -3.94 0.00 -0.12 0.41 5.03 -0.72 -2.30 115.26 113.62 3gyu n ASN 577 Ca -0.05 -0.93 0.13 0.00 0.87 0.00 0.00 54.58 54.60 3gyu n ASN 577 Cb 0.68 0.00 0.44 0.00 -1.02 0.00 0.00 39.78 39.88 3gyu n ASN 577 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gyu n GLU 578 N -0.76 0.50 -3.99 3.52 1.02 -0.94 -4.90 120.64 115.08 3gyu n GLU 578 Ca 0.08 -0.24 -0.27 0.00 -0.02 0.00 0.00 57.16 56.71 3gyu n GLU 578 Cb 0.04 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.92 3gyu n GLU 578 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3gyu s ILE 579 N -2.67 4.99 0.98 -3.67 1.09 -0.97 -4.99 121.20 115.97 3gyu s ILE 579 Ca 0.21 -0.78 -0.12 0.00 -1.10 0.00 0.00 60.65 58.87 3gyu s ILE 579 Cb 0.19 -3.53 0.18 0.00 -1.06 0.00 0.00 42.46 38.24 3gyu s ILE 579 CO 0.55 -0.04 1.08 -0.94 -0.10 0.00 0.00 174.94 175.49 3gyu s SER 580 N -3.01 2.65 0.12 3.58 1.04 -1.26 -4.76 113.70 112.06 3gyu s SER 580 Ca 0.33 1.53 -0.20 0.00 0.48 0.00 0.00 55.95 58.09 3gyu s SER 580 Cb -0.11 -2.20 -0.08 0.00 0.10 0.00 0.00 66.02 63.73 3gyu s SER 580 CO 0.26 -3.16 1.76 -0.33 0.98 0.00 0.00 173.24 172.75 3gyu h GLU 581 N -1.91 0.19 -0.29 4.02 4.39 -1.98 -0.02 114.58 118.97 3gyu h GLU 581 Ca -0.52 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.16 3gyu h GLU 581 Cb 1.30 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3gyu h GLU 581 CO 0.52 0.12 0.17 0.00 -1.16 0.00 0.00 179.01 178.67 3gyu h ALA 582 N 1.07 1.75 -0.12 3.43 0.00 -1.98 -2.12 119.26 121.29 3gyu h ALA 582 Ca 0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3gyu h ALA 582 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gyu h ALA 582 CO -0.03 0.22 -0.58 0.78 0.00 0.00 0.00 179.25 179.64 3gyu h GLY 583 N 0.45 0.44 0.97 0.00 0.00 -1.63 -2.75 103.07 100.54 3gyu h GLY 583 Ca 0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 3gyu h GLY 583 CO -0.02 0.47 0.17 0.50 0.00 0.00 0.00 176.54 177.66 3gyu h LYS 584 N 0.30 0.77 -0.29 4.80 1.57 -0.36 -2.12 116.57 121.26 3gyu h LYS 584 Ca -0.00 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 3gyu h LYS 584 Cb 1.10 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3gyu h LYS 584 CO 0.10 0.71 -0.02 0.35 -0.57 0.00 0.00 179.45 180.03 3gyu h PHE 585 N 0.68 0.57 -0.55 -1.35 3.57 -1.47 -1.39 116.94 117.00 3gyu h PHE 585 Ca 0.16 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3gyu h PHE 585 Cb 0.25 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3gyu h PHE 585 CO 0.01 0.67 0.27 1.03 -2.23 0.00 0.00 178.31 178.06 3gyu h SER 586 N 0.30 0.69 -0.27 0.41 0.87 -1.49 -0.41 113.55 113.65 3gyu h SER 586 Ca 0.08 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 3gyu h SER 586 Cb 0.46 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3gyu h SER 586 CO 0.02 0.59 -0.36 -0.07 -0.53 0.00 0.00 176.83 176.47 3gyu h LEU 587 N 0.77 0.79 0.17 2.23 3.38 -1.06 -2.15 115.31 119.44 3gyu h LEU 587 Ca 0.19 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3gyu h LEU 587 Cb 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3gyu h LEU 587 CO -0.03 1.13 -0.08 -0.07 0.09 0.00 0.00 178.44 179.49 3gyu h LEU 588 N 0.46 -0.19 -1.17 1.67 3.38 -0.78 -1.51 115.31 117.16 3gyu h LEU 588 Ca 0.03 -0.34 0.24 0.00 0.09 0.00 0.00 57.88 57.91 3gyu h LEU 588 Cb 0.95 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 3gyu h LEU 588 CO 0.09 0.35 0.63 0.50 0.09 0.00 0.00 178.44 180.09 3gyu h LYS 589 N -0.86 0.51 0.00 1.13 1.63 -1.21 -2.22 116.57 115.56 3gyu h LYS 589 Ca -0.02 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.59 3gyu h LYS 589 Cb 0.52 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 3gyu h LYS 589 CO 0.04 0.34 -0.86 0.78 -3.45 0.00 0.00 179.45 176.30 3gyu h GLY 590 N 0.53 0.00 -6.71 5.01 0.00 -1.33 -3.44 103.07 97.13 3gyu h GLY 590 Ca 0.61 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 47.23 3gyu h GLY 590 CO -0.37 0.00 0.08 0.61 0.00 0.00 0.00 176.54 176.85 3gyu n GLY 591 N 1.31 4.83 0.00 4.60 0.00 -0.58 -4.79 105.19 110.56 3gyu n GLY 591 Ca -0.01 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.31 3gyu n GLY 591 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gyu n ILE 593 N 1.33 0.00 0.00 -0.61 2.08 -1.26 -4.59 119.36 116.31 3gyu n ILE 593 Ca 0.27 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.58 3gyu n ILE 593 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.26 3gyu n ILE 593 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3gyu n GLU 594 N 0.00 0.00 0.00 0.38 1.02 -1.26 -1.38 120.64 119.40 3gyu n GLU 594 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3gyu n GLU 594 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3gyu n GLU 594 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gyu n LEU 596 N 0.35 0.00 -0.20 -4.62 4.77 -1.26 -1.49 117.00 114.55 3gyu n LEU 596 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3gyu n LEU 596 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3gyu n LEU 596 CO 0.00 0.00 0.84 0.74 -1.33 0.00 0.00 177.39 177.64 3gyu h THR 597 N 0.00 1.26 -0.30 -5.08 2.02 -1.62 0.12 112.91 109.31 3gyu h THR 597 Ca 0.00 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.14 3gyu h THR 597 Cb 0.00 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3gyu h THR 597 CO 0.00 0.38 0.14 0.40 0.37 0.00 0.00 175.52 176.81 3gyu h ILE 598 N 0.85 0.98 -0.05 3.11 2.04 -1.53 0.54 117.51 123.46 3gyu h ILE 598 Ca 0.16 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3gyu h ILE 598 Cb 0.49 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3gyu h ILE 598 CO 0.02 0.05 0.03 -0.09 0.00 0.00 0.00 178.15 178.17 3gyu h ARG 599 N 0.30 0.06 -0.13 2.37 9.65 -1.62 -0.89 114.38 124.13 3gyu h ARG 599 Ca 0.12 -0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.86 3gyu h ARG 599 Cb 0.05 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 3gyu h ARG 599 CO -0.09 0.04 -0.51 0.78 2.80 0.00 0.00 179.97 182.99 3gyu h GLY 600 N 0.06 0.39 0.97 2.80 0.00 0.13 -2.85 103.07 104.58 3gyu h GLY 600 Ca 0.02 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3gyu h GLY 600 CO -0.00 0.39 0.11 -2.08 0.00 0.00 0.00 176.54 174.96 3gyu h VAL 601 N 0.28 1.24 0.00 4.60 2.07 0.31 -2.72 116.25 122.04 3gyu h VAL 601 Ca 0.01 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 3gyu h VAL 601 Cb 1.00 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3gyu h VAL 601 CO 0.09 0.30 -0.18 0.71 0.02 0.00 0.00 177.57 178.51 3gyu h THR 602 N 0.67 0.34 -0.40 2.57 1.35 -1.30 -3.08 112.91 113.07 3gyu h THR 602 Ca 0.15 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 3gyu h THR 602 Cb 0.34 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3gyu h THR 602 CO 0.00 0.18 0.00 1.33 -0.25 0.00 0.00 175.52 176.78 3gyu n VAL 603 N -3.19 1.25 -3.42 6.82 0.24 -1.08 -5.00 118.33 113.95 3gyu n VAL 603 Ca 0.02 -1.14 -0.38 0.00 -2.04 0.00 0.00 64.34 60.80 3gyu n VAL 603 Cb 0.53 0.36 -0.06 0.00 -1.47 0.00 0.00 33.84 33.20 3gyu n VAL 603 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3gyu s PHE 604 N -1.33 3.69 -0.41 6.34 5.36 -1.03 -1.01 117.98 129.60 3gyu s PHE 604 Ca 0.31 1.01 -0.14 0.00 -0.96 0.00 0.00 56.93 57.15 3gyu s PHE 604 Cb 0.18 -2.39 0.03 0.00 -0.34 0.00 0.00 43.02 40.51 3gyu s PHE 604 CO 0.17 0.52 0.28 1.21 -1.46 0.00 0.00 175.22 175.94 3gyu s ASN 605 N -0.67 5.99 0.10 6.13 3.84 -0.51 -4.97 114.94 124.85 3gyu s ASN 605 Ca 0.25 -1.00 -0.24 0.00 0.21 0.00 0.00 52.86 52.08 3gyu s ASN 605 Cb -0.17 -2.12 -0.10 0.00 -0.55 0.00 0.00 41.25 38.31 3gyu s ASN 605 CO 0.13 -0.46 1.69 0.00 -2.79 0.00 0.00 177.10 175.68 3gyu h ALA 606 N 8.58 -0.16 -0.04 1.71 0.00 -1.97 -1.19 119.26 126.19 3gyu h ALA 606 Ca -0.26 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3gyu h ALA 606 Cb 1.11 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.08 3gyu h ALA 606 CO 0.73 -0.61 -0.37 -0.44 0.00 0.00 0.00 179.25 178.55 3gyu h ASP 607 N -0.20 0.40 0.27 0.00 3.45 -1.97 -3.13 116.42 115.24 3gyu h ASP 607 Ca 0.03 -0.70 -0.02 0.00 0.43 0.00 0.00 57.03 56.77 3gyu h ASP 607 Cb 0.23 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.88 3gyu h ASP 607 CO -0.07 1.04 -0.07 0.11 -1.57 0.00 0.00 179.24 178.67 3gyu h LYS 608 N -0.21 0.00 -5.87 3.56 1.57 -2.00 -3.47 116.57 110.15 3gyu h LYS 608 Ca -0.04 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.35 3gyu h LYS 608 Cb 1.06 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.49 3gyu h LYS 608 CO 0.08 0.07 -0.73 0.41 -0.57 0.00 0.00 179.45 178.71 3gyu n GLY 609 N -0.84 -0.46 3.27 3.86 0.00 -0.46 -4.98 105.19 105.58 3gyu n GLY 609 Ca -0.02 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3gyu n GLY 609 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gyu s VAL 610 N -3.36 0.11 -0.22 1.61 -7.23 -1.19 -1.38 120.40 108.74 3gyu s VAL 610 Ca 0.37 -1.12 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 3gyu s VAL 610 Cb -0.17 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 3gyu s VAL 610 CO 0.75 -0.48 0.16 0.26 -0.31 0.00 0.00 175.10 175.48 3gyu s TRP 611 N -3.88 3.36 -0.37 2.82 0.51 -0.55 -1.42 118.94 119.40 3gyu s TRP 611 Ca 0.08 0.29 -0.06 0.00 -2.12 0.00 0.00 56.10 54.29 3gyu s TRP 611 Cb 0.04 -2.24 0.06 0.00 -0.81 0.00 0.00 33.47 30.52 3gyu s TRP 611 CO -0.08 0.15 0.15 -0.65 -0.51 0.00 0.00 176.95 176.02 3gyu s GLN 612 N 0.79 2.49 0.13 4.98 -0.21 -0.18 -1.92 119.66 125.74 3gyu s GLN 612 Ca 0.08 -1.37 -0.28 0.00 0.02 0.00 0.00 55.36 53.81 3gyu s GLN 612 Cb -0.13 -3.54 -0.07 0.00 1.00 0.00 0.00 33.01 30.28 3gyu s GLN 612 CO 0.02 -0.81 0.88 -0.08 -2.12 0.00 0.00 175.29 173.18 3gyu s THR 613 N 1.35 4.46 0.14 -0.19 -1.32 -1.25 -4.78 115.64 114.06 3gyu s THR 613 Ca 0.01 1.90 0.35 0.00 -1.21 0.00 0.00 61.69 62.73 3gyu s THR 613 Cb -0.21 -4.24 0.40 0.00 -1.51 0.00 0.00 72.50 66.93 3gyu s THR 613 CO 0.01 0.40 2.02 -0.65 -2.21 0.00 0.00 174.62 174.18 3gyu h PRO 614 N 5.14 0.00 0.00 7.08 0.11 -1.96 -2.85 132.00 139.53 3gyu h PRO 614 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gyu h PRO 614 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gyu h PRO 614 CO 0.70 0.00 -0.00 1.33 -0.21 0.00 0.00 178.00 179.82 3gyu n VAL 615 N -3.07 0.22 -3.38 3.15 0.24 -1.26 -4.56 118.33 109.66 3gyu n VAL 615 Ca 0.00 -0.10 -0.17 0.00 -2.04 0.00 0.00 64.34 62.03 3gyu n VAL 615 Cb 0.28 -0.53 -0.09 0.00 -1.47 0.00 0.00 33.84 32.03 3gyu n VAL 615 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gyu s ASP 616 N -3.56 1.46 0.81 -1.34 -1.08 -1.07 -4.49 116.67 107.40 3gyu s ASP 616 Ca 0.13 -1.09 -0.12 0.00 -0.52 0.00 0.00 52.55 50.94 3gyu s ASP 616 Cb 0.17 0.53 0.08 0.00 -1.46 0.00 0.00 42.92 42.24 3gyu s ASP 616 CO 0.55 -0.34 1.16 -0.83 0.52 0.00 0.00 175.17 176.24 3gyu s GLY 617 N 1.98 1.98 -1.92 2.66 0.00 -1.26 -3.28 107.32 107.48 3gyu s GLY 617 Ca 0.12 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.51 3gyu s GLY 617 CO -0.21 1.07 0.00 1.42 0.00 0.00 0.00 173.10 175.38 3gyu n HIS 618 N -3.43 -0.47 -3.87 1.90 8.25 -1.26 -4.96 115.22 111.38 3gyu n HIS 618 Ca 0.12 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.31 3gyu n HIS 618 Cb 0.51 -3.60 -0.17 0.00 1.12 0.00 0.00 29.99 27.85 3gyu n HIS 618 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3gyu s SER 619 N -2.45 2.60 0.10 0.41 0.15 -1.20 -4.93 113.70 108.37 3gyu s SER 619 Ca 0.00 -0.55 0.05 0.00 0.70 0.00 0.00 55.95 56.14 3gyu s SER 619 Cb 0.00 -0.83 -0.03 0.00 -1.71 0.00 0.00 66.02 63.45 3gyu s SER 619 CO 0.00 -0.18 -0.12 -1.10 1.20 0.00 0.00 173.24 173.04 3gyu s GLN 620 N 1.70 0.89 -0.18 5.44 -0.21 -1.26 -3.81 119.66 122.22 3gyu s GLN 620 Ca 0.02 -1.12 -0.00 0.00 0.02 0.00 0.00 55.36 54.27 3gyu s GLN 620 Cb -0.15 -0.72 0.05 0.00 1.00 0.00 0.00 33.01 33.19 3gyu s GLN 620 CO -0.08 0.13 -0.05 0.42 -2.12 0.00 0.00 175.29 173.60 3gyu s ILE 621 N -2.03 1.14 0.23 1.08 1.01 -0.81 -4.93 121.20 116.89 3gyu s ILE 621 Ca 0.04 -0.72 -0.32 0.00 0.00 0.00 0.00 60.65 59.65 3gyu s ILE 621 Cb -0.05 -1.35 -0.13 0.00 0.01 0.00 0.00 42.46 40.93 3gyu s ILE 621 CO 0.02 0.07 1.56 -0.24 0.00 0.00 0.00 174.94 176.34 3gyu n SER 622 N 4.85 3.35 0.32 3.58 2.88 -1.26 -1.48 113.62 125.86 3gyu n SER 622 Ca -0.12 1.11 0.21 0.00 -1.33 0.00 0.00 58.87 58.74 3gyu n SER 622 Cb 0.47 -1.50 1.06 0.00 -0.75 0.00 0.00 64.21 63.49 3gyu n SER 622 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3gyu h PHE 623 N 5.23 0.00 -1.99 0.66 3.57 -1.58 -3.43 116.94 119.40 3gyu h PHE 623 Ca -0.45 0.00 -0.70 0.00 3.53 0.00 0.00 57.97 60.34 3gyu h PHE 623 Cb 1.24 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.83 3gyu h PHE 623 CO 0.60 0.01 1.32 -0.80 -2.23 0.00 0.00 178.31 177.20 3gyu s ASN 624 N -5.39 6.86 0.00 0.41 0.01 -1.26 -4.75 114.94 110.81 3gyu s ASN 624 Ca -0.03 -2.51 0.00 0.00 -0.71 0.00 0.00 52.86 49.60 3gyu s ASN 624 Cb 0.12 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.35 3gyu s ASN 624 CO 0.46 -0.96 0.00 0.49 -1.51 0.00 0.00 177.10 175.58 3gyu n PHE 626 N 6.53 0.00 0.41 2.20 3.01 -1.26 -4.26 117.46 124.09 3gyu n PHE 626 Ca 0.34 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.87 3gyu n PHE 626 Cb 0.46 -0.05 0.30 0.00 -0.01 0.00 0.00 39.48 40.17 3gyu n PHE 626 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3gyu n ASP 627 N 0.00 0.10 -0.30 4.37 10.43 -1.26 -1.24 116.55 128.65 3gyu n ASP 627 Ca 0.00 0.53 0.11 0.00 2.57 0.00 0.00 54.79 58.00 3gyu n ASP 627 Cb 0.00 -0.55 0.05 0.00 1.84 0.00 0.00 41.12 42.47 3gyu n ASP 627 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3gyu n LYS 628 N -1.61 0.77 -1.86 -1.24 4.76 -1.26 -4.99 118.16 112.72 3gyu n LYS 628 Ca 0.03 -0.60 -0.14 0.00 -2.87 0.00 0.00 58.31 54.73 3gyu n LYS 628 Cb 0.15 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 31.92 3gyu n LYS 628 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gyu n LEU 629 N -0.60 0.00 -4.63 -0.35 4.77 -0.37 -4.51 117.00 111.31 3gyu n LEU 629 Ca 0.08 -1.32 -0.63 0.00 -0.03 0.00 0.00 56.01 54.11 3gyu n LEU 629 Cb 0.40 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3gyu n LEU 629 CO 0.32 -0.78 1.34 -1.14 -1.33 0.00 0.00 177.39 175.79 3gyu n ARG 630 N -2.10 0.32 -0.14 3.23 0.63 0.19 -4.77 116.66 114.02 3gyu n ARG 630 Ca 0.10 0.11 -0.04 0.00 -0.92 0.00 0.00 57.85 57.11 3gyu n ARG 630 Cb 0.36 -1.69 0.05 0.00 0.45 0.00 0.00 32.46 31.63 3gyu n ARG 630 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3gyu h PRO 631 N 6.68 0.29 -0.02 -0.14 0.11 -1.86 0.16 132.00 137.22 3gyu h PRO 631 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3gyu h PRO 631 Cb 1.37 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3gyu h PRO 631 CO 1.00 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.58 3gyu n ASP 632 N -5.04 0.47 0.00 -2.05 3.85 -1.26 -3.86 116.55 108.66 3gyu n ASP 632 Ca 0.04 -1.29 0.00 0.00 -0.71 0.00 0.00 54.79 52.83 3gyu n ASP 632 Cb 0.19 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 3gyu n ASP 632 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gyu n ILE 633 N -0.57 0.00 -0.28 2.12 3.06 -1.03 -4.80 119.36 117.86 3gyu n ILE 633 Ca 0.19 0.00 0.16 0.00 -2.50 0.00 0.00 62.75 60.61 3gyu n ILE 633 Cb 0.17 0.14 0.44 0.00 0.54 0.00 0.00 39.64 40.93 3gyu n ILE 633 CO 0.00 0.00 0.00 0.07 -2.50 0.00 0.00 176.55 174.12 3gyu h LYS 634 N 0.00 0.53 -0.16 9.51 2.10 -0.79 -2.32 116.57 125.44 3gyu h LYS 634 Ca 0.00 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.58 3gyu h LYS 634 Cb 0.07 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 31.28 3gyu h LYS 634 CO 0.00 0.35 -0.05 -0.44 -2.00 0.00 0.00 179.45 177.31 3gyu h ASP 635 N 0.54 0.32 -0.98 7.07 3.32 -1.86 -2.09 116.42 122.75 3gyu h ASP 635 Ca 0.50 -0.39 0.05 0.00 0.02 0.00 0.00 57.03 57.21 3gyu h ASP 635 Cb 1.03 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 3gyu h ASP 635 CO -0.23 0.64 0.63 0.74 -1.72 0.00 0.00 179.24 179.30 3gyu h THR 636 N 0.01 1.12 -0.00 0.35 2.02 -1.76 -1.89 112.91 112.75 3gyu h THR 636 Ca 0.04 -0.41 -0.17 0.00 0.77 0.00 0.00 66.41 66.64 3gyu h THR 636 Cb 0.50 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3gyu h THR 636 CO 0.02 0.22 -0.79 1.56 0.37 0.00 0.00 175.52 176.89 3gyu h GLN 637 N 1.18 0.09 -0.19 6.66 1.08 -1.37 0.39 115.11 122.95 3gyu h GLN 637 Ca 0.41 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.49 3gyu h GLN 637 Cb 0.10 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3gyu h GLN 637 CO -0.15 0.83 0.02 0.87 -0.95 0.00 0.00 178.83 179.46 3gyu h LYS 638 N 0.05 0.33 -0.38 1.46 1.57 -1.18 -2.03 116.57 116.39 3gyu h LYS 638 Ca -0.02 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3gyu h LYS 638 Cb 1.39 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 3gyu h LYS 638 CO 0.11 0.49 0.04 -0.22 -0.57 0.00 0.00 179.45 179.30 3gyu h LYS 639 N 0.11 0.65 0.00 3.15 3.64 -1.24 -2.69 116.57 120.20 3gyu h LYS 639 Ca 0.06 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3gyu h LYS 639 Cb 0.33 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3gyu h LYS 639 CO 0.01 0.72 -0.12 0.78 -2.27 0.00 0.00 179.45 178.57 3gyu h GLY 640 N 0.48 0.00 0.57 5.01 0.00 -0.90 -1.51 103.07 106.73 3gyu h GLY 640 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 3gyu h GLY 640 CO 0.01 0.00 -0.37 -2.75 0.00 0.00 0.00 176.54 173.43 3gyu h PHE 641 N 0.00 0.38 0.00 5.60 3.57 -1.14 -2.71 116.94 122.64 3gyu h PHE 641 Ca -0.00 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.26 3gyu h PHE 641 Cb 0.24 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3gyu h PHE 641 CO 0.00 1.01 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.86 3gyu h LEU 642 N -0.36 0.00 0.06 0.59 3.38 -1.28 -1.62 115.31 116.09 3gyu h LEU 642 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gyu h LEU 642 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3gyu h LEU 642 CO 0.07 0.17 -0.03 -0.74 0.09 0.00 0.00 178.44 178.00 3gyu h HIS 643 N 0.00 -0.08 -0.63 1.13 2.76 -1.28 -0.78 115.15 116.27 3gyu h HIS 643 Ca -0.00 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3gyu h HIS 643 Cb 0.30 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.26 3gyu h HIS 643 CO 0.00 0.19 0.32 0.35 -1.30 0.00 0.00 177.93 177.50 3gyu h PHE 644 N -0.35 0.89 -0.41 5.26 3.57 -1.13 -1.80 116.94 122.97 3gyu h PHE 644 Ca -0.01 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3gyu h PHE 644 Cb 0.31 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3gyu h PHE 644 CO 0.02 0.66 0.22 0.35 -2.23 0.00 0.00 178.31 177.32 3gyu h PHE 645 N 0.86 0.41 0.00 0.41 3.57 -1.27 -2.18 116.94 118.74 3gyu h PHE 645 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3gyu h PHE 645 Cb 0.08 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3gyu h PHE 645 CO -0.00 0.23 0.00 -0.91 -2.23 0.00 0.00 178.31 175.39 3gyu h ASN 646 N 0.45 0.00 1.30 0.41 -0.26 -0.31 -1.74 115.58 115.43 3gyu h ASN 646 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 3gyu h ASN 646 Cb 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 3gyu h ASN 646 CO -0.10 0.00 -0.27 -0.07 -1.06 0.00 0.00 177.43 175.93 3gyu h LEU 647 N 0.00 0.00 -7.86 1.61 3.38 -0.79 -3.41 115.31 108.24 3gyu h LEU 647 Ca 0.00 -0.07 -0.78 0.00 0.09 0.00 0.00 57.88 57.12 3gyu h LEU 647 Cb 0.48 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.96 3gyu h LEU 647 CO 0.00 0.04 0.02 -0.76 0.09 0.00 0.00 178.44 177.83 3gyu s LEU 648 N -4.65 6.59 1.00 1.67 1.43 -0.65 -4.83 118.68 119.24 3gyu s LEU 648 Ca 0.08 -2.55 -0.17 0.00 -1.03 0.00 0.00 54.13 50.45 3gyu s LEU 648 Cb 0.12 -2.19 -0.15 0.00 0.03 0.00 0.00 46.19 44.00 3gyu s LEU 648 CO 0.66 -0.61 -0.83 1.41 0.23 0.00 0.00 176.35 177.21 3gyu n HIS 649 N 4.15 -5.07 0.29 0.29 8.25 -1.26 -4.51 115.22 117.36 3gyu n HIS 649 Ca 0.09 -0.01 -0.16 0.00 -0.26 0.00 0.00 57.72 57.37 3gyu n HIS 649 Cb 0.45 -1.43 -0.08 0.00 1.12 0.00 0.00 29.99 30.05 3gyu n HIS 649 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3gyu h SER 650 N -1.01 -0.65 -0.75 0.41 0.87 -1.96 -0.32 113.55 110.14 3gyu h SER 650 Ca -0.44 0.03 0.16 0.00 -1.23 0.00 0.00 61.79 60.31 3gyu h SER 650 Cb 1.30 0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 63.39 3gyu h SER 650 CO 0.23 -0.44 0.51 -2.24 -0.53 0.00 0.00 176.83 174.36 3gyu h ASP 651 N -0.71 0.35 0.30 6.23 -0.00 -1.99 0.20 116.42 120.80 3gyu h ASP 651 Ca -0.06 0.02 -0.33 0.00 -0.00 0.00 0.00 57.03 56.66 3gyu h ASP 651 Cb 0.56 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.82 3gyu h ASP 651 CO 0.09 0.18 -1.79 1.62 -0.00 0.00 0.00 179.24 179.34 3gyu h VAL 652 N 0.37 0.85 0.00 4.15 3.04 -1.84 -3.19 116.25 119.63 3gyu h VAL 652 Ca 0.37 -2.56 -0.07 0.00 -1.01 0.00 0.00 66.70 63.44 3gyu h VAL 652 Cb 0.92 2.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.78 3gyu h VAL 652 CO -0.11 0.79 -0.31 -0.09 -1.01 0.00 0.00 177.57 176.83 3gyu h ARG 653 N 0.06 0.00 0.00 4.17 2.43 0.04 -2.02 114.38 119.06 3gyu h ARG 653 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3gyu h ARG 653 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 3gyu h ARG 653 CO 0.12 0.31 -0.17 0.87 -1.51 0.00 0.00 179.97 179.59 3gyu h LYS 654 N 0.00 0.00 -6.01 0.20 1.79 -0.73 -3.44 116.57 108.38 3gyu h LYS 654 Ca -0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 3gyu h LYS 654 Cb 0.56 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.10 3gyu h LYS 654 CO 0.04 0.00 0.66 1.21 -1.08 0.00 0.00 179.45 180.28 3gyu s ASN 655 N -5.19 6.36 0.17 0.86 2.47 -0.76 -4.91 114.94 113.94 3gyu s ASN 655 Ca 0.08 -0.26 -0.21 0.00 0.42 0.00 0.00 52.86 52.89 3gyu s ASN 655 Cb 0.09 -2.46 0.08 0.00 -1.45 0.00 0.00 41.25 37.51 3gyu s ASN 655 CO 0.66 -1.29 1.62 0.44 -3.72 0.00 0.00 177.10 174.81 3gyu h ASP 656 N 9.37 -0.84 -0.26 -4.21 5.19 -1.84 -1.58 116.42 122.26 3gyu h ASP 656 Ca -0.26 0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 3gyu h ASP 656 Cb 1.07 0.42 -0.01 0.00 0.18 0.00 0.00 39.33 40.99 3gyu h ASP 656 CO 1.11 -0.27 0.08 -0.07 -3.12 0.00 0.00 179.24 176.97 3gyu h LEU 657 N -0.19 0.37 -0.63 1.55 3.38 -1.95 0.23 115.31 118.06 3gyu h LEU 657 Ca 0.18 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3gyu h LEU 657 Cb 0.48 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 3gyu h LEU 657 CO -0.49 0.47 0.20 0.00 0.09 0.00 0.00 178.44 178.70 3gyu h ALA 658 N 0.92 0.80 0.00 1.53 0.00 -1.75 0.12 119.26 120.88 3gyu h ALA 658 Ca 0.08 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 3gyu h ALA 658 Cb 0.23 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3gyu h ALA 658 CO -0.00 -0.25 -0.83 -0.84 0.00 0.00 0.00 179.25 177.33 3gyu h ILE 659 N 0.35 1.51 -0.62 0.00 -0.00 -1.08 -2.59 117.51 115.06 3gyu h ILE 659 Ca 0.33 -2.91 -0.05 0.00 -0.00 0.00 0.00 64.86 62.23 3gyu h ILE 659 Cb 0.47 2.61 -0.03 0.00 -0.00 0.00 0.00 36.82 39.87 3gyu h ILE 659 CO -0.37 0.81 0.20 0.44 -0.00 0.00 0.00 178.15 179.23 3gyu h ASP 660 N 0.00 0.87 -0.27 2.16 3.45 0.05 0.13 116.42 122.82 3gyu h ASP 660 Ca -0.01 -0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.28 3gyu h ASP 660 Cb 1.54 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 40.08 3gyu h ASP 660 CO 0.11 0.81 0.03 0.40 -1.57 0.00 0.00 179.24 179.02 3gyu h ILE 661 N 0.91 1.24 -0.72 0.35 1.08 -0.47 -2.69 117.51 117.21 3gyu h ILE 661 Ca 0.21 -0.81 -0.01 0.00 -0.39 0.00 0.00 64.86 63.85 3gyu h ILE 661 Cb 0.25 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 3gyu h ILE 661 CO -0.01 0.26 0.40 0.16 -0.69 0.00 0.00 178.15 178.27 3gyu h ILE 662 N 0.25 1.21 -0.49 -0.67 3.07 -1.20 -1.56 117.51 118.12 3gyu h ILE 662 Ca 0.08 -0.52 0.04 0.00 1.55 0.00 0.00 64.86 66.02 3gyu h ILE 662 Cb 0.35 0.23 -0.03 0.00 -0.27 0.00 0.00 36.82 37.11 3gyu h ILE 662 CO 0.01 0.23 0.33 0.58 -1.05 0.00 0.00 178.15 178.25 3gyu h VAL 663 N 1.00 1.02 0.00 0.16 2.07 -0.85 -1.84 116.25 117.81 3gyu h VAL 663 Ca 0.26 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3gyu h VAL 663 Cb 0.01 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3gyu h VAL 663 CO -0.04 0.09 0.00 0.18 0.02 0.00 0.00 177.57 177.82 3gyu n LEU 664 N -4.48 4.87 0.00 2.57 4.77 -0.59 -1.98 117.00 122.17 3gyu n LEU 664 Ca 0.06 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.84 3gyu n LEU 664 Cb 0.19 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 3gyu n LEU 664 CO 0.35 0.92 0.00 1.33 -1.33 0.00 0.00 177.39 178.65 3gyu n VAL 666 N 1.48 0.00 -0.06 4.08 0.24 -0.69 -1.86 118.33 121.53 3gyu n VAL 666 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 3gyu n VAL 666 Cb 0.47 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 3gyu n VAL 666 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3gyu h LEU 667 N 0.00 0.28 -6.67 1.34 5.85 -1.64 -3.24 115.31 111.22 3gyu h LEU 667 Ca 0.00 -0.01 -0.75 0.00 0.84 0.00 0.00 57.88 57.95 3gyu h LEU 667 Cb 0.00 -0.07 -0.16 0.00 0.37 0.00 0.00 40.66 40.80 3gyu h LEU 667 CO 0.00 0.20 1.88 0.49 -0.34 0.00 0.00 178.44 180.67 3gyu n PHE 668 N -4.92 3.27 -3.56 1.25 3.01 -0.78 -4.88 117.46 110.85 3gyu n PHE 668 Ca -0.03 -2.88 -0.41 0.00 1.01 0.00 0.00 57.45 55.14 3gyu n PHE 668 Cb 0.03 -1.97 -0.11 0.00 -0.01 0.00 0.00 39.48 37.42 3gyu n PHE 668 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3gyu s ASP 669 N 1.13 5.85 0.00 4.37 3.68 -1.23 -4.61 116.67 125.86 3gyu s ASP 669 Ca 0.40 -0.82 0.09 0.00 2.13 0.00 0.00 52.55 54.35 3gyu s ASP 669 Cb 0.07 -2.07 0.40 0.00 -1.45 0.00 0.00 42.92 39.87 3gyu s ASP 669 CO 0.01 -0.35 1.29 -1.54 0.13 0.00 0.00 175.17 174.71 3gyu n SER 670 N 5.05 0.00 -1.23 -0.34 3.41 -1.26 -2.84 113.62 116.42 3gyu n SER 670 Ca -0.12 0.50 0.08 0.00 -0.26 0.00 0.00 58.87 59.07 3gyu n SER 670 Cb 0.47 -0.50 0.29 0.00 -0.26 0.00 0.00 64.21 64.22 3gyu n SER 670 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gyu n LYS 671 N -1.50 3.36 -2.24 4.33 4.76 -1.26 -4.91 118.16 120.71 3gyu n LYS 671 Ca 0.02 -2.68 -0.36 0.00 -2.87 0.00 0.00 58.31 52.42 3gyu n LYS 671 Cb 0.11 -1.73 -0.00 0.00 -1.84 0.00 0.00 35.03 31.56 3gyu n LYS 671 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3gyu s ARG 672 N -1.82 3.59 0.16 1.97 1.81 -1.13 -4.92 118.95 118.62 3gyu s ARG 672 Ca 0.43 1.73 -0.31 0.00 -1.72 0.00 0.00 55.73 55.86 3gyu s ARG 672 Cb 0.28 -2.26 -0.11 0.00 -0.45 0.00 0.00 34.95 32.41 3gyu s ARG 672 CO 0.20 -0.68 1.73 -2.00 -0.68 0.00 0.00 175.30 173.87 3gyu s GLU 673 N -2.91 4.15 0.00 3.54 2.56 -1.26 -2.66 118.70 122.12 3gyu s GLU 673 Ca 0.67 2.54 0.00 0.00 0.00 0.00 0.00 54.97 58.19 3gyu s GLU 673 Cb -0.27 -3.30 0.00 0.00 2.00 0.00 0.00 34.13 32.55 3gyu s GLU 673 CO 0.32 -0.76 0.00 0.41 -0.56 0.00 0.00 175.26 174.67 3gyu n GLY 674 N 4.03 2.62 3.58 -1.50 0.00 -1.26 -4.76 105.19 107.90 3gyu n GLY 674 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3gyu n GLY 674 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gyu s LEU 675 N 0.00 3.36 -0.08 0.99 1.43 -1.09 -4.62 118.68 118.67 3gyu s LEU 675 Ca 0.00 -1.94 0.16 0.00 -1.03 0.00 0.00 54.13 51.33 3gyu s LEU 675 Cb 0.00 -2.58 -0.23 0.00 0.03 0.00 0.00 46.19 43.41 3gyu s LEU 675 CO 0.00 -2.32 0.45 1.33 0.23 0.00 0.00 176.35 176.04 3gyu n VAL 676 N 7.26 1.30 -1.81 -1.59 0.24 -1.26 -4.79 118.33 117.68 3gyu n VAL 676 Ca 0.46 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 3gyu n VAL 676 Cb 0.46 -0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 32.14 3gyu n VAL 676 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3gyu s SER 677 N -5.66 6.52 0.35 -1.34 0.15 -1.26 -4.86 113.70 107.60 3gyu s SER 677 Ca -0.07 2.57 0.05 0.00 0.70 0.00 0.00 55.95 59.20 3gyu s SER 677 Cb 0.08 -2.55 0.70 0.00 -1.71 0.00 0.00 66.02 62.54 3gyu s SER 677 CO 0.83 -0.98 1.95 -0.61 1.20 0.00 0.00 173.24 175.64 3gyu h GLN 678 N 9.34 0.78 0.28 5.44 4.15 -1.99 -0.50 115.11 132.62 3gyu h GLN 678 Ca -0.45 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3gyu h GLN 678 Cb 1.21 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.73 3gyu h GLN 678 CO 0.94 0.52 -0.14 0.37 -1.93 0.00 0.00 178.83 178.59 3gyu h GLN 679 N 0.80 -0.36 -0.49 1.69 4.15 -1.99 -1.06 115.11 117.84 3gyu h GLN 679 Ca 0.32 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.82 3gyu h GLN 679 Cb 0.24 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 3gyu h GLN 679 CO -0.11 -0.24 0.22 -0.44 -1.93 0.00 0.00 178.83 176.34 3gyu h ASP 680 N -0.38 0.29 -0.14 -0.69 3.45 -1.81 -1.17 116.42 115.96 3gyu h ASP 680 Ca -0.04 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3gyu h ASP 680 Cb 0.29 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 3gyu h ASP 680 CO 0.06 0.20 0.07 0.50 -1.57 0.00 0.00 179.24 178.51 3gyu h LYS 681 N 0.44 0.21 -0.03 3.56 3.64 -1.01 0.59 116.57 123.97 3gyu h LYS 681 Ca 0.23 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 3gyu h LYS 681 Cb 0.18 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 3gyu h LYS 681 CO -0.19 0.25 -0.23 0.93 -2.27 0.00 0.00 179.45 177.94 3gyu h GLU 682 N 0.11 -0.33 -0.67 1.90 3.07 -0.89 -0.83 114.58 116.95 3gyu h GLU 682 Ca 0.05 0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 3gyu h GLU 682 Cb 0.11 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 3gyu h GLU 682 CO -0.01 -0.22 0.11 1.79 -1.40 0.00 0.00 179.01 179.29 3gyu h THR 683 N -0.34 1.26 -0.90 1.13 1.35 -1.04 -1.04 112.91 113.33 3gyu h THR 683 Ca 0.07 -1.03 -0.01 0.00 -0.55 0.00 0.00 66.41 64.89 3gyu h THR 683 Cb 0.44 0.64 -0.04 0.00 -1.73 0.00 0.00 68.15 67.45 3gyu h THR 683 CO -0.23 0.39 0.53 0.58 -0.25 0.00 0.00 175.52 176.54 3gyu h VAL 684 N 1.02 1.25 -0.46 6.82 2.07 -0.83 -0.91 116.25 125.21 3gyu h VAL 684 Ca 0.20 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3gyu h VAL 684 Cb 0.43 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3gyu h VAL 684 CO 0.01 0.27 0.10 -0.33 0.02 0.00 0.00 177.57 177.64 3gyu h GLU 685 N 1.24 0.74 -0.38 1.57 5.08 -0.65 -0.79 114.58 121.39 3gyu h GLU 685 Ca 0.32 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3gyu h GLU 685 Cb -0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3gyu h GLU 685 CO -0.06 0.74 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.31 3gyu h LYS 686 N 0.61 0.79 -0.98 2.33 3.64 -0.91 -1.52 116.57 120.54 3gyu h LYS 686 Ca 0.14 -0.33 0.03 0.00 -1.27 0.00 0.00 60.65 59.22 3gyu h LYS 686 Cb 0.34 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 3gyu h LYS 686 CO 0.00 0.95 0.64 -0.07 -2.27 0.00 0.00 179.45 178.71 3gyu h LEU 687 N 0.59 1.09 -0.30 5.20 3.38 -1.06 -1.10 115.31 123.10 3gyu h LEU 687 Ca 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3gyu h LEU 687 Cb 0.71 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3gyu h LEU 687 CO 0.05 0.76 0.02 -0.74 0.09 0.00 0.00 178.44 178.62 3gyu h HIS 688 N 1.27 0.56 0.05 1.13 2.76 -0.92 -1.40 115.15 118.61 3gyu h HIS 688 Ca 0.38 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.48 3gyu h HIS 688 Cb -0.05 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 3gyu h HIS 688 CO -0.00 0.64 -0.17 -0.09 -1.30 0.00 0.00 177.93 177.00 3gyu h ARG 689 N 0.32 -0.30 -0.83 5.26 2.43 -0.89 -2.01 114.38 118.36 3gyu h ARG 689 Ca 0.09 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3gyu h ARG 689 Cb 0.40 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 3gyu h ARG 689 CO 0.01 -0.20 0.50 -0.91 -1.51 0.00 0.00 179.97 177.86 3gyu h ASN 690 N -0.31 0.99 -0.38 -3.80 -0.26 -1.10 -1.45 115.58 109.26 3gyu h ASN 690 Ca 0.04 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 3gyu h ASN 690 Cb 0.35 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 3gyu h ASN 690 CO -0.13 0.77 0.22 1.88 -1.06 0.00 0.00 177.43 179.11 3gyu h TYR 691 N 1.13 0.51 -0.54 1.19 0.99 -1.22 -0.69 116.97 118.34 3gyu h TYR 691 Ca 0.30 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 61.05 3gyu h TYR 691 Cb -0.04 -0.17 -0.04 0.00 1.00 0.00 0.00 36.73 37.48 3gyu h TYR 691 CO -0.00 0.39 0.31 1.49 -0.00 0.00 0.00 178.16 180.34 3gyu h GLU 692 N 0.49 0.59 -0.07 4.88 4.81 -1.05 -0.75 114.58 123.49 3gyu h GLU 692 Ca 0.13 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3gyu h GLU 692 Cb 0.03 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3gyu h GLU 692 CO -0.02 0.39 -0.01 0.77 -0.73 0.00 0.00 179.01 179.41 3gyu h SER 693 N 0.61 -0.04 -0.33 1.04 0.02 -1.07 -0.50 113.55 113.28 3gyu h SER 693 Ca 0.23 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.27 3gyu h SER 693 Cb 0.06 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 3gyu h SER 693 CO -0.12 -0.01 -0.22 0.25 -1.14 0.00 0.00 176.83 175.59 3gyu h LEU 694 N 0.02 -0.74 -0.82 5.07 5.85 -0.86 -0.18 115.31 123.66 3gyu h LEU 694 Ca 0.03 0.15 0.11 0.00 0.84 0.00 0.00 57.88 59.01 3gyu h LEU 694 Cb 0.04 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 3gyu h LEU 694 CO -0.06 -0.25 0.45 0.25 -0.34 0.00 0.00 178.44 178.48 3gyu h LEU 695 N -0.18 0.61 0.07 2.25 5.85 -0.79 0.28 115.31 123.39 3gyu h LEU 695 Ca 0.17 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3gyu h LEU 695 Cb 0.44 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3gyu h LEU 695 CO -0.44 0.33 -0.19 -0.74 -0.34 0.00 0.00 178.44 177.06 3gyu h HIS 696 N 0.73 -0.51 -0.17 1.25 2.76 0.56 0.11 115.15 119.88 3gyu h HIS 696 Ca 0.41 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.44 3gyu h HIS 696 Cb 0.44 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 3gyu h HIS 696 CO -0.07 -0.28 -0.52 0.00 -1.30 0.00 0.00 177.93 175.76 3gyu h ARG 697 N -0.35 0.49 -0.27 5.26 3.08 -0.53 -2.77 114.38 119.28 3gyu h ARG 697 Ca 0.04 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.81 3gyu h ARG 697 Cb 0.39 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3gyu h ARG 697 CO -0.13 0.89 0.16 -0.92 -1.07 0.00 0.00 179.97 178.89 3gyu h TYR 698 N 0.38 0.30 -0.75 3.04 3.20 -0.08 -1.06 116.97 122.01 3gyu h TYR 698 Ca 0.01 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.98 3gyu h TYR 698 Cb 1.04 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.14 3gyu h TYR 698 CO 0.04 0.18 0.41 -0.07 -1.64 0.00 0.00 178.16 177.08 3gyu h LEU 699 N 0.33 0.57 -0.80 2.82 4.07 -0.67 -2.32 115.31 119.32 3gyu h LEU 699 Ca 0.11 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 58.01 3gyu h LEU 699 Cb -0.01 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 3gyu h LEU 699 CO -0.05 0.34 -0.22 1.88 -1.08 0.00 0.00 178.44 179.31 3gyu h TYR 700 N 0.70 0.75 0.00 1.13 -1.99 -1.23 -1.71 116.97 114.62 3gyu h TYR 700 Ca 0.36 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 60.88 3gyu h TYR 700 Cb 0.32 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 3gyu h TYR 700 CO -0.08 0.83 -0.23 0.66 -0.00 0.00 0.00 178.16 179.34 3gyu h SER 701 N 0.58 0.00 0.00 3.88 4.64 -0.66 -3.12 113.55 118.87 3gyu h SER 701 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3gyu h SER 701 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3gyu h SER 701 CO 0.05 0.23 -1.55 2.30 -0.87 0.00 0.00 176.83 176.99 3gyu n ILE 702 N -3.53 0.00 -2.74 0.95 -5.35 -0.99 -4.81 119.36 102.89 3gyu n ILE 702 Ca -0.01 -0.33 -0.04 0.00 -0.27 0.00 0.00 62.75 62.11 3gyu n ILE 702 Cb 0.38 0.33 0.02 0.00 -1.74 0.00 0.00 39.64 38.63 3gyu n ILE 702 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3gyu s HIS 703 N -3.08 -1.16 0.36 4.28 5.04 -0.65 -5.03 115.29 115.05 3gyu s HIS 703 Ca -0.03 -0.39 0.04 0.00 -1.54 0.00 0.00 55.06 53.14 3gyu s HIS 703 Cb 0.12 0.23 0.68 0.00 0.04 0.00 0.00 32.58 33.64 3gyu s HIS 703 CO 0.73 -0.91 1.99 1.57 -2.34 0.00 0.00 174.74 175.78 3gyu h LYS 704 N 4.77 0.71 -0.87 2.88 2.10 -1.72 -3.10 116.57 121.34 3gyu h LYS 704 Ca 0.04 -0.06 0.11 0.00 -2.00 0.00 0.00 60.65 58.74 3gyu h LYS 704 Cb 1.13 -0.15 -0.13 0.00 -0.90 0.00 0.00 32.23 32.19 3gyu h LYS 704 CO -0.03 0.51 -0.40 -1.91 -2.00 0.00 0.00 179.45 175.62 3gyu n GLU 705 N -4.42 -0.27 -3.06 0.07 2.13 -1.26 -2.79 120.64 111.05 3gyu n GLU 705 Ca 0.05 1.33 -0.17 0.00 0.66 0.00 0.00 57.16 59.02 3gyu n GLU 705 Cb 0.09 -1.96 -0.02 0.00 0.27 0.00 0.00 31.44 29.82 3gyu n GLU 705 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 3gyu n GLU 706 N -5.21 1.18 -0.03 5.31 -0.00 -1.24 -4.88 120.64 115.78 3gyu n GLU 706 Ca 0.06 -3.46 -0.10 0.00 -0.00 0.00 0.00 57.16 53.66 3gyu n GLU 706 Cb 0.30 -1.66 0.05 0.00 -0.00 0.00 0.00 31.44 30.14 3gyu n GLU 706 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gyu h ALA 707 N 2.99 0.71 -0.12 -1.84 0.00 -1.44 -3.07 119.26 116.50 3gyu h ALA 707 Ca 0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3gyu h ALA 707 Cb 0.98 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3gyu h ALA 707 CO 0.53 0.67 -0.04 1.49 0.00 0.00 0.00 179.25 181.89 3gyu h GLU 708 N 0.53 0.24 -0.04 0.00 4.57 -1.90 0.66 114.58 118.64 3gyu h GLU 708 Ca 0.03 -0.10 -0.13 0.00 -1.18 0.00 0.00 59.36 57.98 3gyu h GLU 708 Cb 1.01 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 3gyu h GLU 708 CO 0.09 0.56 -0.59 -0.56 -1.18 0.00 0.00 179.01 177.33 3gyu h GLN 709 N -0.09 0.14 -0.32 1.92 -0.00 -1.95 -1.24 115.11 113.57 3gyu h GLN 709 Ca 0.03 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 3gyu h GLN 709 Cb 0.47 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.95 3gyu h GLN 709 CO 0.01 0.69 0.13 -0.09 -0.00 0.00 0.00 178.83 179.57 3gyu h ARG 710 N 0.10 0.48 -0.15 0.06 2.43 -1.42 -2.50 114.38 113.38 3gyu h ARG 710 Ca -0.00 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 3gyu h ARG 710 Cb 1.07 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3gyu h ARG 710 CO 0.08 0.49 -0.27 0.35 -1.51 0.00 0.00 179.97 179.11 3gyu h PHE 711 N 0.37 0.30 0.00 2.20 3.57 -0.68 -3.00 116.94 119.70 3gyu h PHE 711 Ca 0.11 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3gyu h PHE 711 Cb 0.19 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3gyu h PHE 711 CO -0.00 0.52 0.00 0.00 -2.23 0.00 0.00 178.31 176.60 3gyu n ALA 712 N -2.48 2.27 0.05 2.41 0.00 -0.48 -3.51 120.51 118.76 3gyu n ALA 712 Ca -0.01 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.47 3gyu n ALA 712 Cb 0.38 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 3gyu n ALA 712 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gyu n SER 713 N -2.20 0.64 0.16 0.00 3.41 -0.95 -4.34 113.62 110.33 3gyu n SER 713 Ca 0.06 0.26 0.02 0.00 -0.26 0.00 0.00 58.87 58.94 3gyu n SER 713 Cb 0.42 0.69 0.35 0.00 -0.26 0.00 0.00 64.21 65.40 3gyu n SER 713 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3gyu h ILE 714 N 0.00 1.24 0.00 -1.33 -0.00 -1.59 -1.70 117.51 114.13 3gyu h ILE 714 Ca -0.09 -1.14 -0.05 0.00 -0.00 0.00 0.00 64.86 63.58 3gyu h ILE 714 Cb 1.27 1.54 -0.01 0.00 -0.00 0.00 0.00 36.82 39.62 3gyu h ILE 714 CO 0.02 0.33 -0.26 -0.65 -0.00 0.00 0.00 178.15 177.59 3gyu h PRO 715 N 0.09 0.00 -0.47 0.16 0.11 -1.78 0.36 132.00 130.47 3gyu h PRO 715 Ca 0.01 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.00 3gyu h PRO 715 Cb 0.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3gyu h PRO 715 CO 0.04 0.26 -0.19 -0.22 -0.21 0.00 0.00 178.00 177.68 3gyu h LYS 716 N 0.00 0.94 -0.12 1.05 3.64 -1.57 -2.64 116.57 117.88 3gyu h LYS 716 Ca -0.00 -0.38 -0.08 0.00 -1.27 0.00 0.00 60.65 58.92 3gyu h LYS 716 Cb 0.47 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3gyu h LYS 716 CO 0.03 1.04 -0.29 0.00 -2.27 0.00 0.00 179.45 177.96 3gyu h ALA 717 N 0.96 1.30 0.00 5.00 0.00 -0.79 -2.26 119.26 123.47 3gyu h ALA 717 Ca 0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3gyu h ALA 717 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3gyu h ALA 717 CO 0.06 0.48 -0.32 -0.07 0.00 0.00 0.00 179.25 179.40 3gyu h LEU 718 N 0.19 0.00 -0.16 0.00 4.07 -0.81 -0.90 115.31 117.70 3gyu h LEU 718 Ca 0.03 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.82 3gyu h LEU 718 Cb 0.62 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.37 3gyu h LEU 718 CO 0.04 0.32 -0.56 0.58 -1.08 0.00 0.00 178.44 177.75 3gyu h VAL 719 N 0.00 1.32 -0.75 1.22 2.07 -1.06 -2.23 116.25 116.83 3gyu h VAL 719 Ca -0.00 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.68 3gyu h VAL 719 Cb 0.84 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 3gyu h VAL 719 CO 0.04 0.56 0.36 0.00 0.02 0.00 0.00 177.57 178.55 3gyu h ALA 720 N 0.54 1.22 -0.47 1.67 0.00 -1.11 -2.70 119.26 118.42 3gyu h ALA 720 Ca -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3gyu h ALA 720 Cb 1.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3gyu h ALA 720 CO 0.12 0.60 0.24 1.25 0.00 0.00 0.00 179.25 181.45 3gyu h LEU 721 N 1.06 0.60 -0.12 0.00 5.85 -1.07 -0.76 115.31 120.88 3gyu h LEU 721 Ca 0.26 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3gyu h LEU 721 Cb 0.11 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3gyu h LEU 721 CO -0.03 0.54 0.02 -0.09 -0.34 0.00 0.00 178.44 178.53 3gyu h ARG 722 N 0.61 0.06 0.05 1.25 1.12 -1.26 -1.11 114.38 115.10 3gyu h ARG 722 Ca 0.16 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.03 3gyu h ARG 722 Cb 0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 3gyu h ARG 722 CO -0.02 0.04 -0.02 -0.22 -3.11 0.00 0.00 179.97 176.63 3gyu h LYS 723 N 0.06 -0.06 -0.42 0.20 3.64 -1.35 -0.96 116.57 117.69 3gyu h LYS 723 Ca 0.05 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3gyu h LYS 723 Cb 0.05 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3gyu h LYS 723 CO -0.07 0.14 0.11 0.28 -2.27 0.00 0.00 179.45 177.64 3gyu h VAL 724 N -0.26 0.81 -0.60 2.00 2.07 -0.94 -2.78 116.25 116.55 3gyu h VAL 724 Ca -0.01 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3gyu h VAL 724 Cb 0.23 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3gyu h VAL 724 CO 0.01 0.05 0.09 0.00 0.02 0.00 0.00 177.57 177.74 3gyu h ALA 725 N 1.30 1.03 -0.07 1.67 0.00 -1.15 -3.23 119.26 118.81 3gyu h ALA 725 Ca 0.20 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3gyu h ALA 725 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gyu h ALA 725 CO -0.24 0.62 0.02 1.49 0.00 0.00 0.00 179.25 181.14 3gyu h GLU 726 N 0.92 0.05 -1.31 0.00 4.22 -0.90 -2.31 114.58 115.25 3gyu h GLU 726 Ca 0.19 -0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.24 3gyu h GLU 726 Cb 0.41 -0.01 -0.18 0.00 0.50 0.00 0.00 28.75 29.47 3gyu h GLU 726 CO 0.01 0.03 0.49 0.27 -2.18 0.00 0.00 179.01 177.64 3gyu n ASN 727 N -5.08 5.97 -0.00 1.04 2.04 -1.11 -3.71 115.26 114.42 3gyu n ASN 727 Ca -0.06 -3.17 0.07 0.00 -0.44 0.00 0.00 54.58 50.98 3gyu n ASN 727 Cb 0.04 -0.96 -0.10 0.00 -2.53 0.00 0.00 39.78 36.24 3gyu n ASN 727 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3gyu n ALA 728 N -0.07 2.99 -0.11 -2.53 0.00 -0.87 -4.70 120.51 115.23 3gyu n ALA 728 Ca 0.37 -0.35 0.09 0.00 0.00 0.00 0.00 53.44 53.55 3gyu n ALA 728 Cb 0.74 -0.48 0.44 0.00 0.00 0.00 0.00 19.45 20.15 3gyu n ALA 728 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3gyu h VAL 729 N 0.00 0.96 -0.42 0.00 -1.51 -1.71 -2.11 116.25 111.46 3gyu h VAL 729 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 3gyu h VAL 729 Cb 0.51 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 3gyu h VAL 729 CO 0.00 0.10 0.00 0.35 -1.23 0.00 0.00 177.57 176.79 3gyu n THR 730 N -4.48 0.55 0.27 7.19 -2.24 -1.26 -0.90 114.28 113.40 3gyu n THR 730 Ca 0.09 -0.68 0.17 0.00 -2.27 0.00 0.00 64.05 61.36 3gyu n THR 730 Cb 0.29 0.64 0.79 0.00 -2.10 0.00 0.00 70.33 69.95 3gyu n THR 730 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gyu h LEU 731 N 3.64 0.00 -2.28 3.22 3.38 -1.69 0.11 115.31 121.69 3gyu h LEU 731 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gyu h LEU 731 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3gyu h LEU 731 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3gyu n PHE 732 N -3.12 0.57 -2.79 1.13 3.72 -1.26 0.56 117.46 116.27 3gyu n PHE 732 Ca 0.01 -0.29 -0.42 0.00 -0.05 0.00 0.00 57.45 56.70 3gyu n PHE 732 Cb 0.45 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 3gyu n PHE 732 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3gyu s LEU 733 N -1.39 4.22 0.00 4.37 1.43 0.38 -3.16 118.68 124.53 3gyu s LEU 733 Ca 0.40 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 3gyu s LEU 733 Cb 0.23 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 43.04 3gyu s LEU 733 CO 0.31 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 177.10 3gyu n GLY 734 N 3.23 0.48 0.81 -3.19 0.00 -1.26 -3.75 105.19 101.52 3gyu n GLY 734 Ca 0.06 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.61 3gyu n GLY 734 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyu n ALA 735 N 0.72 2.46 0.00 4.61 0.00 -1.19 -4.72 120.51 122.39 3gyu n ALA 735 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 3gyu n ALA 735 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3gyu n ALA 735 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyu n GLY 736 N 1.13 0.92 3.68 0.00 0.00 -1.26 -4.82 105.19 104.83 3gyu n GLY 736 Ca 0.12 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 3gyu n GLY 736 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gyu s ASN 737 N -0.10 6.56 -0.07 1.61 2.47 -1.26 -4.87 114.94 119.28 3gyu s ASN 737 Ca 0.00 2.52 0.10 0.00 0.42 0.00 0.00 52.86 55.89 3gyu s ASN 737 Cb 0.00 -2.55 0.15 0.00 -1.45 0.00 0.00 41.25 37.40 3gyu s ASN 737 CO 0.00 -0.95 1.04 0.35 -3.72 0.00 0.00 177.10 173.82 3gyu n THR 738 N 5.05 1.23 0.07 -5.21 -2.24 -1.26 -4.74 114.28 107.19 3gyu n THR 738 Ca 0.17 -1.43 0.17 0.00 -2.27 0.00 0.00 64.05 60.70 3gyu n THR 738 Cb 0.41 0.16 0.68 0.00 -2.10 0.00 0.00 70.33 69.48 3gyu n THR 738 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3gyu h THR 739 N 1.26 0.79 -0.01 4.28 1.35 -1.89 0.13 112.91 118.83 3gyu h THR 739 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3gyu h THR 739 Cb 0.93 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3gyu h THR 739 CO 0.00 0.00 -0.14 -1.84 -0.25 0.00 0.00 175.52 173.29 3gyu n GLU 740 N -4.40 0.79 -1.58 4.72 0.00 -1.26 -4.90 120.64 114.01 3gyu n GLU 740 Ca 0.06 -0.34 -0.33 0.00 0.00 0.00 0.00 57.16 56.55 3gyu n GLU 740 Cb 0.46 -1.49 0.06 0.00 0.00 0.00 0.00 31.44 30.48 3gyu n GLU 740 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gyu s ALA 741 N -2.45 2.37 0.48 -1.84 0.00 0.47 -4.95 121.76 115.83 3gyu s ALA 741 Ca 0.28 0.49 -0.21 0.00 0.00 0.00 0.00 51.96 52.53 3gyu s ALA 741 Cb 0.20 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 3gyu s ALA 741 CO 0.48 -1.48 0.69 0.00 0.00 0.00 0.00 175.76 175.45 3gyu n ALA 742 N -2.77 -0.84 0.07 0.00 0.00 -1.26 -4.91 120.51 110.79 3gyu n ALA 742 Ca 0.10 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 3gyu n ALA 742 Cb 0.52 -1.89 -0.14 0.00 0.00 0.00 0.00 19.45 17.94 3gyu n ALA 742 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3gyu h SER 743 N 0.81 0.31 0.29 0.00 0.02 -1.95 -3.34 113.55 109.69 3gyu h SER 743 Ca -0.43 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 3gyu h SER 743 Cb 1.38 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 3gyu h SER 743 CO 0.52 1.30 -0.37 0.25 -1.14 0.00 0.00 176.83 177.38 3gyu h LEU 744 N 0.05 -1.03 -2.32 5.07 6.46 -1.97 -2.00 115.31 119.57 3gyu h LEU 744 Ca -0.16 0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 3gyu h LEU 744 Cb 1.95 0.36 -0.00 0.00 -0.73 0.00 0.00 40.66 42.24 3gyu h LEU 744 CO 0.17 -0.50 0.03 -0.65 -0.62 0.00 0.00 178.44 176.88 3gyu h PRO 745 N -0.72 0.00 0.00 5.25 0.11 -1.87 -0.76 132.00 134.02 3gyu h PRO 745 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3gyu h PRO 745 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3gyu h PRO 745 CO -0.11 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.31 3gyu n LYS 746 N -4.01 0.19 0.10 1.05 5.02 -0.76 -1.80 118.16 117.94 3gyu n LYS 746 Ca -0.02 0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 3gyu n LYS 746 Cb 0.13 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 33.96 3gyu n LYS 746 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gyu h GLU 747 N 0.00 0.00 0.00 1.97 5.08 -1.07 -3.31 114.58 117.25 3gyu h GLU 747 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3gyu h GLU 747 Cb 0.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3gyu h GLU 747 CO 0.00 0.00 -1.87 1.19 -1.00 0.00 0.00 179.01 177.33 3gyu n PHE 748 N -2.28 0.00 -3.80 4.33 3.01 -0.78 -4.96 117.46 112.99 3gyu n PHE 748 Ca 0.05 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.15 3gyu n PHE 748 Cb 0.44 -0.62 -0.13 0.00 -0.01 0.00 0.00 39.48 39.16 3gyu n PHE 748 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3gyu s PHE 749 N -2.34 3.05 0.56 1.38 0.08 -0.75 -4.73 117.98 115.24 3gyu s PHE 749 Ca -0.06 -0.60 -0.21 0.00 0.12 0.00 0.00 56.93 56.18 3gyu s PHE 749 Cb 0.04 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 3gyu s PHE 749 CO 0.53 -0.42 1.30 0.00 -0.10 0.00 0.00 175.22 176.52 3gyu s ALA 750 N 1.57 2.71 0.02 5.36 0.00 -0.08 -4.59 121.76 126.74 3gyu s ALA 750 Ca 0.06 1.21 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 3gyu s ALA 750 Cb -0.15 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.47 3gyu s ALA 750 CO 0.02 -1.29 0.27 0.99 0.00 0.00 0.00 175.76 175.75 3gyu s THR 751 N -1.40 0.08 -1.77 0.00 2.01 -1.26 -4.08 115.64 109.21 3gyu s THR 751 Ca 0.74 -0.65 0.22 0.00 0.31 0.00 0.00 61.69 62.31 3gyu s THR 751 Cb -0.37 -0.78 0.68 0.00 0.01 0.00 0.00 72.50 72.04 3gyu s THR 751 CO 0.42 -0.36 1.57 0.59 -0.69 0.00 0.00 174.62 176.16 3gyu n ASN 752 N 0.91 4.20 -0.57 3.53 4.13 -1.26 -5.06 115.26 121.13 3gyu n ASN 752 Ca -0.20 -2.11 0.07 0.00 1.68 0.00 0.00 54.58 54.02 3gyu n ASN 752 Cb 0.58 -0.52 0.06 0.00 -1.54 0.00 0.00 39.78 38.36 3gyu n ASN 752 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32