#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndo s ILE 503 N 0.00 5.10 -0.54 3.17 -1.09 -1.26 -5.02 121.20 121.56 1ndo s ILE 503 Ca 0.00 1.17 -0.17 0.00 -2.23 0.00 0.00 60.65 59.42 1ndo s ILE 503 Cb 0.00 -3.92 0.11 0.00 -1.58 0.00 0.00 42.46 37.06 1ndo s ILE 503 CO 0.00 0.24 0.56 0.21 -1.23 0.00 0.00 174.94 174.72 1ndo s ASN 504 N 0.85 6.18 0.00 3.58 3.84 -1.26 -4.93 114.94 123.20 1ndo s ASN 504 Ca 0.30 -1.53 0.27 0.00 0.21 0.00 0.00 52.86 52.11 1ndo s ASN 504 Cb -0.16 -2.24 1.51 0.00 -0.55 0.00 0.00 41.25 39.81 1ndo s ASN 504 CO 0.13 -0.91 1.94 2.30 -2.79 0.00 0.00 177.10 177.76 1ndo n ILE 505 N 5.37 0.06 0.03 -5.21 -5.35 -1.26 0.27 119.36 113.27 1ndo n ILE 505 Ca -0.12 0.02 -0.10 0.00 -0.27 0.00 0.00 62.75 62.28 1ndo n ILE 505 Cb 0.42 -0.59 -0.13 0.00 -1.74 0.00 0.00 39.64 37.60 1ndo n ILE 505 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1ndo h GLN 506 N 0.00 0.05 0.02 6.28 4.20 -1.95 -3.36 115.11 120.35 1ndo h GLN 506 Ca 0.00 -0.08 -0.21 0.00 0.06 0.00 0.00 58.65 58.42 1ndo h GLN 506 Cb 0.09 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1ndo h GLN 506 CO 0.00 0.83 -1.14 0.93 -0.67 0.00 0.00 178.83 178.78 1ndo h GLU 507 N 0.01 0.05 -5.55 1.46 5.08 -1.70 -3.40 114.58 110.53 1ndo h GLU 507 Ca -0.16 -0.08 -0.68 0.00 -1.00 0.00 0.00 59.36 57.43 1ndo h GLU 507 Cb 1.91 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 31.08 1ndo h GLU 507 CO 0.12 1.04 1.80 -0.51 -1.00 0.00 0.00 179.01 180.45 1ndo s ASP 508 N -6.79 6.84 0.32 1.42 1.01 0.14 -4.82 116.67 114.79 1ndo s ASP 508 Ca -0.26 -2.43 0.25 0.00 0.71 0.00 0.00 52.55 50.83 1ndo s ASP 508 Cb 0.04 -2.52 1.12 0.00 1.01 0.00 0.00 42.92 42.57 1ndo s ASP 508 CO 0.64 -1.10 1.76 0.11 0.21 0.00 0.00 175.17 176.80 1ndo h LYS 509 N 7.85 0.00 0.00 8.23 1.57 -1.79 -2.61 116.57 129.82 1ndo h LYS 509 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1ndo h LYS 509 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1ndo h LYS 509 CO 1.38 0.00 -0.57 1.28 -0.57 0.00 0.00 179.45 180.97 1ndo n LEU 510 N -2.39 0.57 -4.77 2.94 4.77 -1.26 -4.94 117.00 111.92 1ndo n LEU 510 Ca 0.01 0.12 -0.39 0.00 -0.03 0.00 0.00 56.01 55.72 1ndo n LEU 510 Cb 0.20 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1ndo n LEU 510 CO 0.19 0.03 0.55 -0.69 -1.33 0.00 0.00 177.39 176.14 1ndo s VAL 511 N -3.09 4.26 0.53 4.08 1.01 -0.98 -5.06 120.40 121.15 1ndo s VAL 511 Ca 0.08 1.84 -0.06 0.00 0.00 0.00 0.00 61.98 63.85 1ndo s VAL 511 Cb 0.16 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1ndo s VAL 511 CO 0.71 0.50 0.84 -0.94 0.00 0.00 0.00 175.10 176.21 1ndo s SER 512 N -1.18 5.98 0.13 3.32 1.04 -1.26 -4.93 113.70 116.79 1ndo s SER 512 Ca 0.38 0.86 -0.17 0.00 0.48 0.00 0.00 55.95 57.50 1ndo s SER 512 Cb -0.24 -2.03 -0.02 0.00 0.10 0.00 0.00 66.02 63.83 1ndo s SER 512 CO 0.28 -0.79 1.68 0.00 0.98 0.00 0.00 173.24 175.39 1ndo h ALA 513 N 0.04 0.47 -0.57 5.32 0.00 -1.99 -1.20 119.26 121.33 1ndo h ALA 513 Ca -0.46 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.36 1ndo h ALA 513 Cb 1.23 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1ndo h ALA 513 CO 0.61 0.06 0.33 1.25 0.00 0.00 0.00 179.25 181.50 1ndo h HIS 514 N 0.44 0.61 -0.68 0.00 -0.00 -2.00 -0.74 115.15 112.78 1ndo h HIS 514 Ca 0.12 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.43 1ndo h HIS 514 Cb 0.17 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 1ndo h HIS 514 CO -0.01 0.33 0.12 -0.44 -0.00 0.00 0.00 177.93 177.93 1ndo h ASP 515 N 0.64 1.07 -0.53 3.26 3.32 -1.85 -2.21 116.42 120.13 1ndo h ASP 515 Ca 0.24 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1ndo h ASP 515 Cb 0.08 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1ndo h ASP 515 CO -0.13 1.06 0.22 0.00 -1.72 0.00 0.00 179.24 178.67 1ndo h ALA 516 N 1.07 1.32 -0.19 3.45 0.00 -0.75 -2.52 119.26 121.65 1ndo h ALA 516 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ndo h ALA 516 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ndo h ALA 516 CO 0.01 0.50 0.07 0.93 0.00 0.00 0.00 179.25 180.77 1ndo h GLU 517 N 0.82 0.28 -0.76 0.00 5.08 -0.75 -2.60 114.58 116.64 1ndo h GLU 517 Ca 0.19 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1ndo h GLU 517 Cb 0.17 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1ndo h GLU 517 CO -0.02 0.36 0.35 0.93 -1.00 0.00 0.00 179.01 179.64 1ndo h GLU 518 N 0.14 1.10 -0.10 2.33 4.39 -1.27 -2.05 114.58 119.12 1ndo h GLU 518 Ca 0.06 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 1ndo h GLU 518 Cb 0.19 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1ndo h GLU 518 CO -0.00 0.87 -0.41 0.97 -1.16 0.00 0.00 179.01 179.27 1ndo h ILE 519 N 1.07 1.31 -0.93 3.13 2.10 -1.34 -2.77 117.51 120.08 1ndo h ILE 519 Ca 0.26 -1.52 0.08 0.00 1.08 0.00 0.00 64.86 64.76 1ndo h ILE 519 Cb 0.14 1.70 -0.07 0.00 -1.09 0.00 0.00 36.82 37.50 1ndo h ILE 519 CO -0.03 0.45 0.58 0.25 -1.08 0.00 0.00 178.15 178.32 1ndo h LEU 520 N 0.18 0.89 -1.73 2.19 5.85 -0.98 -0.47 115.31 121.25 1ndo h LEU 520 Ca 0.02 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1ndo h LEU 520 Cb 0.81 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1ndo h LEU 520 CO 0.06 0.54 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.47 1ndo h ARG 521 N 1.01 0.00 0.00 1.25 2.43 -1.28 -3.28 114.38 114.51 1ndo h ARG 521 Ca 0.43 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.47 1ndo h ARG 521 Cb 0.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1ndo h ARG 521 CO -0.21 0.14 -1.83 1.19 -1.51 0.00 0.00 179.97 177.75 1ndo n PHE 522 N -4.34 0.00 0.24 2.20 3.72 -0.67 -4.38 117.46 114.23 1ndo n PHE 522 Ca -0.03 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 1ndo n PHE 522 Cb 0.21 -0.52 0.61 0.00 -0.94 0.00 0.00 39.48 38.84 1ndo n PHE 522 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 1ndo h PHE 523 N 0.00 0.00 0.00 1.38 -1.00 -1.18 -3.33 116.94 112.82 1ndo h PHE 523 Ca -0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.59 1ndo h PHE 523 Cb 1.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.85 1ndo h PHE 523 CO 0.00 0.15 0.00 0.09 -1.61 0.00 0.00 178.31 176.94 1ndo n ASN 524 N -4.04 0.00 -4.58 2.17 3.02 -1.25 -4.82 115.26 105.76 1ndo n ASN 524 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 1ndo n ASN 524 Cb 0.23 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 1ndo n ASN 524 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ndo n HIS 526 N 10.11 3.97 -1.94 0.00 8.25 -1.26 -4.69 115.22 129.66 1ndo n HIS 526 Ca 0.18 -3.89 -0.42 0.00 -0.26 0.00 0.00 57.72 53.33 1ndo n HIS 526 Cb 0.49 -0.54 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 1ndo n HIS 526 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ndo s ASP 527 N -3.33 6.62 0.28 0.41 2.15 -1.26 -4.94 116.67 116.60 1ndo s ASP 527 Ca 0.48 2.42 0.02 0.00 0.43 0.00 0.00 52.55 55.90 1ndo s ASP 527 Cb 0.28 -2.55 0.61 0.00 -0.30 0.00 0.00 42.92 40.96 1ndo s ASP 527 CO -0.14 -0.90 1.78 0.28 -0.17 0.00 0.00 175.17 176.02 1ndo h SER 528 N 8.80 0.70 -0.27 -0.34 0.02 -1.99 -1.57 113.55 118.90 1ndo h SER 528 Ca -0.42 0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.45 1ndo h SER 528 Cb 1.20 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 1ndo h SER 528 CO 0.94 0.29 -0.46 0.00 -1.14 0.00 0.00 176.83 176.45 1ndo h ALA 529 N 1.59 0.58 -0.75 3.77 0.00 -2.00 -2.59 119.26 119.87 1ndo h ALA 529 Ca 0.51 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ndo h ALA 529 Cb 0.72 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1ndo h ALA 529 CO -0.35 0.68 0.25 1.25 0.00 0.00 0.00 179.25 181.07 1ndo h LEU 530 N 0.67 1.07 -0.28 0.00 5.85 -1.80 -1.50 115.31 119.32 1ndo h LEU 530 Ca 0.04 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1ndo h LEU 530 Cb 1.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1ndo h LEU 530 CO 0.10 0.98 0.16 1.56 -0.34 0.00 0.00 178.44 180.90 1ndo h GLN 531 N 1.11 0.39 -0.43 1.25 1.08 -1.24 0.24 115.11 117.50 1ndo h GLN 531 Ca 0.24 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.32 1ndo h GLN 531 Cb 0.28 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1ndo h GLN 531 CO -0.01 0.33 -0.03 0.37 -0.95 0.00 0.00 178.83 178.54 1ndo h GLN 532 N 0.35 0.78 0.02 1.46 4.15 -1.39 0.37 115.11 120.84 1ndo h GLN 532 Ca 0.10 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 1ndo h GLN 532 Cb 0.05 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1ndo h GLN 532 CO -0.02 0.87 -0.01 1.49 -1.93 0.00 0.00 178.83 179.23 1ndo h GLU 533 N 0.61 -0.03 -0.63 1.69 4.81 -1.03 -1.28 114.58 118.72 1ndo h GLU 533 Ca 0.12 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1ndo h GLU 533 Cb 0.54 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1ndo h GLU 533 CO 0.03 0.01 0.36 0.00 -0.73 0.00 0.00 179.01 178.68 1ndo h ALA 534 N 0.91 0.84 -0.78 2.92 0.00 -0.21 -0.24 119.26 122.70 1ndo h ALA 534 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ndo h ALA 534 Cb 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1ndo h ALA 534 CO 0.01 0.05 0.44 1.15 0.00 0.00 0.00 179.25 180.90 1ndo h THR 535 N 0.68 1.23 -0.23 0.00 2.02 -0.72 -1.02 112.91 114.87 1ndo h THR 535 Ca 0.28 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 1ndo h THR 535 Cb 0.13 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1ndo h THR 535 CO -0.16 0.25 -0.08 0.74 0.37 0.00 0.00 175.52 176.64 1ndo h THR 536 N 1.08 1.29 -0.17 3.16 2.02 -0.92 -0.63 112.91 118.74 1ndo h THR 536 Ca 0.28 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.36 1ndo h THR 536 Cb 0.02 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1ndo h THR 536 CO -0.05 0.35 -0.01 -0.07 0.37 0.00 0.00 175.52 176.11 1ndo h LEU 537 N 0.18 -0.08 -0.59 2.58 3.38 -0.68 -1.73 115.31 118.38 1ndo h LEU 537 Ca 0.05 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1ndo h LEU 537 Cb 0.56 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1ndo h LEU 537 CO 0.03 -0.02 -0.54 -0.07 0.09 0.00 0.00 178.44 177.93 1ndo h LEU 538 N 0.05 0.51 -0.76 1.67 3.38 -1.02 -2.02 115.31 117.12 1ndo h LEU 538 Ca 0.08 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1ndo h LEU 538 Cb 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1ndo h LEU 538 CO -0.14 0.95 0.23 0.74 0.09 0.00 0.00 178.44 180.31 1ndo h THR 539 N 0.35 1.26 0.06 0.22 2.02 -1.07 0.85 112.91 116.60 1ndo h THR 539 Ca 0.01 -0.92 -0.26 0.00 0.77 0.00 0.00 66.41 66.01 1ndo h THR 539 Cb 1.07 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1ndo h THR 539 CO 0.10 0.36 -1.10 1.56 0.37 0.00 0.00 175.52 176.81 1ndo h GLN 540 N 1.11 0.51 -0.60 6.66 4.20 -1.26 -1.27 115.11 124.45 1ndo h GLN 540 Ca 0.24 -0.63 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 1ndo h GLN 540 Cb 0.31 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1ndo h GLN 540 CO -0.01 1.25 0.35 1.49 -0.67 0.00 0.00 178.83 181.24 1ndo h GLU 541 N 0.25 0.82 -0.47 1.46 4.81 -1.02 -0.90 114.58 119.53 1ndo h GLU 541 Ca -0.13 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 1ndo h GLU 541 Cb 1.76 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.95 1ndo h GLU 541 CO 0.20 0.60 -0.01 0.00 -0.73 0.00 0.00 179.01 179.07 1ndo h ALA 542 N 1.17 1.09 0.02 2.92 0.00 -0.69 -1.70 119.26 122.08 1ndo h ALA 542 Ca 0.21 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ndo h ALA 542 Cb -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1ndo h ALA 542 CO -0.04 0.57 -0.01 1.25 0.00 0.00 0.00 179.25 181.03 1ndo h HIS 543 N 0.74 -0.02 -0.16 0.00 -0.00 -0.84 0.16 115.15 115.02 1ndo h HIS 543 Ca 0.14 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.55 1ndo h HIS 543 Cb 0.47 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.85 1ndo h HIS 543 CO 0.02 0.02 -0.05 -0.07 -0.00 0.00 0.00 177.93 177.85 1ndo h LEU 544 N -0.06 -0.18 -0.59 0.26 3.38 -0.78 -2.50 115.31 114.83 1ndo h LEU 544 Ca -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ndo h LEU 544 Cb 0.05 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1ndo h LEU 544 CO 0.00 -0.07 0.32 -0.07 0.09 0.00 0.00 178.44 178.72 1ndo h LEU 545 N -0.02 0.74 -1.46 1.67 4.07 -1.14 -0.15 115.31 119.02 1ndo h LEU 545 Ca 0.08 -0.09 0.01 0.00 0.08 0.00 0.00 57.88 57.96 1ndo h LEU 545 Cb 0.14 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 1ndo h LEU 545 CO -0.18 0.62 0.37 0.44 -1.08 0.00 0.00 178.44 178.62 1ndo h ASP 546 N 0.80 0.62 -0.42 -0.43 3.32 -0.37 0.57 116.42 120.52 1ndo h ASP 546 Ca 0.21 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1ndo h ASP 546 Cb 0.05 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1ndo h ASP 546 CO -0.03 0.45 0.00 2.30 -1.72 0.00 0.00 179.24 180.24 1ndo n ILE 547 N -4.46 0.56 -2.99 0.35 -5.35 -0.97 -4.21 119.36 102.29 1ndo n ILE 547 Ca 0.05 -0.56 -0.17 0.00 -0.27 0.00 0.00 62.75 61.81 1ndo n ILE 547 Cb 0.06 0.29 0.04 0.00 -1.74 0.00 0.00 39.64 38.29 1ndo n ILE 547 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ndo n GLN 548 N 0.73 -4.40 -2.34 6.28 6.02 0.19 -4.92 117.38 118.94 1ndo n GLN 548 Ca 0.14 0.65 -0.42 0.00 -0.01 0.00 0.00 57.00 57.36 1ndo n GLN 548 Cb 0.35 -5.00 0.00 0.00 1.02 0.00 0.00 30.24 26.61 1ndo n GLN 548 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ndo n ALA 549 N -3.53 5.91 0.03 -1.58 0.00 -0.09 -4.75 120.51 116.51 1ndo n ALA 549 Ca -0.05 -4.34 -0.02 0.00 0.00 0.00 0.00 53.44 49.03 1ndo n ALA 549 Cb 0.57 -2.74 0.25 0.00 0.00 0.00 0.00 19.45 17.52 1ndo n ALA 549 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ndo h TYR 550 N 5.16 0.47 -0.42 0.00 0.05 -1.91 -0.76 116.97 119.56 1ndo h TYR 550 Ca 0.49 -0.09 -0.06 0.00 0.05 0.00 0.00 58.73 59.12 1ndo h TYR 550 Cb 0.48 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 1ndo h TYR 550 CO 1.35 0.61 0.04 0.00 -1.05 0.00 0.00 178.16 179.11 1ndo h ARG 551 N 0.39 0.72 -0.57 4.88 3.08 -1.95 -0.36 114.38 120.57 1ndo h ARG 551 Ca 0.06 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1ndo h ARG 551 Cb 0.58 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1ndo h ARG 551 CO 0.04 0.77 0.11 0.00 -1.07 0.00 0.00 179.97 179.82 1ndo h ALA 552 N 0.92 1.13 -0.10 0.04 0.00 -1.93 0.19 119.26 119.51 1ndo h ALA 552 Ca 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ndo h ALA 552 Cb 0.42 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ndo h ALA 552 CO 0.01 0.58 0.06 2.35 0.00 0.00 0.00 179.25 182.25 1ndo h TRP 553 N 0.85 0.13 -0.85 0.00 7.01 -0.72 0.23 115.95 122.60 1ndo h TRP 553 Ca 0.18 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.19 1ndo h TRP 553 Cb 0.35 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.32 1ndo h TRP 553 CO 0.02 0.14 0.56 1.25 -2.79 0.00 0.00 178.44 177.63 1ndo h LEU 554 N 0.08 0.97 -0.09 0.65 5.85 -0.42 -0.69 115.31 121.66 1ndo h LEU 554 Ca 0.04 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1ndo h LEU 554 Cb 0.05 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1ndo h LEU 554 CO -0.01 0.69 -0.22 -0.08 -0.34 0.00 0.00 178.44 178.49 1ndo h GLU 555 N 1.14 0.30 0.00 1.25 4.81 -0.36 -3.29 114.58 118.43 1ndo h GLU 555 Ca 0.32 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ndo h GLU 555 Cb -0.10 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1ndo h GLU 555 CO -0.08 0.81 -1.48 0.72 -0.73 0.00 0.00 179.01 178.25 1ndo n HIS 556 N -4.52 0.34 -0.01 0.92 8.25 0.78 -4.67 115.22 116.32 1ndo n HIS 556 Ca -0.08 0.10 0.01 0.00 -0.26 0.00 0.00 57.72 57.49 1ndo n HIS 556 Cb 0.43 -0.60 -0.02 0.00 1.12 0.00 0.00 29.99 30.91 1ndo n HIS 556 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ndo s VAL 558 N -2.17 4.62 0.63 0.00 1.01 -1.13 0.88 120.40 124.24 1ndo s VAL 558 Ca -0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1ndo s VAL 558 Cb 0.02 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1ndo s VAL 558 CO 0.12 0.47 1.04 -0.83 0.00 0.00 0.00 175.10 175.90 1ndo s GLY 559 N 0.34 1.84 0.45 4.51 0.00 0.21 -4.76 107.32 109.91 1ndo s GLY 559 Ca 0.02 0.14 0.23 0.00 0.00 0.00 0.00 44.72 45.11 1ndo s GLY 559 CO 0.01 0.43 1.91 1.48 0.00 0.00 0.00 173.10 176.93 1ndo h SER 560 N -0.10 0.00 -0.49 1.64 4.64 -1.94 -2.39 113.55 114.90 1ndo h SER 560 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ndo h SER 560 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ndo h SER 560 CO 0.59 0.23 0.00 -0.62 -0.87 0.00 0.00 176.83 176.15 1ndo n GLU 561 N -3.59 3.10 -1.65 4.77 4.71 -1.26 -4.44 120.64 122.28 1ndo n GLU 561 Ca -0.01 -2.18 -0.42 0.00 -0.01 0.00 0.00 57.16 54.54 1ndo n GLU 561 Cb 0.36 -1.75 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 1ndo n GLU 561 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1ndo n VAL 562 N 0.80 2.27 -3.99 2.62 3.14 -0.90 -4.88 118.33 117.38 1ndo n VAL 562 Ca 0.20 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.75 1ndo n VAL 562 Cb 0.71 -1.35 -0.14 0.00 -1.06 0.00 0.00 33.84 32.00 1ndo n VAL 562 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1ndo s GLN 563 N -1.95 2.17 -0.46 1.45 0.74 -0.64 -4.14 119.66 116.82 1ndo s GLN 563 Ca 0.60 -1.44 -0.10 0.00 0.05 0.00 0.00 55.36 54.47 1ndo s GLN 563 Cb -0.57 -3.07 0.11 0.00 1.10 0.00 0.00 33.01 30.57 1ndo s GLN 563 CO 0.59 -0.67 0.34 -0.47 -0.55 0.00 0.00 175.29 174.52 1ndo s TYR 564 N 1.12 3.38 -0.02 1.67 5.04 0.10 -1.35 117.35 127.28 1ndo s TYR 564 Ca -0.04 -1.69 0.05 0.00 -2.44 0.00 0.00 57.07 52.95 1ndo s TYR 564 Cb -0.20 -3.36 -0.01 0.00 0.35 0.00 0.00 41.96 38.74 1ndo s TYR 564 CO -0.04 -0.95 -0.16 -1.14 -1.34 0.00 0.00 175.55 171.92 1ndo s GLN 565 N 1.41 1.44 -0.09 4.97 0.74 -0.12 -0.16 119.66 127.85 1ndo s GLN 565 Ca 0.05 -0.56 -0.01 0.00 0.05 0.00 0.00 55.36 54.88 1ndo s GLN 565 Cb -0.26 -1.33 0.03 0.00 1.10 0.00 0.00 33.01 32.55 1ndo s GLN 565 CO 0.01 0.29 -0.03 0.08 -0.55 0.00 0.00 175.29 175.09 1ndo s VAL 566 N -0.18 0.63 0.33 1.34 1.01 0.00 -1.06 120.40 122.46 1ndo s VAL 566 Ca 0.02 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1ndo s VAL 566 Cb -0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1ndo s VAL 566 CO 0.00 0.30 0.19 0.27 0.00 0.00 0.00 175.10 175.86 1ndo s ILE 567 N 1.84 3.27 -0.13 2.22 -4.36 0.11 0.10 121.20 124.25 1ndo s ILE 567 Ca 0.04 -1.59 -0.00 0.00 -0.26 0.00 0.00 60.65 58.85 1ndo s ILE 567 Cb -0.12 -3.06 0.02 0.00 1.25 0.00 0.00 42.46 40.55 1ndo s ILE 567 CO -0.06 -0.20 -0.11 -0.55 0.24 0.00 0.00 174.94 174.26 1ndo s SER 568 N -3.89 2.46 -0.13 4.36 0.15 -0.66 -1.36 113.70 114.63 1ndo s SER 568 Ca 0.38 -0.41 -0.09 0.00 0.70 0.00 0.00 55.95 56.53 1ndo s SER 568 Cb -0.04 -1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.21 1ndo s SER 568 CO 0.24 -0.09 0.18 -0.60 1.20 0.00 0.00 173.24 174.17 1ndo s ARG 569 N 1.59 3.76 0.37 5.44 3.52 -1.26 -1.82 118.95 130.56 1ndo s ARG 569 Ca 0.05 -0.08 -0.27 0.00 -0.13 0.00 0.00 55.73 55.30 1ndo s ARG 569 Cb -0.13 -3.28 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 1ndo s ARG 569 CO -0.10 0.59 1.27 -2.00 -0.81 0.00 0.00 175.30 174.25 1ndo s GLU 570 N -0.52 4.15 -0.23 5.12 2.12 0.38 -4.93 118.70 124.79 1ndo s GLU 570 Ca 0.14 2.10 -0.29 0.00 0.36 0.00 0.00 54.97 57.28 1ndo s GLU 570 Cb -0.12 -2.87 0.01 0.00 0.26 0.00 0.00 34.13 31.41 1ndo s GLU 570 CO 0.03 -0.32 1.03 -0.51 -0.54 0.00 0.00 175.26 174.95 1ndo s LEU 571 N -2.18 4.10 0.16 2.70 1.02 -1.26 -4.99 118.68 118.23 1ndo s LEU 571 Ca 0.54 1.37 0.08 0.00 0.02 0.00 0.00 54.13 56.13 1ndo s LEU 571 Cb -0.37 -3.52 -0.04 0.00 0.02 0.00 0.00 46.19 42.28 1ndo s LEU 571 CO 0.48 -0.66 -0.17 -0.13 0.02 0.00 0.00 176.35 175.89 1ndo s ARG 572 N 3.18 1.20 0.31 1.70 1.81 -1.26 -5.12 118.95 120.77 1ndo s ARG 572 Ca 0.44 -1.37 -0.29 0.00 -1.72 0.00 0.00 55.73 52.79 1ndo s ARG 572 Cb -0.15 -1.17 -0.13 0.00 -0.45 0.00 0.00 34.95 33.05 1ndo s ARG 572 CO 0.06 0.23 1.27 0.00 -0.68 0.00 0.00 175.30 176.18 1ndo n ALA 573 N 0.30 1.02 0.25 2.13 0.00 -1.26 -4.88 120.51 118.07 1ndo n ALA 573 Ca -0.13 0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.78 1ndo n ALA 573 Cb 0.57 -2.22 0.69 0.00 0.00 0.00 0.00 19.45 18.49 1ndo n ALA 573 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ndo h ALA 574 N 2.79 1.96 -0.63 0.00 0.00 -2.04 -1.93 119.26 119.42 1ndo h ALA 574 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ndo h ALA 574 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ndo h ALA 574 CO 0.65 -0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 1ndo n SER 575 N -4.42 3.54 -4.73 0.00 3.41 -1.26 -4.96 113.62 105.20 1ndo n SER 575 Ca -0.02 -2.06 -0.42 0.00 -0.26 0.00 0.00 58.87 56.11 1ndo n SER 575 Cb 0.13 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1ndo n SER 575 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ndo s GLU 576 N -1.26 4.25 0.00 4.33 2.56 -0.73 -4.87 118.70 122.99 1ndo s GLU 576 Ca 0.43 2.29 0.00 0.00 0.00 0.00 0.00 54.97 57.69 1ndo s GLU 576 Cb 0.23 -3.15 0.00 0.00 2.00 0.00 0.00 34.13 33.21 1ndo s GLU 576 CO 0.28 -0.50 0.00 0.54 -0.56 0.00 0.00 175.26 175.01 1ndo n ARG 577 N 3.30 3.23 -0.12 4.30 3.00 -1.26 -4.92 116.66 124.19 1ndo n ARG 577 Ca 0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 57.85 57.68 1ndo n ARG 577 Cb 0.40 -0.48 -0.11 0.00 0.00 0.00 0.00 32.46 32.27 1ndo n ARG 577 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ndo n ARG 578 N -0.54 0.60 -1.90 5.56 1.74 -1.26 -4.93 116.66 115.93 1ndo n ARG 578 Ca 0.00 0.30 -0.42 0.00 -0.77 0.00 0.00 57.85 56.96 1ndo n ARG 578 Cb 0.00 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.86 1ndo n ARG 578 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ndo s TYR 579 N -2.49 2.15 -0.04 -1.55 5.04 -1.26 -4.87 117.35 114.33 1ndo s TYR 579 Ca -0.36 0.17 0.07 0.00 -2.44 0.00 0.00 57.07 54.51 1ndo s TYR 579 Cb 0.12 -4.00 0.11 0.00 0.35 0.00 0.00 41.96 38.54 1ndo s TYR 579 CO 0.54 -4.14 1.05 1.63 -1.34 0.00 0.00 175.55 173.30 1ndo n LYS 580 N 6.22 0.35 -0.90 4.97 5.02 -1.26 -5.08 118.16 127.49 1ndo n LYS 580 Ca 0.17 -1.52 -0.29 0.00 -2.02 0.00 0.00 58.31 54.65 1ndo n LYS 580 Cb 0.41 -0.74 0.19 0.00 -0.02 0.00 0.00 35.03 34.88 1ndo n LYS 580 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ndo s LEU 581 N -0.79 1.59 -0.26 -0.35 1.02 -1.26 -4.82 118.68 113.82 1ndo s LEU 581 Ca 0.11 1.48 -0.32 0.00 0.02 0.00 0.00 54.13 55.43 1ndo s LEU 581 Cb 0.11 -3.64 -0.14 0.00 0.02 0.00 0.00 46.19 42.54 1ndo s LEU 581 CO -0.01 -3.41 1.03 0.59 0.02 0.00 0.00 176.35 174.57 1ndo n ASN 582 N -4.39 0.63 0.05 2.29 5.03 -1.26 -4.86 115.26 112.75 1ndo n ASN 582 Ca 0.05 0.83 -0.02 0.00 0.87 0.00 0.00 54.58 56.32 1ndo n ASN 582 Cb 0.55 -0.63 -0.07 0.00 -1.02 0.00 0.00 39.78 38.61 1ndo n ASN 582 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1ndo h GLU 583 N 3.15 0.00 -3.73 3.52 5.08 -1.97 -3.47 114.58 117.16 1ndo h GLU 583 Ca -0.32 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.91 1ndo h GLU 583 Cb 0.97 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.04 1ndo h GLU 583 CO 0.63 0.47 -0.51 0.00 -1.00 0.00 0.00 179.01 178.60 1ndo s ALA 584 N -2.85 -0.14 0.31 3.43 0.00 -1.26 -0.47 121.76 120.78 1ndo s ALA 584 Ca -0.01 -0.45 0.10 0.00 0.00 0.00 0.00 51.96 51.60 1ndo s ALA 584 Cb 0.08 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 1ndo s ALA 584 CO 0.80 -0.30 -0.02 0.00 0.00 0.00 0.00 175.76 176.23 1ndo s MET 585 N -2.37 2.08 -0.28 0.00 0.23 -0.76 -4.96 119.30 113.25 1ndo s MET 585 Ca -0.07 -1.65 -0.11 0.00 -1.03 0.00 0.00 55.69 52.83 1ndo s MET 585 Cb -0.02 -1.98 -0.05 0.00 -1.53 0.00 0.00 34.83 31.25 1ndo s MET 585 CO -0.03 0.23 0.18 -0.80 -2.03 0.00 0.00 175.02 172.57 1ndo s ASN 586 N -3.67 5.95 0.04 -1.18 0.01 -1.26 -1.65 114.94 113.17 1ndo s ASN 586 Ca 0.33 -0.02 -0.17 0.00 -0.71 0.00 0.00 52.86 52.29 1ndo s ASN 586 Cb -0.03 -2.10 -0.27 0.00 0.41 0.00 0.00 41.25 39.26 1ndo s ASN 586 CO 0.19 -0.05 1.10 0.58 -1.51 0.00 0.00 177.10 177.41 1ndo h VAL 587 N 5.37 1.34 -4.02 1.60 2.07 0.35 -3.44 116.25 119.52 1ndo h VAL 587 Ca -0.35 -2.33 -0.53 0.00 0.82 0.00 0.00 66.70 64.31 1ndo h VAL 587 Cb 1.19 2.65 -0.23 0.00 -1.52 0.00 0.00 31.29 33.37 1ndo h VAL 587 CO 0.55 0.70 -0.82 -0.31 0.02 0.00 0.00 177.57 177.71 1ndo s TYR 588 N -3.06 1.63 -0.48 1.57 2.02 -0.93 -4.94 117.35 113.16 1ndo s TYR 588 Ca -0.11 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.25 1ndo s TYR 588 Cb 0.05 -0.93 0.26 0.00 -0.40 0.00 0.00 41.96 40.94 1ndo s TYR 588 CO 0.89 0.12 0.95 -1.71 -1.57 0.00 0.00 175.55 174.23 1ndo n ASN 589 N 1.49 -2.77 -4.63 2.29 5.15 -1.16 -0.82 115.26 114.82 1ndo n ASN 589 Ca -0.19 -3.39 -0.32 0.00 -0.60 0.00 0.00 54.58 50.08 1ndo n ASN 589 Cb 0.54 1.86 -0.10 0.00 -0.53 0.00 0.00 39.78 41.55 1ndo n ASN 589 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ndo s GLU 590 N 0.59 2.56 0.39 1.20 0.41 0.77 -4.88 118.70 119.75 1ndo s GLU 590 Ca 0.30 -0.75 0.03 0.00 -0.41 0.00 0.00 54.97 54.14 1ndo s GLU 590 Cb 0.24 -2.53 0.07 0.00 -1.78 0.00 0.00 34.13 30.14 1ndo s GLU 590 CO -0.20 0.59 0.54 0.27 -0.49 0.00 0.00 175.26 175.97 1ndo n ASN 591 N 1.25 1.10 -0.23 -0.19 0.23 -1.26 -0.72 115.26 115.44 1ndo n ASN 591 Ca -0.14 -1.84 -0.03 0.00 -0.53 0.00 0.00 54.58 52.03 1ndo n ASN 591 Cb 0.52 -0.32 0.08 0.00 -2.08 0.00 0.00 39.78 37.98 1ndo n ASN 591 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1ndo h PHE 592 N -0.18 0.75 -0.32 -2.53 3.57 -1.78 -0.46 116.94 115.99 1ndo h PHE 592 Ca -0.18 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.22 1ndo h PHE 592 Cb 0.76 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1ndo h PHE 592 CO 0.00 0.41 -0.31 1.96 -2.23 0.00 0.00 178.31 178.14 1ndo h GLN 593 N 0.77 0.69 -0.56 1.11 1.08 -1.94 -0.75 115.11 115.51 1ndo h GLN 593 Ca 0.27 -0.31 -0.10 0.00 -1.45 0.00 0.00 58.65 57.06 1ndo h GLN 593 Cb 0.06 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1ndo h GLN 593 CO -0.12 0.91 -0.05 1.96 -0.95 0.00 0.00 178.83 180.57 1ndo h GLN 594 N 0.58 1.02 -0.85 1.46 4.20 -1.69 -1.40 115.11 118.43 1ndo h GLN 594 Ca 0.07 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.45 1ndo h GLN 594 Cb 0.81 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 1ndo h GLN 594 CO 0.07 1.04 0.56 -0.07 -0.67 0.00 0.00 178.83 179.76 1ndo h LEU 595 N 0.91 0.96 -0.55 1.46 3.38 -0.84 -1.85 115.31 118.77 1ndo h LEU 595 Ca 0.15 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1ndo h LEU 595 Cb 0.61 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1ndo h LEU 595 CO 0.04 0.68 -0.14 0.11 0.09 0.00 0.00 178.44 179.22 1ndo h LYS 596 N 1.12 1.02 -0.69 1.13 1.57 -0.80 -0.04 116.57 119.88 1ndo h LYS 596 Ca 0.32 -0.39 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1ndo h LYS 596 Cb -0.07 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 1ndo h LYS 596 CO -0.08 1.08 0.44 0.28 -0.57 0.00 0.00 179.45 180.60 1ndo h VAL 597 N 0.90 1.11 -0.31 0.50 2.07 -0.53 0.22 116.25 120.21 1ndo h VAL 597 Ca 0.13 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1ndo h VAL 597 Cb 0.71 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1ndo h VAL 597 CO 0.05 0.16 -0.19 0.03 0.02 0.00 0.00 177.57 177.64 1ndo h ARG 598 N 0.86 0.57 -0.35 1.57 3.08 -0.47 -0.76 114.38 118.88 1ndo h ARG 598 Ca 0.27 -0.20 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 1ndo h ARG 598 Cb -0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1ndo h ARG 598 CO -0.10 0.74 -0.40 0.28 -1.07 0.00 0.00 179.97 179.42 1ndo h VAL 599 N 0.51 1.28 -0.47 2.04 2.07 -0.64 -1.50 116.25 119.55 1ndo h VAL 599 Ca 0.08 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1ndo h VAL 599 Cb 0.62 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1ndo h VAL 599 CO 0.04 0.52 0.21 -0.33 0.02 0.00 0.00 177.57 178.03 1ndo h GLU 600 N 0.69 0.69 -0.77 1.57 4.39 -0.55 -1.73 114.58 118.87 1ndo h GLU 600 Ca 0.05 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1ndo h GLU 600 Cb 0.98 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 1ndo h GLU 600 CO 0.09 0.61 0.51 1.25 -1.16 0.00 0.00 179.01 180.31 1ndo h HIS 601 N 0.62 0.94 -0.41 4.33 2.76 -0.86 -1.84 115.15 120.69 1ndo h HIS 601 Ca 0.16 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.26 1ndo h HIS 601 Cb 0.16 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1ndo h HIS 601 CO -0.00 0.58 -0.14 1.96 -1.30 0.00 0.00 177.93 179.03 1ndo h GLN 602 N 1.00 0.75 -0.01 5.26 1.08 -0.44 -3.16 115.11 119.59 1ndo h GLN 602 Ca 0.29 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1ndo h GLN 602 Cb -0.06 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1ndo h GLN 602 CO -0.07 0.85 -0.39 1.28 -0.95 0.00 0.00 178.83 179.55 1ndo n LEU 603 N -4.15 0.91 -4.74 1.46 4.77 -0.75 -4.88 117.00 109.61 1ndo n LEU 603 Ca 0.01 -0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.36 1ndo n LEU 603 Cb 0.38 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1ndo n LEU 603 CO 0.43 0.18 1.05 -0.62 -1.33 0.00 0.00 177.39 177.11 1ndo s ASP 604 N -2.69 6.76 0.18 -1.43 -1.08 -0.73 -4.91 116.67 112.77 1ndo s ASP 604 Ca 0.19 2.55 0.21 0.00 -0.52 0.00 0.00 52.55 54.97 1ndo s ASP 604 Cb 0.18 -2.62 0.87 0.00 -1.46 0.00 0.00 42.92 39.90 1ndo s ASP 604 CO 0.60 -0.63 1.64 -0.81 0.52 0.00 0.00 175.17 176.49 1ndo n PRO 605 N 2.49 0.13 -0.44 4.34 -0.04 -1.26 -1.02 135.00 139.21 1ndo n PRO 605 Ca 0.07 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 63.99 1ndo n PRO 605 Cb 0.41 -1.75 0.31 0.00 -0.04 0.00 0.00 33.50 32.43 1ndo n PRO 605 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ndo n GLN 606 N -2.01 2.95 -2.41 0.54 6.02 -1.26 -4.70 117.38 116.51 1ndo n GLN 606 Ca 0.03 -2.48 -0.37 0.00 -0.01 0.00 0.00 57.00 54.17 1ndo n GLN 606 Cb 0.21 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 1ndo n GLN 606 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ndo s ASN 607 N -0.94 6.12 0.53 1.08 3.84 -0.19 -4.81 114.94 120.58 1ndo s ASN 607 Ca 0.45 -1.39 0.20 0.00 0.21 0.00 0.00 52.86 52.33 1ndo s ASN 607 Cb 0.26 -2.57 1.36 0.00 -0.55 0.00 0.00 41.25 39.76 1ndo s ASN 607 CO 0.27 -1.86 2.12 -0.50 -2.79 0.00 0.00 177.10 174.34 1ndo h TRP 608 N 9.90 0.00 0.00 0.43 4.06 -1.87 -2.17 115.95 126.30 1ndo h TRP 608 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 1ndo h TRP 608 Cb 0.99 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 1ndo h TRP 608 CO 1.28 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 176.57 1ndo n GLY 609 N -1.54 -1.23 1.64 1.49 0.00 -1.26 -2.49 105.19 101.81 1ndo n GLY 609 Ca -0.00 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1ndo n GLY 609 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ndo n ASN 610 N -2.11 4.87 -3.90 1.61 3.02 -0.82 -4.84 115.26 113.09 1ndo n ASN 610 Ca 0.02 -2.74 -0.28 0.00 -0.03 0.00 0.00 54.58 51.55 1ndo n ASN 610 Cb 0.22 -0.65 -0.17 0.00 -0.61 0.00 0.00 39.78 38.58 1ndo n ASN 610 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ndo s SER 611 N -0.65 2.60 0.62 6.41 0.15 -1.04 -3.09 113.70 118.70 1ndo s SER 611 Ca 0.45 -0.53 -0.18 0.00 0.70 0.00 0.00 55.95 56.39 1ndo s SER 611 Cb 0.34 -0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 63.72 1ndo s SER 611 CO 0.14 -0.15 1.25 -2.16 1.20 0.00 0.00 173.24 173.51 1ndo s PRO 612 N 1.65 2.74 0.25 5.44 0.04 -1.26 -5.04 135.00 138.82 1ndo s PRO 612 Ca 0.02 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 1ndo s PRO 612 Cb -0.14 -1.88 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 1ndo s PRO 612 CO -0.08 -1.42 1.03 1.17 0.04 0.00 0.00 177.00 177.74 1ndo n LYS 613 N -1.79 1.25 -1.54 4.56 4.81 -1.18 -4.79 118.16 119.49 1ndo n LYS 613 Ca 0.15 0.44 -0.31 0.00 -0.87 0.00 0.00 58.31 57.71 1ndo n LYS 613 Cb 0.49 -1.83 0.06 0.00 0.02 0.00 0.00 35.03 33.77 1ndo n LYS 613 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ndo s LEU 614 N 0.64 3.17 -0.12 3.14 1.02 -1.26 -4.86 118.68 120.41 1ndo s LEU 614 Ca 0.63 1.76 0.02 0.00 0.02 0.00 0.00 54.13 56.55 1ndo s LEU 614 Cb -0.75 -4.52 0.02 0.00 0.02 0.00 0.00 46.19 40.96 1ndo s LEU 614 CO 0.57 -1.65 -0.16 -0.13 0.02 0.00 0.00 176.35 175.01 1ndo s ARG 615 N -4.77 2.30 -0.05 1.70 1.81 -0.59 -5.02 118.95 114.33 1ndo s ARG 615 Ca 0.61 -0.58 0.06 0.00 -1.72 0.00 0.00 55.73 54.09 1ndo s ARG 615 Cb -0.16 -1.97 -0.01 0.00 -0.45 0.00 0.00 34.95 32.36 1ndo s ARG 615 CO 0.52 -0.09 -0.24 -0.06 -0.68 0.00 0.00 175.30 174.75 1ndo s PHE 616 N 1.05 2.36 -0.04 -0.53 0.08 -1.26 -1.14 117.98 118.49 1ndo s PHE 616 Ca -0.05 -0.69 -0.01 0.00 0.12 0.00 0.00 56.93 56.31 1ndo s PHE 616 Cb -0.15 -1.55 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1ndo s PHE 616 CO -0.03 -0.20 0.02 0.99 -0.10 0.00 0.00 175.22 175.90 1ndo s THR 617 N -0.17 0.14 -0.07 0.64 2.01 -0.56 -4.73 115.64 112.89 1ndo s THR 617 Ca -0.03 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.20 1ndo s THR 617 Cb -0.13 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.06 1ndo s THR 617 CO 0.03 0.18 -0.15 -0.13 -0.69 0.00 0.00 174.62 173.87 1ndo s ARG 618 N 1.63 2.72 -0.26 4.92 0.52 -1.26 -0.86 118.95 126.35 1ndo s ARG 618 Ca -0.01 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 1ndo s ARG 618 Cb -0.13 -2.43 0.06 0.00 0.52 0.00 0.00 34.95 32.98 1ndo s ARG 618 CO -0.03 0.51 -0.11 -0.06 0.02 0.00 0.00 175.30 175.64 1ndo s PHE 619 N -0.44 3.28 -0.23 -0.53 0.40 0.62 -4.99 117.98 116.09 1ndo s PHE 619 Ca 0.05 -2.33 -0.07 0.00 -0.60 0.00 0.00 56.93 53.98 1ndo s PHE 619 Cb -0.12 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 1ndo s PHE 619 CO 0.02 -0.88 0.07 0.42 0.70 0.00 0.00 175.22 175.55 1ndo s ILE 620 N 1.10 4.45 0.29 0.64 -1.09 -1.26 -1.21 121.20 124.12 1ndo s ILE 620 Ca -0.09 -0.13 0.05 0.00 -2.23 0.00 0.00 60.65 58.25 1ndo s ILE 620 Cb -0.20 -3.06 -0.02 0.00 -1.58 0.00 0.00 42.46 37.60 1ndo s ILE 620 CO -0.05 0.37 0.17 0.35 -1.23 0.00 0.00 174.94 174.55 1ndo n THR 621 N 4.53 0.00 -3.49 2.92 -2.24 -0.14 -4.93 114.28 110.92 1ndo n THR 621 Ca -0.16 -1.90 -0.26 0.00 -2.27 0.00 0.00 64.05 59.46 1ndo n THR 621 Cb 0.52 0.82 0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1ndo n THR 621 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ndo n ASN 622 N -1.81 -4.52 -4.69 3.42 4.13 -1.26 -0.71 115.26 109.83 1ndo n ASN 622 Ca 0.01 -0.50 -0.42 0.00 1.68 0.00 0.00 54.58 55.34 1ndo n ASN 622 Cb 0.48 -3.68 -0.03 0.00 -1.54 0.00 0.00 39.78 35.02 1ndo n ASN 622 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ndo s VAL 623 N -3.10 3.04 -0.02 2.41 1.01 -1.26 -4.32 120.40 118.17 1ndo s VAL 623 Ca 0.47 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.98 1ndo s VAL 623 Cb -0.24 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1ndo s VAL 623 CO 0.58 -0.00 -0.18 -1.10 0.00 0.00 0.00 175.10 174.39 1ndo s GLN 624 N 2.76 1.56 -0.01 2.72 -0.21 0.41 -4.99 119.66 121.90 1ndo s GLN 624 Ca 0.74 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 55.48 1ndo s GLN 624 Cb -0.40 -1.48 -0.00 0.00 1.00 0.00 0.00 33.01 32.13 1ndo s GLN 624 CO 0.33 0.38 -0.05 0.00 -2.12 0.00 0.00 175.29 173.82 1ndo s ALA 625 N -0.37 0.42 -0.22 6.09 0.00 -1.26 -0.94 121.76 125.50 1ndo s ALA 625 Ca 0.05 -0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 1ndo s ALA 625 Cb -0.08 -0.12 0.06 0.00 0.00 0.00 0.00 23.12 22.99 1ndo s ALA 625 CO -0.00 0.10 0.56 0.00 0.00 0.00 0.00 175.76 176.41 1ndo s ALA 626 N -0.08 -1.42 0.40 0.00 0.00 -0.04 -4.71 121.76 115.92 1ndo s ALA 626 Ca 0.01 1.73 -0.25 0.00 0.00 0.00 0.00 51.96 53.46 1ndo s ALA 626 Cb -0.02 -1.02 -0.08 0.00 0.00 0.00 0.00 23.12 21.99 1ndo s ALA 626 CO -0.00 -0.29 1.18 -1.64 0.00 0.00 0.00 175.76 175.01 1ndo s MET 627 N 0.76 4.03 0.43 0.00 -1.94 -1.26 -0.61 119.30 120.70 1ndo s MET 627 Ca -0.04 1.85 -0.24 0.00 -1.71 0.00 0.00 55.69 55.55 1ndo s MET 627 Cb -0.05 -2.67 -0.08 0.00 2.01 0.00 0.00 34.83 34.05 1ndo s MET 627 CO -0.06 -0.34 1.18 0.34 -0.01 0.00 0.00 175.02 176.13 1ndo s ASP 628 N -1.12 6.34 0.11 3.03 2.15 -0.44 -4.84 116.67 121.90 1ndo s ASP 628 Ca 0.57 2.35 -0.16 0.00 0.43 0.00 0.00 52.55 55.74 1ndo s ASP 628 Cb -0.31 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.66 1ndo s ASP 628 CO 0.39 -0.80 1.58 0.58 -0.17 0.00 0.00 175.17 176.75 1ndo h VAL 629 N 2.13 1.24 0.05 1.11 2.07 -1.94 -3.37 116.25 117.54 1ndo h VAL 629 Ca -0.49 -0.87 -0.25 0.00 0.82 0.00 0.00 66.70 65.91 1ndo h VAL 629 Cb 1.24 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1ndo h VAL 629 CO 0.61 0.29 -1.32 0.78 0.02 0.00 0.00 177.57 177.95 1ndo h ASN 630 N 0.41 0.16 -3.02 0.57 2.35 -1.97 -3.43 115.58 110.65 1ndo h ASN 630 Ca 0.10 -0.71 -0.73 0.00 -0.55 0.00 0.00 56.30 54.42 1ndo h ASN 630 Cb 0.38 -0.05 -0.22 0.00 0.05 0.00 0.00 38.32 38.48 1ndo h ASN 630 CO 0.01 1.55 -0.05 -0.62 -1.65 0.00 0.00 177.43 176.66 1ndo s ASP 631 N -6.88 6.19 0.00 5.81 -1.08 -1.26 -4.92 116.67 114.53 1ndo s ASP 631 Ca -0.25 -1.56 0.18 0.00 -0.52 0.00 0.00 52.55 50.40 1ndo s ASP 631 Cb 0.05 -2.26 0.93 0.00 -1.46 0.00 0.00 42.92 40.18 1ndo s ASP 631 CO 0.67 -0.97 1.51 2.29 0.52 0.00 0.00 175.17 179.19 1ndo n LYS 632 N 5.81 0.32 0.00 4.34 2.85 -1.26 -1.47 118.16 128.75 1ndo n LYS 632 Ca -0.11 0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.35 1ndo n LYS 632 Cb 0.42 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.35 1ndo n LYS 632 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ndo n GLU 633 N -1.22 0.43 -3.50 -1.58 -0.58 -1.26 -4.91 120.64 108.02 1ndo n GLU 633 Ca 0.10 -0.32 -0.40 0.00 -0.42 0.00 0.00 57.16 56.11 1ndo n GLU 633 Cb 0.12 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.40 1ndo n GLU 633 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ndo s LEU 634 N -2.80 4.46 -0.22 -4.62 2.96 -0.54 -2.98 118.68 114.94 1ndo s LEU 634 Ca 0.14 -0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 53.63 1ndo s LEU 634 Cb 0.17 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1ndo s LEU 634 CO 0.71 -0.25 0.11 -0.22 -1.32 0.00 0.00 176.35 175.38 1ndo s LEU 635 N 1.81 3.87 -0.21 -0.68 2.96 0.60 -1.33 118.68 125.69 1ndo s LEU 635 Ca 0.08 0.04 -0.23 0.00 -0.22 0.00 0.00 54.13 53.79 1ndo s LEU 635 Cb -0.17 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 1ndo s LEU 635 CO 0.11 0.09 0.76 -1.00 -1.32 0.00 0.00 176.35 174.98 1ndo s HIS 636 N 0.91 3.35 -0.13 5.38 3.76 0.22 -0.60 115.29 128.19 1ndo s HIS 636 Ca 0.05 1.09 0.02 0.00 -0.15 0.00 0.00 55.06 56.07 1ndo s HIS 636 Cb -0.13 -2.96 0.02 0.00 1.11 0.00 0.00 32.58 30.61 1ndo s HIS 636 CO 0.03 -0.29 -0.17 0.42 -0.85 0.00 0.00 174.74 173.88 1ndo s ILE 637 N 2.38 1.65 -0.08 0.60 1.01 0.23 -0.86 121.20 126.13 1ndo s ILE 637 Ca 0.33 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1ndo s ILE 637 Cb -0.16 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1ndo s ILE 637 CO 0.10 0.47 -0.04 -0.60 0.00 0.00 0.00 174.94 174.87 1ndo s ARG 638 N 1.07 2.92 0.13 2.79 3.52 -0.11 0.39 118.95 129.66 1ndo s ARG 638 Ca -0.04 -0.48 -0.21 0.00 -0.13 0.00 0.00 55.73 54.87 1ndo s ARG 638 Cb -0.14 -2.70 0.06 0.00 -1.56 0.00 0.00 34.95 30.60 1ndo s ARG 638 CO -0.04 0.65 0.53 -1.54 -0.81 0.00 0.00 175.30 174.09 1ndo s SER 639 N -0.76 -0.45 0.04 -2.12 1.04 -0.91 -0.45 113.70 110.10 1ndo s SER 639 Ca 0.12 -0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.53 1ndo s SER 639 Cb -0.11 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1ndo s SER 639 CO 0.02 -0.89 -0.08 0.20 0.98 0.00 0.00 173.24 173.47 1ndo s ASN 640 N -2.63 4.52 -0.01 7.02 0.01 0.12 0.05 114.94 124.02 1ndo s ASN 640 Ca 0.01 -0.24 0.04 0.00 -0.71 0.00 0.00 52.86 51.96 1ndo s ASN 640 Cb -0.00 -0.98 -0.01 0.00 0.41 0.00 0.00 41.25 40.67 1ndo s ASN 640 CO -0.11 0.24 -0.13 0.54 -1.51 0.00 0.00 177.10 176.14 1ndo s VAL 641 N -1.08 1.03 -0.22 1.60 0.11 0.40 -0.97 120.40 121.27 1ndo s VAL 641 Ca 0.19 -0.55 -0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1ndo s VAL 641 Cb -0.11 -0.86 -0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1ndo s VAL 641 CO 0.10 0.29 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.48 1ndo s ILE 642 N -0.29 3.30 -0.21 7.04 1.01 -0.35 -1.10 121.20 130.60 1ndo s ILE 642 Ca 0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 1ndo s ILE 642 Cb -0.05 -2.51 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 1ndo s ILE 642 CO -0.00 0.41 -0.07 -0.22 0.00 0.00 0.00 174.94 175.05 1ndo s LEU 643 N 1.46 2.78 -0.23 2.97 0.20 -0.10 -0.27 118.68 125.49 1ndo s LEU 643 Ca 0.05 -0.42 -0.07 0.00 0.69 0.00 0.00 54.13 54.37 1ndo s LEU 643 Cb -0.14 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 1ndo s LEU 643 CO -0.04 -0.01 0.07 -2.28 -0.29 0.00 0.00 176.35 173.80 1ndo s HIS 644 N 1.42 3.13 -0.18 5.38 5.65 -0.04 -0.66 115.29 129.99 1ndo s HIS 644 Ca 0.05 -0.24 -0.01 0.00 0.25 0.00 0.00 55.06 55.11 1ndo s HIS 644 Cb -0.14 -2.19 0.01 0.00 -1.18 0.00 0.00 32.58 29.07 1ndo s HIS 644 CO -0.04 -0.20 -0.14 0.50 -0.65 0.00 0.00 174.74 174.21 1ndo s ARG 645 N 1.24 3.17 -0.01 2.88 3.52 0.16 -1.50 118.95 128.41 1ndo s ARG 645 Ca 0.05 -0.75 0.08 0.00 -0.13 0.00 0.00 55.73 54.98 1ndo s ARG 645 Cb -0.14 -2.71 -0.02 0.00 -1.56 0.00 0.00 34.95 30.51 1ndo s ARG 645 CO 0.04 -0.14 -0.25 0.00 -0.81 0.00 0.00 175.30 174.13 1ndo s ALA 646 N 1.21 2.08 0.11 6.12 0.00 -0.29 -1.18 121.76 129.82 1ndo s ALA 646 Ca 0.02 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 1ndo s ALA 646 Cb -0.14 -0.52 0.07 0.00 0.00 0.00 0.00 23.12 22.53 1ndo s ALA 646 CO -0.06 0.51 0.59 -0.98 0.00 0.00 0.00 175.76 175.82 1ndo s ARG 647 N -0.67 1.21 -1.43 0.00 1.70 -0.65 -1.54 118.95 117.58 1ndo s ARG 647 Ca 0.10 -0.34 -0.03 0.00 -0.47 0.00 0.00 55.73 54.98 1ndo s ARG 647 Cb -0.10 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 34.87 1ndo s ARG 647 CO -0.01 -0.50 0.53 0.54 -1.08 0.00 0.00 175.30 174.79 1ndo n ARG 648 N -0.09 -3.66 0.00 3.89 1.74 -1.26 -1.92 116.66 115.35 1ndo n ARG 648 Ca -0.17 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1ndo n ARG 648 Cb 0.63 -4.75 0.00 0.00 -1.02 0.00 0.00 32.46 27.32 1ndo n ARG 648 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ndo n GLY 649 N -1.84 2.27 0.49 -0.13 0.00 -1.26 -4.26 105.19 100.46 1ndo n GLY 649 Ca -0.24 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.70 1ndo n GLY 649 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ndo n ASN 650 N 4.53 1.57 -4.61 1.61 0.23 -1.24 -5.02 115.26 112.33 1ndo n ASN 650 Ca 0.00 -3.00 -0.38 0.00 -0.53 0.00 0.00 54.58 50.67 1ndo n ASN 650 Cb 0.00 -0.40 -0.10 0.00 -2.08 0.00 0.00 39.78 37.20 1ndo n ASN 650 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1ndo s GLN 651 N -2.10 4.01 -0.06 -3.83 0.74 -0.81 -5.02 119.66 112.60 1ndo s GLN 651 Ca 0.28 -0.10 -0.01 0.00 0.05 0.00 0.00 55.36 55.59 1ndo s GLN 651 Cb 0.27 -3.64 0.03 0.00 1.10 0.00 0.00 33.01 30.77 1ndo s GLN 651 CO -0.03 -0.19 0.00 0.08 -0.55 0.00 0.00 175.29 174.60 1ndo s VAL 652 N 1.81 0.31 -0.04 1.34 1.01 -1.26 -1.63 120.40 121.94 1ndo s VAL 652 Ca 0.12 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1ndo s VAL 652 Cb -0.16 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1ndo s VAL 652 CO 0.10 0.23 -0.08 -1.81 0.00 0.00 0.00 175.10 173.53 1ndo s ASP 653 N 1.70 1.28 -0.11 3.32 1.01 -0.32 -5.00 116.67 118.55 1ndo s ASP 653 Ca 0.00 -0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.08 1ndo s ASP 653 Cb -0.13 -0.52 0.01 0.00 1.01 0.00 0.00 42.92 43.30 1ndo s ASP 653 CO -0.04 0.01 -0.16 -0.69 0.21 0.00 0.00 175.17 174.51 1ndo s VAL 654 N 0.59 1.52 0.05 -1.27 1.01 -1.26 -0.66 120.40 120.37 1ndo s VAL 654 Ca -0.10 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1ndo s VAL 654 Cb -0.13 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1ndo s VAL 654 CO 0.01 0.44 -0.08 -0.36 0.00 0.00 0.00 175.10 175.12 1ndo s PHE 655 N 0.92 2.84 -0.05 5.22 0.40 0.17 -4.96 117.98 122.52 1ndo s PHE 655 Ca -0.08 -0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1ndo s PHE 655 Cb -0.15 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.86 1ndo s PHE 655 CO -0.01 0.39 -0.05 0.71 0.70 0.00 0.00 175.22 176.96 1ndo s TYR 656 N -1.10 0.84 0.15 0.36 1.51 -1.26 -0.93 117.35 116.92 1ndo s TYR 656 Ca 0.19 -0.25 -0.24 0.00 -1.01 0.00 0.00 57.07 55.76 1ndo s TYR 656 Cb -0.11 -0.72 0.06 0.00 -0.11 0.00 0.00 41.96 41.08 1ndo s TYR 656 CO 0.11 -0.20 0.76 0.00 -1.11 0.00 0.00 175.55 175.10 1ndo s ALA 657 N 0.90 -1.57 -0.16 3.71 0.00 -0.26 -4.54 121.76 119.85 1ndo s ALA 657 Ca -0.11 0.35 -0.06 0.00 0.00 0.00 0.00 51.96 52.14 1ndo s ALA 657 Cb -0.14 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1ndo s ALA 657 CO 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 175.76 174.95 1ndo s ALA 658 N -3.56 3.41 -0.19 0.00 0.00 -1.26 -0.45 121.76 119.71 1ndo s ALA 658 Ca 0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 1ndo s ALA 658 Cb -0.02 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 1ndo s ALA 658 CO -0.04 0.30 -0.07 1.03 0.00 0.00 0.00 175.76 176.97 1ndo s ARG 659 N -0.00 3.38 -0.47 0.00 0.52 0.11 -4.35 118.95 118.14 1ndo s ARG 659 Ca 0.06 -0.64 -0.16 0.00 -0.52 0.00 0.00 55.73 54.47 1ndo s ARG 659 Cb -0.12 -2.88 0.07 0.00 0.52 0.00 0.00 34.95 32.53 1ndo s ARG 659 CO 0.01 -0.06 0.39 -1.21 0.02 0.00 0.00 175.30 174.45 1ndo s GLU 660 N 1.09 2.98 0.28 3.54 2.02 -0.32 -2.13 118.70 126.16 1ndo s GLU 660 Ca 0.01 -1.29 0.08 0.00 0.02 0.00 0.00 54.97 53.79 1ndo s GLU 660 Cb -0.15 -4.11 -0.04 0.00 0.10 0.00 0.00 34.13 29.93 1ndo s GLU 660 CO -0.01 -1.00 0.11 -0.51 0.02 0.00 0.00 175.26 173.87 1ndo s ASP 661 N 2.48 4.96 -0.08 -0.19 1.01 0.16 -0.89 116.67 124.12 1ndo s ASP 661 Ca 0.04 -0.51 -0.00 0.00 0.71 0.00 0.00 52.55 52.79 1ndo s ASP 661 Cb -0.23 -1.03 0.02 0.00 1.01 0.00 0.00 42.92 42.69 1ndo s ASP 661 CO 0.07 -0.08 -0.04 -0.54 0.21 0.00 0.00 175.17 174.79 1ndo s LYS 662 N -3.78 1.05 -0.08 8.23 1.02 0.17 -0.60 119.74 125.76 1ndo s LYS 662 Ca 0.34 -0.09 0.05 0.00 0.02 0.00 0.00 55.97 56.29 1ndo s LYS 662 Cb -0.06 -1.21 -0.01 0.00 -0.52 0.00 0.00 37.83 36.03 1ndo s LYS 662 CO 0.23 -0.24 -0.24 -1.58 -0.92 0.00 0.00 175.35 172.59 1ndo s TRP 663 N 1.65 2.48 -0.03 3.18 0.52 0.23 0.24 118.94 127.20 1ndo s TRP 663 Ca 0.02 -0.86 0.03 0.00 0.02 0.00 0.00 56.10 55.30 1ndo s TRP 663 Cb -0.13 -1.64 0.00 0.00 -1.15 0.00 0.00 33.47 30.55 1ndo s TRP 663 CO -0.05 -0.31 -0.11 0.21 0.02 0.00 0.00 176.95 176.71 1ndo s LYS 664 N 0.06 1.17 0.12 4.98 2.20 0.88 -0.29 119.74 128.86 1ndo s LYS 664 Ca -0.10 -0.38 -0.31 0.00 -0.36 0.00 0.00 55.97 54.81 1ndo s LYS 664 Cb -0.16 -1.07 -0.10 0.00 -1.51 0.00 0.00 37.83 35.00 1ndo s LYS 664 CO 0.06 0.15 1.71 1.03 -0.36 0.00 0.00 175.35 177.93 1ndo s ARG 665 N 0.15 4.17 0.00 4.03 0.52 -1.16 -1.16 118.95 125.50 1ndo s ARG 665 Ca -0.03 2.46 0.00 0.00 -0.52 0.00 0.00 55.73 57.64 1ndo s ARG 665 Cb -0.09 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.92 1ndo s ARG 665 CO 0.01 -0.75 0.00 0.41 0.02 0.00 0.00 175.30 174.99 1ndo n GLY 666 N 4.03 3.50 3.85 -3.53 0.00 -0.64 -4.94 105.19 107.46 1ndo n GLY 666 Ca 0.16 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 1ndo n GLY 666 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ndo s GLU 667 N 4.81 3.88 0.00 1.61 -6.30 -1.26 -3.49 118.70 117.95 1ndo s GLU 667 Ca 0.00 0.35 0.00 0.00 -2.50 0.00 0.00 54.97 52.82 1ndo s GLU 667 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 34.13 31.11 1ndo s GLU 667 CO 0.00 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.25 1ndo n GLY 668 N 1.05 1.30 1.63 -1.50 0.00 -1.26 -3.86 105.19 102.54 1ndo n GLY 668 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ndo n GLY 668 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ndo n GLY 669 N -1.75 0.56 3.62 -0.02 0.00 -1.23 -5.01 105.19 101.35 1ndo n GLY 669 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1ndo n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ndo s VAL 670 N -2.00 4.80 -0.14 1.61 1.01 -1.25 -4.78 120.40 119.64 1ndo s VAL 670 Ca 0.00 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.92 1ndo s VAL 670 Cb 0.00 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1ndo s VAL 670 CO 0.00 -0.22 1.50 -0.60 0.00 0.00 0.00 175.10 175.77 1ndo s ARG 671 N 2.94 4.09 0.10 2.72 6.06 -1.26 -1.62 118.95 131.98 1ndo s ARG 671 Ca 0.33 1.84 0.08 0.00 -2.50 0.00 0.00 55.73 55.47 1ndo s ARG 671 Cb -0.14 -3.92 -0.03 0.00 0.06 0.00 0.00 34.95 30.91 1ndo s ARG 671 CO 0.12 -0.92 -0.20 0.15 -2.50 0.00 0.00 175.30 171.95 1ndo s LYS 672 N 4.02 1.09 0.09 5.12 1.02 -0.31 -4.85 119.74 125.92 1ndo s LYS 672 Ca 0.66 -1.15 -0.31 0.00 0.02 0.00 0.00 55.97 55.19 1ndo s LYS 672 Cb -0.27 -1.31 -0.08 0.00 -0.52 0.00 0.00 37.83 35.65 1ndo s LYS 672 CO 0.24 0.30 1.58 -1.17 -0.92 0.00 0.00 175.35 175.38 1ndo s LEU 673 N -1.92 4.36 0.00 3.17 2.96 0.25 -0.09 118.68 127.42 1ndo s LEU 673 Ca 0.06 2.47 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 1ndo s LEU 673 Cb -0.10 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1ndo s LEU 673 CO 0.04 -0.83 0.00 0.52 -1.32 0.00 0.00 176.35 174.76 1ndo n VAL 674 N 4.46 0.00 -3.73 1.68 0.31 0.14 0.64 118.33 121.82 1ndo n VAL 674 Ca 0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.36 1ndo n VAL 674 Cb 0.40 0.29 -0.11 0.00 -0.91 0.00 0.00 33.84 33.51 1ndo n VAL 674 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ndo s GLN 675 N -1.97 0.34 -0.05 5.55 0.74 -0.83 -1.63 119.66 121.82 1ndo s GLN 675 Ca 0.00 0.59 0.04 0.00 0.05 0.00 0.00 55.36 56.04 1ndo s GLN 675 Cb 0.00 0.04 -0.00 0.00 1.10 0.00 0.00 33.01 34.15 1ndo s GLN 675 CO 0.00 -0.11 -0.17 0.50 -0.55 0.00 0.00 175.29 174.96 1ndo s ARG 676 N 0.85 1.82 -0.08 1.67 3.52 -0.46 -0.65 118.95 125.63 1ndo s ARG 676 Ca -0.06 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 1ndo s ARG 676 Cb -0.06 -1.55 0.02 0.00 -1.56 0.00 0.00 34.95 31.79 1ndo s ARG 676 CO -0.06 0.21 -0.10 0.12 -0.81 0.00 0.00 175.30 174.65 1ndo s PHE 677 N 0.15 1.41 -0.05 5.12 5.36 -0.07 -0.95 117.98 128.94 1ndo s PHE 677 Ca -0.06 -0.57 0.03 0.00 -0.96 0.00 0.00 56.93 55.36 1ndo s PHE 677 Cb -0.12 -1.09 0.01 0.00 -0.34 0.00 0.00 43.02 41.48 1ndo s PHE 677 CO 0.03 -0.34 -0.13 0.08 -1.46 0.00 0.00 175.22 173.39 1ndo s VAL 678 N 1.01 1.18 -0.81 3.12 1.01 -0.23 -1.18 120.40 124.50 1ndo s VAL 678 Ca -0.08 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1ndo s VAL 678 Cb -0.15 -1.05 0.21 0.00 0.00 0.00 0.00 36.38 35.40 1ndo s VAL 678 CO -0.00 0.36 0.72 -0.62 0.00 0.00 0.00 175.10 175.55 1ndo s ASP 679 N 0.38 6.34 -0.04 3.32 -1.08 -1.26 0.09 116.67 124.43 1ndo s ASP 679 Ca -0.09 -2.94 -0.35 0.00 -0.52 0.00 0.00 52.55 48.65 1ndo s ASP 679 Cb -0.13 -2.09 -0.13 0.00 -1.46 0.00 0.00 42.92 39.11 1ndo s ASP 679 CO 0.03 -0.45 1.75 0.00 0.52 0.00 0.00 175.17 177.02 1ndo n TYR 680 N 3.54 2.22 0.13 -5.34 9.36 -0.46 -4.83 117.16 121.77 1ndo n TYR 680 Ca 0.14 0.18 -0.01 0.00 3.32 0.00 0.00 57.90 61.53 1ndo n TYR 680 Cb 0.43 -2.58 0.20 0.00 -0.63 0.00 0.00 39.34 36.75 1ndo n TYR 680 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1ndo h PRO 681 N 7.75 0.06 -5.36 2.98 0.13 -1.89 -3.42 132.00 132.25 1ndo h PRO 681 Ca -0.47 -0.04 -0.61 0.00 -0.87 0.00 0.00 66.00 64.01 1ndo h PRO 681 Cb 1.28 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.29 1ndo h PRO 681 CO 0.92 0.61 -0.19 -1.21 -0.23 0.00 0.00 178.00 177.90 1ndo s GLU 682 N -3.77 4.13 0.12 0.86 2.02 -1.26 -4.99 118.70 115.81 1ndo s GLU 682 Ca -0.02 0.18 -0.13 0.00 0.02 0.00 0.00 54.97 55.02 1ndo s GLU 682 Cb 0.13 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1ndo s GLU 682 CO 0.76 -0.12 1.50 -0.09 0.02 0.00 0.00 175.26 177.33 1ndo h ARG 683 N 7.61 0.79 -4.87 1.61 9.65 -1.92 -3.40 114.38 123.86 1ndo h ARG 683 Ca -0.34 -0.35 -0.66 0.00 -1.10 0.00 0.00 59.98 57.53 1ndo h ARG 683 Cb 1.16 -0.02 -0.21 0.00 -1.39 0.00 0.00 29.97 29.50 1ndo h ARG 683 CO 0.70 0.97 -0.57 0.42 2.80 0.00 0.00 179.97 184.29 1ndo s ILE 684 N -4.62 4.65 0.33 1.20 1.01 -1.26 -4.99 121.20 117.50 1ndo s ILE 684 Ca -0.12 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.04 1ndo s ILE 684 Cb 0.10 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 39.21 1ndo s ILE 684 CO 0.83 0.20 1.16 -0.76 0.00 0.00 0.00 174.94 176.38 1ndo s LEU 685 N 1.65 4.42 -0.19 2.97 1.43 -1.26 -4.92 118.68 122.78 1ndo s LEU 685 Ca 0.06 2.38 0.13 0.00 -1.03 0.00 0.00 54.13 55.66 1ndo s LEU 685 Cb -0.16 -3.75 0.42 0.00 0.03 0.00 0.00 46.19 42.73 1ndo s LEU 685 CO 0.06 -0.37 1.21 0.00 0.23 0.00 0.00 176.35 177.48 1ndo n GLN 686 N 0.78 1.42 -0.09 1.70 1.13 -1.26 -4.66 117.38 116.40 1ndo n GLN 686 Ca 0.01 -3.17 0.10 0.00 -1.94 0.00 0.00 57.00 51.99 1ndo n GLN 686 Cb 0.45 -1.44 0.14 0.00 0.11 0.00 0.00 30.24 29.49 1ndo n GLN 686 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1ndo n THR 687 N -0.94 1.89 0.00 5.09 -2.24 -1.26 -4.97 114.28 111.84 1ndo n THR 687 Ca 0.18 -2.21 0.00 0.00 -2.27 0.00 0.00 64.05 59.75 1ndo n THR 687 Cb 0.74 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1ndo n THR 687 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ndo n HIS 688 N -1.36 0.00 -3.83 4.78 8.25 -1.26 -4.78 115.22 117.02 1ndo n HIS 688 Ca 0.16 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.55 1ndo n HIS 688 Cb 0.64 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.77 1ndo n HIS 688 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ndo s ASN 689 N 0.00 0.00 -0.29 0.41 2.20 -1.26 -5.05 114.94 110.95 1ndo s ASN 689 Ca 0.00 -1.00 0.07 0.00 -0.94 0.00 0.00 52.86 50.99 1ndo s ASN 689 Cb 0.00 0.75 0.46 0.00 -2.00 0.00 0.00 41.25 40.45 1ndo s ASN 689 CO 0.00 -1.48 1.23 -0.11 -2.94 0.00 0.00 177.10 173.80 1ndo n LEU 690 N -0.58 4.74 -2.33 3.54 7.94 -1.26 -4.90 117.00 124.15 1ndo n LEU 690 Ca -0.07 -4.61 -0.19 0.00 -1.11 0.00 0.00 56.01 50.03 1ndo n LEU 690 Cb 0.60 -0.39 -0.13 0.00 0.53 0.00 0.00 43.42 44.03 1ndo n LEU 690 CO 0.25 1.99 1.96 0.23 -1.11 0.00 0.00 177.39 180.71 1ndo n MET 691 N -0.78 2.42 -4.21 1.96 2.81 -1.26 -4.82 117.12 113.24 1ndo n MET 691 Ca 0.41 -1.42 -0.14 0.00 -1.81 0.00 0.00 57.70 54.74 1ndo n MET 691 Cb 0.93 -2.18 -0.10 0.00 -0.71 0.00 0.00 33.22 31.15 1ndo n MET 691 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ndo s VAL 692 N 0.83 1.05 -0.40 2.03 -7.23 -1.26 -5.11 120.40 110.30 1ndo s VAL 692 Ca 0.66 -1.88 -0.21 0.00 -1.81 0.00 0.00 61.98 58.75 1ndo s VAL 692 Cb 0.30 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.62 1ndo s VAL 692 CO -0.04 -0.67 0.66 -0.36 -0.31 0.00 0.00 175.10 174.38 1ndo s PHE 693 N -2.97 3.09 -2.07 2.82 0.08 -1.26 -5.16 117.98 112.51 1ndo s PHE 693 Ca 0.12 0.14 0.31 0.00 0.12 0.00 0.00 56.93 57.62 1ndo s PHE 693 Cb 0.00 -3.30 1.79 0.00 -0.57 0.00 0.00 43.02 40.95 1ndo s PHE 693 CO -0.00 -0.78 2.16 1.28 -0.10 0.00 0.00 175.22 177.78