#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 5.03 -0.52 3.17 -1.09 -1.26 -5.02 121.20 121.52 1ndo s ILE 503 Ca 0.00 1.44 -0.16 0.00 -2.23 0.00 0.00 60.65 59.70 1ndo s ILE 503 Cb 0.00 -4.04 0.11 0.00 -1.58 0.00 0.00 42.46 36.95 1ndo s ILE 503 CO 0.00 0.22 0.47 0.21 -1.23 0.00 0.00 174.94 174.60 1ndo s ASN 504 N 0.86 6.17 0.00 3.58 3.84 -1.26 -4.93 114.94 123.21 1ndo s ASN 504 Ca 0.37 -1.60 0.26 0.00 0.21 0.00 0.00 52.86 52.10 1ndo s ASN 504 Cb -0.17 -2.20 1.37 0.00 -0.55 0.00 0.00 41.25 39.69 1ndo s ASN 504 CO 0.17 -0.78 1.89 2.30 -2.79 0.00 0.00 177.10 177.88 1ndo n ILE 505 N 5.24 0.13 0.04 -5.21 -5.35 -1.26 0.43 119.36 113.38 1ndo n ILE 505 Ca -0.13 0.03 -0.09 0.00 -0.27 0.00 0.00 62.75 62.29 1ndo n ILE 505 Cb 0.41 -0.61 -0.13 0.00 -1.74 0.00 0.00 39.64 37.58 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 0.03 0.05 6.28 4.20 -1.95 -3.36 115.11 120.36 1ndo h GLN 506 Ca 0.00 -0.05 -0.29 0.00 0.06 0.00 0.00 58.65 58.36 1ndo h GLN 506 Cb 0.18 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1ndo h GLN 506 CO 0.00 0.88 -1.60 0.39 -0.67 0.00 0.00 178.83 177.83 1ndo n GLU 507 N -3.28 0.64 -2.81 1.46 1.02 -0.69 -4.56 120.64 112.42 1ndo n GLU 507 Ca -0.06 0.44 -0.43 0.00 -0.02 0.00 0.00 57.16 57.08 1ndo n GLU 507 Cb 0.98 -1.72 -0.01 0.00 -0.02 0.00 0.00 31.44 30.67 1ndo n GLU 507 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ndo s ASP 508 N -6.95 6.91 0.32 1.62 -1.08 0.17 -4.83 116.67 112.83 1ndo s ASP 508 Ca -0.27 -2.62 0.25 0.00 -0.52 0.00 0.00 52.55 49.40 1ndo s ASP 508 Cb 0.06 -2.46 1.10 0.00 -1.46 0.00 0.00 42.92 40.16 1ndo s ASP 508 CO 0.66 -0.96 1.76 0.11 0.52 0.00 0.00 175.17 177.26 1ndo h LYS 509 N 7.65 0.00 0.00 4.34 1.57 -1.80 -2.47 116.57 125.86 1ndo h LYS 509 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 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 1.30 0.00 -0.50 1.28 -0.57 0.00 0.00 179.45 180.96 1ndo n LEU 510 N -2.39 0.50 -4.75 2.94 4.77 -1.26 -4.93 117.00 111.89 1ndo n LEU 510 Ca 0.01 0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.68 1ndo n LEU 510 Cb 0.21 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1ndo n LEU 510 CO 0.20 0.08 0.40 -0.69 -1.33 0.00 0.00 177.39 176.04 1ndo s VAL 511 N -3.04 4.81 0.57 4.08 1.01 -0.93 -5.05 120.40 121.85 1ndo s VAL 511 Ca 0.10 1.47 -0.10 0.00 0.00 0.00 0.00 61.98 63.45 1ndo s VAL 511 Cb 0.17 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1ndo s VAL 511 CO 0.69 0.38 0.96 -0.94 0.00 0.00 0.00 175.10 176.20 1ndo s SER 512 N -0.09 6.27 0.18 3.32 1.04 -1.26 -4.92 113.70 118.24 1ndo s SER 512 Ca 0.35 1.30 -0.12 0.00 0.48 0.00 0.00 55.95 57.97 1ndo s SER 512 Cb -0.19 -2.41 0.09 0.00 0.10 0.00 0.00 66.02 63.60 1ndo s SER 512 CO 0.20 -0.77 1.77 0.00 0.98 0.00 0.00 173.24 175.42 1ndo h ALA 513 N -0.06 0.79 -0.25 5.32 0.00 -1.99 -0.92 119.26 122.15 1ndo h ALA 513 Ca -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ndo h ALA 513 Cb 1.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1ndo h ALA 513 CO 0.62 0.34 0.16 1.25 0.00 0.00 0.00 179.25 181.62 1ndo h HIS 514 N 0.83 0.32 -0.82 0.00 -0.00 -2.00 -1.30 115.15 112.18 1ndo h HIS 514 Ca 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 1ndo h HIS 514 Cb 0.11 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.38 1ndo h HIS 514 CO -0.00 0.21 0.39 -0.44 -0.00 0.00 0.00 177.93 178.09 1ndo h ASP 515 N 0.33 1.08 -0.33 3.26 3.32 -1.83 -2.29 116.42 119.95 1ndo h ASP 515 Ca 0.09 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.05 1ndo h ASP 515 Cb -0.02 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.20 1ndo h ASP 515 CO -0.02 0.92 0.05 0.00 -1.72 0.00 0.00 179.24 178.46 1ndo h ALA 516 N 1.20 0.34 -0.29 3.45 0.00 -0.92 -2.40 119.26 120.64 1ndo h ALA 516 Ca 0.28 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1ndo h ALA 516 Cb 0.13 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1ndo h ALA 516 CO -0.03 -0.36 0.04 0.93 0.00 0.00 0.00 179.25 179.82 1ndo h GLU 517 N 0.16 0.13 -0.86 0.00 5.08 -0.80 -2.56 114.58 115.72 1ndo h GLU 517 Ca 0.16 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1ndo h GLU 517 Cb 0.19 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1ndo h GLU 517 CO -0.22 0.09 0.52 0.93 -1.00 0.00 0.00 179.01 179.32 1ndo h GLU 518 N 0.13 1.18 -0.22 2.33 4.39 -1.21 -2.27 114.58 118.91 1ndo h GLU 518 Ca 0.14 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1ndo h GLU 518 Cb 0.16 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1ndo h GLU 518 CO -0.20 0.83 -0.38 0.97 -1.16 0.00 0.00 179.01 179.06 1ndo h ILE 519 N 1.19 1.30 -0.99 3.13 2.10 -1.24 -2.80 117.51 120.20 1ndo h ILE 519 Ca 0.31 -1.52 0.12 0.00 1.08 0.00 0.00 64.86 64.85 1ndo h ILE 519 Cb -0.04 1.55 -0.08 0.00 -1.09 0.00 0.00 36.82 37.15 1ndo h ILE 519 CO -0.06 0.48 0.62 0.25 -1.08 0.00 0.00 178.15 178.36 1ndo h LEU 520 N 0.41 0.90 -1.45 2.19 5.85 -1.01 0.05 115.31 122.25 1ndo h LEU 520 Ca 0.04 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1ndo h LEU 520 Cb 0.86 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1ndo h LEU 520 CO 0.07 0.48 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.31 1ndo h ARG 521 N 0.97 0.03 0.00 1.25 2.43 -1.19 -3.31 114.38 114.56 1ndo h ARG 521 Ca 0.48 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.52 1ndo h ARG 521 Cb 0.49 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1ndo h ARG 521 CO -0.25 0.28 -1.92 1.19 -1.51 0.00 0.00 179.97 177.77 1ndo n PHE 522 N -4.23 0.00 0.24 2.20 3.72 -0.43 -4.40 117.46 114.57 1ndo n PHE 522 Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.47 1ndo n PHE 522 Cb 0.31 -0.56 0.62 0.00 -0.94 0.00 0.00 39.48 38.91 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 -1.13 -3.33 116.94 112.86 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 1.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.86 1ndo h PHE 523 CO 0.00 0.16 0.00 0.09 -1.61 0.00 0.00 178.31 176.95 1ndo n ASN 524 N -3.97 0.00 -4.59 2.17 3.02 -1.25 -4.84 115.26 105.80 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 0.24 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 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 9.76 3.92 -1.82 0.00 8.25 -1.26 -4.67 115.22 129.39 1ndo n HIS 526 Ca 0.17 -3.82 -0.42 0.00 -0.26 0.00 0.00 57.72 53.39 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 -3.27 6.52 0.26 0.41 -1.08 -1.26 -4.94 116.67 113.31 1ndo s ASP 527 Ca 0.48 2.60 -0.03 0.00 -0.52 0.00 0.00 52.55 55.08 1ndo s ASP 527 Cb 0.28 -2.56 0.36 0.00 -1.46 0.00 0.00 42.92 39.54 1ndo s ASP 527 CO -0.14 -0.95 1.91 0.28 0.52 0.00 0.00 175.17 176.78 1ndo h SER 528 N 8.64 1.07 0.11 -0.34 0.02 -1.99 -1.47 113.55 119.60 1ndo h SER 528 Ca -0.44 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.37 1ndo h SER 528 Cb 1.21 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1ndo h SER 528 CO 0.94 0.72 -0.47 0.00 -1.14 0.00 0.00 176.83 176.88 1ndo h ALA 529 N 1.43 0.88 -0.45 3.77 0.00 -2.00 -2.54 119.26 120.35 1ndo h ALA 529 Ca 0.40 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1ndo h ALA 529 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ndo h ALA 529 CO -0.13 0.66 -0.14 1.25 0.00 0.00 0.00 179.25 180.89 1ndo h LEU 530 N 0.34 0.90 -0.44 0.00 5.85 -1.75 -1.73 115.31 118.48 1ndo h LEU 530 Ca 0.02 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1ndo h LEU 530 Cb 0.96 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1ndo h LEU 530 CO 0.08 1.07 0.28 1.56 -0.34 0.00 0.00 178.44 181.10 1ndo h GLN 531 N 0.73 0.59 -0.32 1.25 1.08 -1.19 0.17 115.11 117.42 1ndo h GLN 531 Ca 0.11 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 1ndo h GLN 531 Cb 0.69 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1ndo h GLN 531 CO 0.05 0.41 -0.19 0.37 -0.95 0.00 0.00 178.83 178.52 1ndo h GLN 532 N 0.60 0.69 -0.10 1.46 4.15 -1.45 -0.09 115.11 120.36 1ndo h GLN 532 Ca 0.16 -0.32 0.01 0.00 0.77 0.00 0.00 58.65 59.28 1ndo h GLN 532 Cb -0.04 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1ndo h GLN 532 CO -0.03 0.92 0.01 1.49 -1.93 0.00 0.00 178.83 179.29 1ndo h GLU 533 N 0.45 0.05 -0.57 1.69 4.81 -0.95 -1.38 114.58 118.67 1ndo h GLU 533 Ca 0.07 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1ndo h GLU 533 Cb 0.74 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 1ndo h GLU 533 CO 0.05 0.03 0.29 0.00 -0.73 0.00 0.00 179.01 178.66 1ndo h ALA 534 N 1.08 0.75 -0.40 2.92 0.00 -0.39 -0.01 119.26 123.21 1ndo h ALA 534 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ndo h ALA 534 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ndo h ALA 534 CO -0.06 -0.06 0.21 1.15 0.00 0.00 0.00 179.25 180.49 1ndo h THR 535 N 0.55 1.16 -0.10 0.00 2.02 -0.83 -1.50 112.91 114.21 1ndo h THR 535 Ca 0.26 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1ndo h THR 535 Cb 0.18 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1ndo h THR 535 CO -0.18 0.16 0.04 0.74 0.37 0.00 0.00 175.52 176.65 1ndo h THR 536 N 0.51 1.14 -0.30 3.16 2.02 -0.87 -0.82 112.91 117.74 1ndo h THR 536 Ca 0.14 -0.41 0.06 0.00 0.77 0.00 0.00 66.41 66.97 1ndo h THR 536 Cb 0.08 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 1ndo h THR 536 CO -0.02 0.12 -0.09 -0.07 0.37 0.00 0.00 175.52 175.83 1ndo h LEU 537 N 0.02 -0.32 -0.45 2.58 3.38 -0.69 -1.44 115.31 118.39 1ndo h LEU 537 Ca 0.03 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1ndo h LEU 537 Cb 0.16 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ndo h LEU 537 CO -0.00 -0.12 -0.46 -0.07 0.09 0.00 0.00 178.44 177.88 1ndo h LEU 538 N -0.02 0.85 -0.73 1.67 3.38 -1.19 -1.63 115.31 117.64 1ndo h LEU 538 Ca 0.15 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1ndo h LEU 538 Cb 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ndo h LEU 538 CO -0.32 1.17 0.13 0.74 0.09 0.00 0.00 178.44 180.26 1ndo h THR 539 N 0.62 1.26 -0.13 0.22 2.02 -1.02 0.21 112.91 116.10 1ndo h THR 539 Ca 0.04 -1.01 -0.20 0.00 0.77 0.00 0.00 66.41 66.01 1ndo h THR 539 Cb 1.03 0.60 0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1ndo h THR 539 CO 0.10 0.38 -0.69 1.56 0.37 0.00 0.00 175.52 177.24 1ndo h GLN 540 N 1.04 0.69 -0.67 6.66 4.20 -1.19 -1.41 115.11 124.43 1ndo h GLN 540 Ca 0.21 -0.57 0.05 0.00 0.06 0.00 0.00 58.65 58.39 1ndo h GLN 540 Cb 0.41 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 1ndo h GLN 540 CO 0.01 1.19 0.39 1.49 -0.67 0.00 0.00 178.83 181.24 1ndo h GLU 541 N 0.38 0.72 -0.63 1.46 4.81 -0.79 -1.54 114.58 118.99 1ndo h GLU 541 Ca -0.05 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1ndo h GLU 541 Cb 1.33 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 1ndo h GLU 541 CO 0.14 0.47 0.18 0.00 -0.73 0.00 0.00 179.01 179.08 1ndo h ALA 542 N 1.32 1.14 -0.30 2.92 0.00 -0.47 -1.63 119.26 122.24 1ndo h ALA 542 Ca 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ndo h ALA 542 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ndo h ALA 542 CO -0.15 0.59 0.17 1.25 0.00 0.00 0.00 179.25 181.11 1ndo h HIS 543 N 0.93 0.42 -0.55 0.00 -0.00 -0.99 0.65 115.15 115.61 1ndo h HIS 543 Ca 0.21 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1ndo h HIS 543 Cb 0.29 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.54 1ndo h HIS 543 CO 0.02 0.35 0.31 -0.07 -0.00 0.00 0.00 177.93 178.53 1ndo h LEU 544 N 0.37 0.69 -0.31 0.26 3.38 -0.85 -2.57 115.31 116.29 1ndo h LEU 544 Ca 0.11 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1ndo h LEU 544 Cb 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ndo h LEU 544 CO -0.02 0.58 -0.00 -0.07 0.09 0.00 0.00 178.44 179.02 1ndo h LEU 545 N 0.74 0.53 -1.45 1.67 4.07 -1.12 -0.59 115.31 119.16 1ndo h LEU 545 Ca 0.19 -0.31 0.04 0.00 0.08 0.00 0.00 57.88 57.88 1ndo h LEU 545 Cb 0.04 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.60 1ndo h LEU 545 CO -0.03 0.71 0.41 0.44 -1.08 0.00 0.00 178.44 178.89 1ndo h ASP 546 N 0.34 0.61 -0.11 -0.43 3.32 -0.71 0.24 116.42 119.67 1ndo h ASP 546 Ca 0.09 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1ndo h ASP 546 Cb 0.44 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ndo h ASP 546 CO 0.02 0.41 0.00 2.30 -1.72 0.00 0.00 179.24 180.25 1ndo n ILE 547 N -4.47 0.14 -2.45 0.35 -5.35 -0.98 -4.28 119.36 102.32 1ndo n ILE 547 Ca 0.08 -0.27 -0.12 0.00 -0.27 0.00 0.00 62.75 62.17 1ndo n ILE 547 Cb 0.16 0.27 0.01 0.00 -1.74 0.00 0.00 39.64 38.34 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 0.10 -1.81 -2.20 6.28 6.02 0.85 -4.93 117.38 121.69 1ndo n GLN 548 Ca 0.17 0.51 -0.42 0.00 -0.01 0.00 0.00 57.00 57.24 1ndo n GLN 548 Cb 0.29 -4.55 0.00 0.00 1.02 0.00 0.00 30.24 27.00 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 -2.17 5.63 0.10 -1.58 0.00 -0.27 -4.76 120.51 117.47 1ndo n ALA 549 Ca -0.09 -4.23 -0.01 0.00 0.00 0.00 0.00 53.44 49.11 1ndo n ALA 549 Cb 0.58 -3.02 0.25 0.00 0.00 0.00 0.00 19.45 17.27 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 5.59 0.28 -0.40 0.00 0.05 -1.91 -0.83 116.97 119.76 1ndo h TYR 550 Ca 0.46 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 59.10 1ndo h TYR 550 Cb 0.58 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 1ndo h TYR 550 CO 1.33 0.58 -0.06 0.00 -1.05 0.00 0.00 178.16 178.96 1ndo h ARG 551 N 0.21 0.75 -0.65 4.88 3.08 -1.95 -1.60 114.38 119.10 1ndo h ARG 551 Ca 0.02 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 1ndo h ARG 551 Cb 0.74 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1ndo h ARG 551 CO 0.06 0.87 0.14 0.00 -1.07 0.00 0.00 179.97 179.96 1ndo h ALA 552 N 0.86 0.86 -0.22 0.04 0.00 -1.93 0.17 119.26 119.04 1ndo h ALA 552 Ca 0.11 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ndo h ALA 552 Cb 0.57 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ndo h ALA 552 CO 0.03 0.59 0.02 2.35 0.00 0.00 0.00 179.25 182.24 1ndo h TRP 553 N 0.97 0.03 -0.76 0.00 7.01 -1.03 0.31 115.95 122.47 1ndo h TRP 553 Ca 0.20 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.22 1ndo h TRP 553 Cb 0.39 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.43 1ndo h TRP 553 CO 0.03 -0.01 0.49 1.25 -2.79 0.00 0.00 178.44 177.41 1ndo h LEU 554 N 0.10 0.89 -0.09 0.65 5.85 -0.50 0.10 115.31 122.31 1ndo h LEU 554 Ca 0.10 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1ndo h LEU 554 Cb 0.11 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1ndo h LEU 554 CO -0.15 0.66 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.32 1ndo h GLU 555 N 1.04 0.30 0.00 1.25 4.81 -0.37 -3.30 114.58 118.31 1ndo h GLU 555 Ca 0.28 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1ndo h GLU 555 Cb -0.09 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1ndo h GLU 555 CO -0.06 0.81 -1.51 0.72 -0.73 0.00 0.00 179.01 178.24 1ndo n HIS 556 N -4.52 0.28 0.02 0.92 8.25 0.11 -4.65 115.22 115.62 1ndo n HIS 556 Ca -0.08 0.08 0.01 0.00 -0.26 0.00 0.00 57.72 57.48 1ndo n HIS 556 Cb 0.42 -0.56 -0.01 0.00 1.12 0.00 0.00 29.99 30.96 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 -1.93 3.79 0.53 0.00 1.01 -1.16 0.10 120.40 122.74 1ndo s VAL 558 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1ndo s VAL 558 Cb 0.01 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 1ndo s VAL 558 CO 0.07 0.50 0.97 -0.83 0.00 0.00 0.00 175.10 175.81 1ndo s GLY 559 N 0.37 1.95 0.54 4.51 0.00 0.18 -4.75 107.32 110.12 1ndo s GLY 559 Ca -0.05 0.07 0.34 0.00 0.00 0.00 0.00 44.72 45.08 1ndo s GLY 559 CO 0.03 0.33 2.00 1.48 0.00 0.00 0.00 173.10 176.95 1ndo h SER 560 N 0.64 0.00 -0.64 1.64 4.64 -1.95 -1.75 113.55 116.13 1ndo h SER 560 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ndo h SER 560 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ndo h SER 560 CO 0.62 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.96 1ndo n GLU 561 N -3.03 2.93 -1.57 4.77 4.71 -1.26 -4.55 120.64 122.64 1ndo n GLU 561 Ca 0.00 -2.50 -0.40 0.00 -0.01 0.00 0.00 57.16 54.26 1ndo n GLU 561 Cb 0.28 -1.65 0.03 0.00 -1.01 0.00 0.00 31.44 29.08 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 1.29 2.65 -4.01 2.62 3.14 -0.66 -4.89 118.33 118.47 1ndo n VAL 562 Ca 0.23 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.80 1ndo n VAL 562 Cb 0.67 -1.01 -0.15 0.00 -1.06 0.00 0.00 33.84 32.29 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 -2.16 1.87 -0.46 1.45 0.74 -0.72 -4.22 119.66 116.15 1ndo s GLN 563 Ca 0.67 -1.34 -0.12 0.00 0.05 0.00 0.00 55.36 54.62 1ndo s GLN 563 Cb -0.51 -2.83 0.09 0.00 1.10 0.00 0.00 33.01 30.86 1ndo s GLN 563 CO 0.54 -0.66 0.34 -0.47 -0.55 0.00 0.00 175.29 174.49 1ndo s TYR 564 N 1.16 3.31 -0.04 1.67 5.04 -0.42 -1.15 117.35 126.93 1ndo s TYR 564 Ca -0.04 -1.38 0.01 0.00 -2.44 0.00 0.00 57.07 53.23 1ndo s TYR 564 Cb -0.19 -3.21 0.02 0.00 0.35 0.00 0.00 41.96 38.93 1ndo s TYR 564 CO -0.07 -0.88 -0.06 -1.14 -1.34 0.00 0.00 175.55 172.07 1ndo s GLN 565 N 1.50 0.89 -0.11 4.97 0.74 -0.33 -0.12 119.66 127.19 1ndo s GLN 565 Ca 0.04 -0.16 -0.00 0.00 0.05 0.00 0.00 55.36 55.29 1ndo s GLN 565 Cb -0.25 -0.86 0.02 0.00 1.10 0.00 0.00 33.01 33.03 1ndo s GLN 565 CO 0.03 -0.04 -0.07 0.08 -0.55 0.00 0.00 175.29 174.75 1ndo s VAL 566 N 0.74 0.94 0.22 1.34 1.01 -0.45 -0.96 120.40 123.24 1ndo s VAL 566 Ca -0.10 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1ndo s VAL 566 Cb -0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1ndo s VAL 566 CO 0.01 0.35 0.10 0.27 0.00 0.00 0.00 175.10 175.83 1ndo s ILE 567 N 1.72 4.10 -0.17 2.22 -4.36 -0.01 0.50 121.20 125.21 1ndo s ILE 567 Ca 0.05 -1.45 0.01 0.00 -0.26 0.00 0.00 60.65 59.00 1ndo s ILE 567 Cb -0.13 -3.16 0.03 0.00 1.25 0.00 0.00 42.46 40.46 1ndo s ILE 567 CO -0.08 -0.26 -0.14 -0.55 0.24 0.00 0.00 174.94 174.15 1ndo s SER 568 N -3.47 3.01 -0.20 4.36 0.15 -0.41 -1.61 113.70 115.53 1ndo s SER 568 Ca 0.31 -0.65 -0.12 0.00 0.70 0.00 0.00 55.95 56.20 1ndo s SER 568 Cb -0.08 -1.26 -0.05 0.00 -1.71 0.00 0.00 66.02 62.91 1ndo s SER 568 CO 0.22 -0.07 0.20 -0.60 1.20 0.00 0.00 173.24 174.19 1ndo s ARG 569 N 1.41 4.17 0.34 5.44 3.52 -1.26 -1.75 118.95 130.83 1ndo s ARG 569 Ca 0.03 -0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.22 1ndo s ARG 569 Cb -0.14 -3.47 -0.11 0.00 -1.56 0.00 0.00 34.95 29.67 1ndo s ARG 569 CO -0.10 0.18 1.53 -1.91 -0.81 0.00 0.00 175.30 174.19 1ndo n GLU 570 N 3.85 2.68 -2.54 5.12 2.13 0.13 -4.92 120.64 127.09 1ndo n GLU 570 Ca -0.14 0.94 -0.43 0.00 0.66 0.00 0.00 57.16 58.20 1ndo n GLU 570 Cb 0.52 -2.70 -0.02 0.00 0.27 0.00 0.00 31.44 29.51 1ndo n GLU 570 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ndo s LEU 571 N -1.35 3.96 0.24 4.31 1.02 -1.26 -4.98 118.68 120.63 1ndo s LEU 571 Ca 0.58 1.21 0.10 0.00 0.02 0.00 0.00 54.13 56.04 1ndo s LEU 571 Cb -0.49 -3.54 -0.05 0.00 0.02 0.00 0.00 46.19 42.13 1ndo s LEU 571 CO 0.57 -0.91 -0.16 -0.13 0.02 0.00 0.00 176.35 175.74 1ndo s ARG 572 N 3.77 1.50 0.35 1.70 1.81 -1.26 -5.11 118.95 121.71 1ndo s ARG 572 Ca 0.50 -1.69 -0.28 0.00 -1.72 0.00 0.00 55.73 52.54 1ndo s ARG 572 Cb -0.15 -1.42 -0.12 0.00 -0.45 0.00 0.00 34.95 32.82 1ndo s ARG 572 CO 0.17 0.24 1.39 0.00 -0.68 0.00 0.00 175.30 176.42 1ndo n ALA 573 N -0.51 1.83 -0.20 2.13 0.00 -1.26 -4.88 120.51 117.63 1ndo n ALA 573 Ca -0.06 0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.86 1ndo n ALA 573 Cb 0.60 -2.34 0.45 0.00 0.00 0.00 0.00 19.45 18.16 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 2.85 1.98 -0.27 0.00 0.00 -2.04 -2.52 119.26 119.26 1ndo h ALA 574 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ndo h ALA 574 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ndo h ALA 574 CO 0.64 -0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 1ndo n SER 575 N -4.50 2.31 -4.71 0.00 3.41 -1.26 -4.96 113.62 103.90 1ndo n SER 575 Ca 0.15 -1.84 -0.42 0.00 -0.26 0.00 0.00 58.87 56.50 1ndo n SER 575 Cb 0.47 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.66 4.16 0.00 4.33 2.56 -0.95 -4.89 118.70 122.25 1ndo s GLU 576 Ca 0.34 2.51 0.00 0.00 0.00 0.00 0.00 54.97 57.82 1ndo s GLU 576 Cb 0.19 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 33.06 1ndo s GLU 576 CO 0.27 -0.73 0.00 0.54 -0.56 0.00 0.00 175.26 174.78 1ndo n ARG 577 N 4.49 3.16 -0.12 4.30 1.74 -1.26 -4.92 116.66 124.05 1ndo n ARG 577 Ca 0.16 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.99 1ndo n ARG 577 Cb 0.37 -0.40 -0.11 0.00 -1.02 0.00 0.00 32.46 31.30 1ndo n ARG 577 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ndo n ARG 578 N -0.51 0.61 -2.08 5.56 1.74 -1.26 -4.94 116.66 115.79 1ndo n ARG 578 Ca 0.00 0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.93 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 2.09 -0.07 -1.55 5.04 -1.26 -4.88 117.35 114.22 1ndo s TYR 579 Ca -0.35 0.41 0.11 0.00 -2.44 0.00 0.00 57.07 54.80 1ndo s TYR 579 Cb 0.11 -3.90 0.20 0.00 0.35 0.00 0.00 41.96 38.73 1ndo s TYR 579 CO 0.55 -3.32 1.10 1.63 -1.34 0.00 0.00 175.55 174.18 1ndo n LYS 580 N 7.31 0.68 -1.11 4.97 5.02 -1.26 -5.07 118.16 128.69 1ndo n LYS 580 Ca 0.18 -1.97 -0.29 0.00 -2.02 0.00 0.00 58.31 54.20 1ndo n LYS 580 Cb 0.44 -0.97 0.17 0.00 -0.02 0.00 0.00 35.03 34.64 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 -1.50 1.78 -0.39 -0.35 1.02 -1.26 -4.80 118.68 113.18 1ndo s LEU 581 Ca 0.20 1.34 -0.35 0.00 0.02 0.00 0.00 54.13 55.34 1ndo s LEU 581 Cb 0.19 -3.59 -0.15 0.00 0.02 0.00 0.00 46.19 42.66 1ndo s LEU 581 CO -0.01 -3.07 1.38 0.59 0.02 0.00 0.00 176.35 175.26 1ndo n ASN 582 N -4.15 0.81 0.07 2.29 5.03 -1.26 -4.86 115.26 113.19 1ndo n ASN 582 Ca 0.06 0.78 -0.06 0.00 0.87 0.00 0.00 54.58 56.23 1ndo n ASN 582 Cb 0.56 -0.68 -0.10 0.00 -1.02 0.00 0.00 39.78 38.54 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 4.94 0.00 -4.04 3.52 5.08 -1.97 -3.47 114.58 118.63 1ndo h GLU 583 Ca -0.25 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.97 1ndo h GLU 583 Cb 1.07 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.14 1ndo h GLU 583 CO 0.79 0.95 -0.66 0.00 -1.00 0.00 0.00 179.01 179.08 1ndo s ALA 584 N -2.76 0.23 0.32 3.43 0.00 -1.26 -0.70 121.76 121.02 1ndo s ALA 584 Ca 0.01 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.26 1ndo s ALA 584 Cb 0.10 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 1ndo s ALA 584 CO 0.81 -0.26 -0.04 0.00 0.00 0.00 0.00 175.76 176.27 1ndo s MET 585 N -2.56 2.00 -0.34 0.00 0.23 -0.71 -4.97 119.30 112.95 1ndo s MET 585 Ca -0.06 -1.73 -0.10 0.00 -1.03 0.00 0.00 55.69 52.77 1ndo s MET 585 Cb -0.02 -1.90 0.01 0.00 -1.53 0.00 0.00 34.83 31.39 1ndo s MET 585 CO -0.05 0.20 0.18 -0.80 -2.03 0.00 0.00 175.02 172.52 1ndo s ASN 586 N -3.66 5.65 0.06 -1.18 0.01 -1.26 -1.29 114.94 113.27 1ndo s ASN 586 Ca 0.33 -0.73 -0.18 0.00 -0.71 0.00 0.00 52.86 51.57 1ndo s ASN 586 Cb -0.01 -2.02 -0.13 0.00 0.41 0.00 0.00 41.25 39.50 1ndo s ASN 586 CO 0.18 -0.28 1.35 0.58 -1.51 0.00 0.00 177.10 177.42 1ndo h VAL 587 N 5.75 1.34 -3.99 1.60 2.07 -0.27 -3.43 116.25 119.32 1ndo h VAL 587 Ca -0.29 -1.45 -0.61 0.00 0.82 0.00 0.00 66.70 65.17 1ndo h VAL 587 Cb 1.13 1.83 -0.23 0.00 -1.52 0.00 0.00 31.29 32.50 1ndo h VAL 587 CO 0.64 0.44 -0.84 -0.31 0.02 0.00 0.00 177.57 177.52 1ndo s TYR 588 N -4.21 1.97 -0.48 1.57 1.51 -0.80 -4.94 117.35 111.96 1ndo s TYR 588 Ca -0.13 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.59 1ndo s TYR 588 Cb 0.06 -1.10 0.26 0.00 -0.11 0.00 0.00 41.96 41.08 1ndo s TYR 588 CO 0.79 0.22 0.93 -1.71 -1.11 0.00 0.00 175.55 174.67 1ndo n ASN 589 N 1.21 -2.72 -4.74 2.29 5.15 -1.15 -1.34 115.26 113.95 1ndo n ASN 589 Ca -0.19 -3.37 -0.33 0.00 -0.60 0.00 0.00 54.58 50.09 1ndo n ASN 589 Cb 0.53 1.80 -0.08 0.00 -0.53 0.00 0.00 39.78 41.50 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 0.56 2.98 0.60 1.20 0.41 0.82 -4.88 118.70 120.40 1ndo s GLU 590 Ca 0.30 -0.49 0.01 0.00 -0.41 0.00 0.00 54.97 54.38 1ndo s GLU 590 Cb 0.24 -2.81 0.12 0.00 -1.78 0.00 0.00 34.13 29.90 1ndo s GLU 590 CO -0.21 0.66 0.82 0.27 -0.49 0.00 0.00 175.26 176.31 1ndo n ASN 591 N 1.44 1.28 -0.06 -0.19 0.23 -1.26 -1.30 115.26 115.39 1ndo n ASN 591 Ca -0.15 -2.04 -0.08 0.00 -0.53 0.00 0.00 54.58 51.78 1ndo n ASN 591 Cb 0.53 -0.52 -0.02 0.00 -2.08 0.00 0.00 39.78 37.70 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 -0.45 0.20 -0.78 -2.53 3.57 -1.80 -0.59 116.94 114.56 1ndo h PHE 592 Ca -0.27 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.21 1ndo h PHE 592 Cb 1.05 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 1ndo h PHE 592 CO 0.00 0.11 0.38 1.96 -2.23 0.00 0.00 178.31 178.52 1ndo h GLN 593 N 0.24 1.12 -0.34 1.11 1.08 -1.95 -0.98 115.11 115.38 1ndo h GLN 593 Ca 0.11 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 1ndo h GLN 593 Cb 0.05 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 1ndo h GLN 593 CO -0.09 0.86 -0.17 1.96 -0.95 0.00 0.00 178.83 180.44 1ndo h GLN 594 N 1.11 0.63 -0.57 1.46 4.20 -1.67 -1.70 115.11 118.57 1ndo h GLN 594 Ca 0.27 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1ndo h GLN 594 Cb 0.11 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1ndo h GLN 594 CO -0.04 0.77 0.13 -0.07 -0.67 0.00 0.00 178.83 178.95 1ndo h LEU 595 N 0.57 0.84 -0.41 1.46 3.38 -0.77 -2.33 115.31 118.05 1ndo h LEU 595 Ca 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1ndo h LEU 595 Cb 0.61 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1ndo h LEU 595 CO 0.04 0.82 0.09 0.11 0.09 0.00 0.00 178.44 179.59 1ndo h LYS 596 N 0.86 0.66 -0.79 1.13 1.57 -0.79 0.12 116.57 119.32 1ndo h LYS 596 Ca 0.18 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1ndo h LYS 596 Cb 0.32 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1ndo h LYS 596 CO 0.00 0.68 0.51 0.28 -0.57 0.00 0.00 179.45 180.36 1ndo h VAL 597 N 0.52 1.21 -0.51 0.50 2.07 -0.81 0.21 116.25 119.43 1ndo h VAL 597 Ca 0.13 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 1ndo h VAL 597 Cb 0.33 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1ndo h VAL 597 CO 0.00 0.20 -0.15 0.03 0.02 0.00 0.00 177.57 177.67 1ndo h ARG 598 N 1.07 1.00 -0.36 1.57 3.08 -0.88 -0.25 114.38 119.62 1ndo h ARG 598 Ca 0.29 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1ndo h ARG 598 Cb -0.11 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1ndo h ARG 598 CO -0.06 1.07 -0.05 0.28 -1.07 0.00 0.00 179.97 180.14 1ndo h VAL 599 N 0.88 1.27 -0.32 2.04 2.07 -0.49 -1.78 116.25 119.92 1ndo h VAL 599 Ca 0.13 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.62 1ndo h VAL 599 Cb 0.72 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 1ndo h VAL 599 CO 0.06 0.36 0.02 -0.33 0.02 0.00 0.00 177.57 177.70 1ndo h GLU 600 N 0.46 0.12 -0.99 1.57 4.39 -0.65 -1.87 114.58 117.61 1ndo h GLU 600 Ca 0.10 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.89 1ndo h GLU 600 Cb 0.54 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 1ndo h GLU 600 CO 0.03 0.08 0.62 1.25 -1.16 0.00 0.00 179.01 179.83 1ndo h HIS 601 N 0.12 1.14 -0.55 4.33 2.76 -0.88 -0.49 115.15 121.58 1ndo h HIS 601 Ca 0.15 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 1ndo h HIS 601 Cb 0.20 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 1ndo h HIS 601 CO -0.21 0.49 0.14 1.96 -1.30 0.00 0.00 177.93 179.01 1ndo h GLN 602 N 1.03 0.84 -0.00 5.26 1.08 -0.61 -3.23 115.11 119.48 1ndo h GLN 602 Ca 0.47 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1ndo h GLN 602 Cb 0.39 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1ndo h GLN 602 CO -0.24 0.75 -0.55 1.28 -0.95 0.00 0.00 178.83 179.13 1ndo n LEU 603 N -4.28 0.63 -4.73 1.46 4.77 -0.72 -4.91 117.00 109.22 1ndo n LEU 603 Ca 0.04 -0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 1ndo n LEU 603 Cb 0.22 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1ndo n LEU 603 CO 0.40 0.15 1.21 -0.62 -1.33 0.00 0.00 177.39 177.20 1ndo s ASP 604 N -2.95 6.56 0.30 -1.43 -1.08 -0.27 -4.89 116.67 112.90 1ndo s ASP 604 Ca 0.12 2.69 0.24 0.00 -0.52 0.00 0.00 52.55 55.08 1ndo s ASP 604 Cb 0.17 -2.61 1.08 0.00 -1.46 0.00 0.00 42.92 40.10 1ndo s ASP 604 CO 0.71 -0.82 1.72 1.55 0.52 0.00 0.00 175.17 178.85 1ndo h PRO 605 N 6.09 0.00 -0.65 4.34 0.13 -1.91 -1.91 132.00 138.09 1ndo h PRO 605 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ndo h PRO 605 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ndo h PRO 605 CO 0.87 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.68 1ndo n GLN 606 N -2.30 3.24 -2.57 0.86 6.02 -1.26 -4.72 117.38 116.65 1ndo n GLN 606 Ca 0.01 -2.52 -0.41 0.00 -0.01 0.00 0.00 57.00 54.07 1ndo n GLN 606 Cb 0.18 -1.76 -0.03 0.00 1.02 0.00 0.00 30.24 29.65 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 -0.88 6.54 0.46 1.08 3.84 -0.72 -4.86 114.94 120.40 1ndo s ASN 607 Ca 0.45 -1.58 0.14 0.00 0.21 0.00 0.00 52.86 52.08 1ndo s ASN 607 Cb 0.28 -2.57 1.06 0.00 -0.55 0.00 0.00 41.25 39.47 1ndo s ASN 607 CO 0.24 -1.46 2.05 -0.50 -2.79 0.00 0.00 177.10 174.64 1ndo h TRP 608 N 9.51 0.09 0.00 0.43 4.06 -1.88 -2.11 115.95 126.06 1ndo h TRP 608 Ca 0.23 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.18 1ndo h TRP 608 Cb 0.99 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.12 1ndo h TRP 608 CO 1.30 0.15 0.00 0.41 -3.56 0.00 0.00 178.44 176.74 1ndo n GLY 609 N -1.25 -1.20 1.22 1.49 0.00 -1.26 -1.91 105.19 102.28 1ndo n GLY 609 Ca -0.02 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.97 3.58 -4.16 1.61 3.02 -0.79 -4.82 115.26 111.72 1ndo n ASN 610 Ca 0.03 -2.26 -0.32 0.00 -0.03 0.00 0.00 54.58 52.00 1ndo n ASN 610 Cb 0.22 -0.47 -0.17 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.84 3.02 0.60 6.41 0.15 -0.80 -2.89 113.70 119.34 1ndo s SER 611 Ca 0.39 -0.57 -0.19 0.00 0.70 0.00 0.00 55.95 56.27 1ndo s SER 611 Cb 0.24 -1.39 -0.05 0.00 -1.71 0.00 0.00 66.02 63.11 1ndo s SER 611 CO 0.20 0.08 1.04 -0.81 1.20 0.00 0.00 173.24 174.96 1ndo n PRO 612 N 4.00 1.01 -1.56 5.44 -0.04 -1.26 -5.03 135.00 137.56 1ndo n PRO 612 Ca -0.20 0.39 -0.46 0.00 -0.04 0.00 0.00 63.50 63.19 1ndo n PRO 612 Cb 0.52 -2.25 -0.02 0.00 -0.04 0.00 0.00 33.50 31.71 1ndo n PRO 612 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ndo n LYS 613 N -1.08 1.08 -1.74 0.54 4.81 -1.14 -4.80 118.16 115.83 1ndo n LYS 613 Ca 0.14 0.38 -0.32 0.00 -0.87 0.00 0.00 58.31 57.64 1ndo n LYS 613 Cb 0.47 -1.72 0.04 0.00 0.02 0.00 0.00 35.03 33.83 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 0.90 3.27 -0.13 3.14 1.02 -1.26 -4.86 118.68 120.75 1ndo s LEU 614 Ca 0.63 1.70 0.02 0.00 0.02 0.00 0.00 54.13 56.51 1ndo s LEU 614 Cb -0.78 -4.51 0.01 0.00 0.02 0.00 0.00 46.19 40.93 1ndo s LEU 614 CO 0.57 -1.37 -0.21 -0.13 0.02 0.00 0.00 176.35 175.24 1ndo s ARG 615 N -4.67 2.86 -0.07 1.70 1.81 -0.52 -5.01 118.95 115.05 1ndo s ARG 615 Ca 0.60 -0.80 0.03 0.00 -1.72 0.00 0.00 55.73 53.85 1ndo s ARG 615 Cb -0.15 -2.31 0.00 0.00 -0.45 0.00 0.00 34.95 32.04 1ndo s ARG 615 CO 0.48 -0.01 -0.18 -0.06 -0.68 0.00 0.00 175.30 174.86 1ndo s PHE 616 N 0.81 1.90 -0.07 -0.53 0.08 -1.26 -1.20 117.98 117.71 1ndo s PHE 616 Ca -0.08 -0.69 0.01 0.00 0.12 0.00 0.00 56.93 56.29 1ndo s PHE 616 Cb -0.16 -1.31 0.02 0.00 -0.57 0.00 0.00 43.02 41.01 1ndo s PHE 616 CO -0.01 -0.29 -0.06 0.99 -0.10 0.00 0.00 175.22 175.74 1ndo s THR 617 N 0.39 0.76 -0.06 0.64 2.01 -0.48 -4.74 115.64 114.15 1ndo s THR 617 Ca -0.13 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1ndo s THR 617 Cb -0.15 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 1ndo s THR 617 CO 0.05 0.29 -0.17 -0.13 -0.69 0.00 0.00 174.62 173.97 1ndo s ARG 618 N 1.14 2.63 -0.29 4.92 0.52 -1.26 -0.84 118.95 125.77 1ndo s ARG 618 Ca -0.07 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 1ndo s ARG 618 Cb -0.14 -2.36 0.08 0.00 0.52 0.00 0.00 34.95 33.05 1ndo s ARG 618 CO -0.01 0.51 -0.04 -0.06 0.02 0.00 0.00 175.30 175.71 1ndo s PHE 619 N -0.44 3.35 -0.24 -0.53 0.40 0.19 -4.99 117.98 115.71 1ndo s PHE 619 Ca 0.05 -2.52 -0.09 0.00 -0.60 0.00 0.00 56.93 53.77 1ndo s PHE 619 Cb -0.12 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 1ndo s PHE 619 CO 0.02 -0.90 0.13 0.42 0.70 0.00 0.00 175.22 175.59 1ndo s ILE 620 N 1.06 5.05 0.33 0.64 -1.09 -1.26 -1.76 121.20 124.18 1ndo s ILE 620 Ca -0.01 0.07 0.05 0.00 -2.23 0.00 0.00 60.65 58.54 1ndo s ILE 620 Cb -0.19 -3.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 1ndo s ILE 620 CO -0.07 0.34 0.20 0.35 -1.23 0.00 0.00 174.94 174.53 1ndo n THR 621 N 4.46 0.00 -3.67 2.92 -2.24 0.03 -4.94 114.28 110.84 1ndo n THR 621 Ca -0.15 -2.18 -0.28 0.00 -2.27 0.00 0.00 64.05 59.17 1ndo n THR 621 Cb 0.52 0.94 0.01 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.70 -4.27 -4.70 3.42 4.13 -1.26 -1.04 115.26 109.85 1ndo n ASN 622 Ca 0.01 -0.62 -0.42 0.00 1.68 0.00 0.00 54.58 55.23 1ndo n ASN 622 Cb 0.55 -3.47 -0.03 0.00 -1.54 0.00 0.00 39.78 35.30 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 -3.13 3.08 0.00 2.41 1.01 -1.26 -4.29 120.40 118.22 1ndo s VAL 623 Ca 0.54 0.60 0.06 0.00 0.00 0.00 0.00 61.98 63.18 1ndo s VAL 623 Cb -0.28 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1ndo s VAL 623 CO 0.67 0.01 -0.19 -1.10 0.00 0.00 0.00 175.10 174.49 1ndo s GLN 624 N 2.26 1.47 0.00 2.72 -0.21 0.86 -4.99 119.66 121.78 1ndo s GLN 624 Ca 0.71 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 55.36 1ndo s GLN 624 Cb -0.39 -1.46 -0.01 0.00 1.00 0.00 0.00 33.01 32.15 1ndo s GLN 624 CO 0.31 0.39 -0.06 0.00 -2.12 0.00 0.00 175.29 173.81 1ndo s ALA 625 N -0.56 0.49 -0.22 6.09 0.00 -1.26 -1.31 121.76 125.00 1ndo s ALA 625 Ca 0.07 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 1ndo s ALA 625 Cb -0.08 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.00 1ndo s ALA 625 CO 0.00 0.10 0.55 0.00 0.00 0.00 0.00 175.76 176.42 1ndo s ALA 626 N -0.26 -1.44 0.38 0.00 0.00 -0.21 -4.70 121.76 115.53 1ndo s ALA 626 Ca 0.01 1.84 -0.26 0.00 0.00 0.00 0.00 51.96 53.55 1ndo s ALA 626 Cb -0.03 -1.09 -0.09 0.00 0.00 0.00 0.00 23.12 21.91 1ndo s ALA 626 CO -0.00 -0.30 1.20 -1.64 0.00 0.00 0.00 175.76 175.02 1ndo s MET 627 N 1.11 4.14 0.45 0.00 -1.94 -1.26 -0.83 119.30 120.98 1ndo s MET 627 Ca -0.07 1.94 -0.24 0.00 -1.71 0.00 0.00 55.69 55.62 1ndo s MET 627 Cb -0.06 -2.80 -0.08 0.00 2.01 0.00 0.00 34.83 33.91 1ndo s MET 627 CO -0.11 -0.28 1.27 0.34 -0.01 0.00 0.00 175.02 176.24 1ndo s ASP 628 N -0.95 6.07 0.13 3.03 2.15 -0.21 -4.84 116.67 122.04 1ndo s ASP 628 Ca 0.55 2.57 -0.15 0.00 0.43 0.00 0.00 52.55 55.95 1ndo s ASP 628 Cb -0.33 -2.63 -0.01 0.00 -0.30 0.00 0.00 42.92 39.64 1ndo s ASP 628 CO 0.43 -1.01 1.59 0.58 -0.17 0.00 0.00 175.17 176.58 1ndo h VAL 629 N 2.09 1.25 0.03 1.11 2.07 -1.94 -3.37 116.25 117.49 1ndo h VAL 629 Ca -0.50 -0.96 -0.25 0.00 0.82 0.00 0.00 66.70 65.81 1ndo h VAL 629 Cb 1.26 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1ndo h VAL 629 CO 0.61 0.33 -1.34 0.78 0.02 0.00 0.00 177.57 177.96 1ndo h ASN 630 N 0.55 0.09 -3.15 0.57 2.35 -1.98 -3.44 115.58 110.56 1ndo h ASN 630 Ca 0.12 -0.61 -0.72 0.00 -0.55 0.00 0.00 56.30 54.54 1ndo h ASN 630 Cb 0.44 -0.03 -0.21 0.00 0.05 0.00 0.00 38.32 38.57 1ndo h ASN 630 CO 0.02 1.54 -0.11 -0.62 -1.65 0.00 0.00 177.43 176.61 1ndo s ASP 631 N -6.88 6.18 0.00 5.81 -1.08 -1.26 -4.92 116.67 114.53 1ndo s ASP 631 Ca -0.27 -1.34 0.19 0.00 -0.52 0.00 0.00 52.55 50.61 1ndo s ASP 631 Cb 0.06 -2.24 0.97 0.00 -1.46 0.00 0.00 42.92 40.24 1ndo s ASP 631 CO 0.63 -0.86 1.60 2.29 0.52 0.00 0.00 175.17 179.35 1ndo n LYS 632 N 5.71 0.26 0.00 4.34 2.85 -1.26 -1.34 118.16 128.73 1ndo n LYS 632 Ca -0.11 0.11 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 1ndo n LYS 632 Cb 0.43 -1.50 0.22 0.00 -0.65 0.00 0.00 35.03 33.53 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 -1.29 1.09 -3.61 -1.58 -0.58 -1.26 -4.90 120.64 108.51 1ndo n GLU 633 Ca 0.09 -0.78 -0.39 0.00 -0.42 0.00 0.00 57.16 55.66 1ndo n GLU 633 Cb 0.16 -1.48 -0.11 0.00 -0.57 0.00 0.00 31.44 29.43 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 -2.45 4.21 -0.22 -4.62 2.96 -0.45 -2.83 118.68 115.28 1ndo s LEU 634 Ca 0.23 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1ndo s LEU 634 Cb 0.19 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1ndo s LEU 634 CO 0.52 -0.18 0.08 -0.22 -1.32 0.00 0.00 176.35 175.23 1ndo s LEU 635 N 1.67 3.69 -0.22 -0.68 2.96 0.62 -1.05 118.68 125.69 1ndo s LEU 635 Ca 0.06 -0.04 -0.27 0.00 -0.22 0.00 0.00 54.13 53.66 1ndo s LEU 635 Cb -0.17 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 1ndo s LEU 635 CO 0.08 0.06 0.91 -1.00 -1.32 0.00 0.00 176.35 175.09 1ndo s HIS 636 N 1.03 3.35 -0.07 5.38 3.76 -0.01 -0.44 115.29 128.29 1ndo s HIS 636 Ca 0.05 1.30 0.04 0.00 -0.15 0.00 0.00 55.06 56.30 1ndo s HIS 636 Cb -0.14 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.42 1ndo s HIS 636 CO 0.03 -0.39 -0.20 0.42 -0.85 0.00 0.00 174.74 173.76 1ndo s ILE 637 N 2.78 1.73 -0.06 0.60 1.01 0.05 -1.05 121.20 126.27 1ndo s ILE 637 Ca 0.39 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1ndo s ILE 637 Cb -0.16 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1ndo s ILE 637 CO 0.08 0.49 -0.20 -0.60 0.00 0.00 0.00 174.94 174.71 1ndo s ARG 638 N 0.28 2.53 0.12 2.79 3.52 -0.43 0.07 118.95 127.84 1ndo s ARG 638 Ca -0.13 -0.82 -0.24 0.00 -0.13 0.00 0.00 55.73 54.41 1ndo s ARG 638 Cb -0.16 -2.26 0.07 0.00 -1.56 0.00 0.00 34.95 31.04 1ndo s ARG 638 CO 0.06 0.48 0.60 -1.54 -0.81 0.00 0.00 175.30 174.09 1ndo s SER 639 N -0.38 -0.57 0.09 -2.12 1.04 -0.88 -0.10 113.70 110.78 1ndo s SER 639 Ca 0.03 0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.66 1ndo s SER 639 Cb -0.12 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1ndo s SER 639 CO 0.02 -0.89 -0.12 0.20 0.98 0.00 0.00 173.24 173.43 1ndo s ASN 640 N -2.45 4.28 0.00 7.02 0.01 -0.21 0.02 114.94 123.61 1ndo s ASN 640 Ca -0.01 -0.40 0.02 0.00 -0.71 0.00 0.00 52.86 51.76 1ndo s ASN 640 Cb -0.01 -0.79 -0.01 0.00 0.41 0.00 0.00 41.25 40.86 1ndo s ASN 640 CO -0.08 0.19 -0.06 0.54 -1.51 0.00 0.00 177.10 176.18 1ndo s VAL 641 N -1.16 0.43 -0.18 1.60 0.11 -0.10 -0.79 120.40 120.31 1ndo s VAL 641 Ca 0.20 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1ndo s VAL 641 Cb -0.11 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1ndo s VAL 641 CO 0.12 0.07 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.16 1ndo s ILE 642 N -0.23 2.38 -0.20 7.04 1.01 -0.72 -1.25 121.20 129.22 1ndo s ILE 642 Ca 0.01 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 1ndo s ILE 642 Cb -0.03 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1ndo s ILE 642 CO -0.00 0.52 -0.15 -0.22 0.00 0.00 0.00 174.94 175.09 1ndo s LEU 643 N 1.16 2.53 -0.22 2.97 0.20 0.12 -0.63 118.68 124.81 1ndo s LEU 643 Ca 0.01 -0.70 -0.09 0.00 0.69 0.00 0.00 54.13 54.05 1ndo s LEU 643 Cb -0.14 -1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 1ndo s LEU 643 CO -0.07 -0.04 0.11 -2.28 -0.29 0.00 0.00 176.35 173.77 1ndo s HIS 644 N 1.31 3.25 -0.18 5.38 5.65 -0.02 -0.99 115.29 129.69 1ndo s HIS 644 Ca 0.03 0.06 0.01 0.00 0.25 0.00 0.00 55.06 55.41 1ndo s HIS 644 Cb -0.14 -2.19 0.02 0.00 -1.18 0.00 0.00 32.58 29.09 1ndo s HIS 644 CO -0.09 0.03 -0.19 0.50 -0.65 0.00 0.00 174.74 174.34 1ndo s ARG 645 N 0.87 2.90 0.00 2.88 3.52 -0.31 -1.39 118.95 127.42 1ndo s ARG 645 Ca 0.05 -0.84 0.07 0.00 -0.13 0.00 0.00 55.73 54.88 1ndo s ARG 645 Cb -0.13 -2.55 -0.02 0.00 -1.56 0.00 0.00 34.95 30.68 1ndo s ARG 645 CO 0.03 -0.23 -0.21 0.00 -0.81 0.00 0.00 175.30 174.08 1ndo s ALA 646 N 1.29 1.76 0.01 6.12 0.00 -0.34 -1.30 121.76 129.30 1ndo s ALA 646 Ca 0.04 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.77 1ndo s ALA 646 Cb -0.13 -0.42 0.08 0.00 0.00 0.00 0.00 23.12 22.65 1ndo s ALA 646 CO -0.12 0.42 0.71 -0.98 0.00 0.00 0.00 175.76 175.79 1ndo s ARG 647 N -0.70 1.05 -1.44 0.00 1.70 -0.65 -1.43 118.95 117.48 1ndo s ARG 647 Ca 0.08 -0.06 -0.10 0.00 -0.47 0.00 0.00 55.73 55.19 1ndo s ARG 647 Cb -0.08 0.49 0.05 0.00 -0.57 0.00 0.00 34.95 34.84 1ndo s ARG 647 CO -0.00 -0.39 0.97 0.54 -1.08 0.00 0.00 175.30 175.34 1ndo n ARG 648 N 0.34 -5.99 0.00 3.89 1.74 -1.26 -2.01 116.66 113.37 1ndo n ARG 648 Ca -0.16 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1ndo n ARG 648 Cb 0.60 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.51 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 -1.71 2.02 0.34 -0.13 0.00 -1.26 -4.36 105.19 100.08 1ndo n GLY 649 Ca -0.05 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 3.88 1.04 -4.64 1.61 0.23 -1.24 -5.01 115.26 111.12 1ndo n ASN 650 Ca 0.00 -2.49 -0.40 0.00 -0.53 0.00 0.00 54.58 51.16 1ndo n ASN 650 Cb 0.00 -0.30 -0.07 0.00 -2.08 0.00 0.00 39.78 37.33 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 -1.27 4.15 -0.09 -3.83 0.74 -0.85 -5.01 119.66 113.49 1ndo s GLN 651 Ca 0.15 0.48 -0.02 0.00 0.05 0.00 0.00 55.36 56.02 1ndo s GLN 651 Cb 0.13 -3.61 0.03 0.00 1.10 0.00 0.00 33.01 30.66 1ndo s GLN 651 CO 0.01 -0.29 0.01 0.08 -0.55 0.00 0.00 175.29 174.55 1ndo s VAL 652 N 2.11 0.37 -0.14 1.34 1.01 -1.26 -1.64 120.40 122.18 1ndo s VAL 652 Ca 0.25 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1ndo s VAL 652 Cb -0.16 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.64 1ndo s VAL 652 CO 0.09 0.16 -0.12 -1.81 0.00 0.00 0.00 175.10 173.43 1ndo s ASP 653 N 1.97 2.59 -0.16 3.32 1.01 -0.42 -5.02 116.67 119.96 1ndo s ASP 653 Ca 0.04 -0.46 -0.02 0.00 0.71 0.00 0.00 52.55 52.82 1ndo s ASP 653 Cb -0.13 -1.07 -0.02 0.00 1.01 0.00 0.00 42.92 42.71 1ndo s ASP 653 CO -0.06 -0.09 -0.09 -0.69 0.21 0.00 0.00 175.17 174.46 1ndo s VAL 654 N 1.55 3.30 -0.00 -1.27 1.01 -1.26 -1.17 120.40 122.57 1ndo s VAL 654 Ca 0.04 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1ndo s VAL 654 Cb -0.13 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1ndo s VAL 654 CO -0.10 0.49 -0.18 -0.36 0.00 0.00 0.00 175.10 174.96 1ndo s PHE 655 N 0.63 2.58 -0.06 5.22 0.40 -0.16 -4.94 117.98 121.65 1ndo s PHE 655 Ca -0.05 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1ndo s PHE 655 Cb -0.15 -1.53 0.01 0.00 0.51 0.00 0.00 43.02 41.86 1ndo s PHE 655 CO 0.03 0.18 -0.10 0.71 0.70 0.00 0.00 175.22 176.74 1ndo s TYR 656 N -0.81 1.23 -0.00 0.36 1.51 -1.26 -0.70 117.35 117.68 1ndo s TYR 656 Ca 0.13 -0.43 -0.28 0.00 -1.01 0.00 0.00 57.07 55.48 1ndo s TYR 656 Cb -0.10 -0.93 0.10 0.00 -0.11 0.00 0.00 41.96 40.91 1ndo s TYR 656 CO 0.03 -0.24 0.86 0.00 -1.11 0.00 0.00 175.55 175.09 1ndo s ALA 657 N 0.70 -1.81 -0.18 3.71 0.00 -0.38 -4.55 121.76 119.24 1ndo s ALA 657 Ca -0.13 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 1ndo s ALA 657 Cb -0.15 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 1ndo s ALA 657 CO 0.03 -0.66 0.19 0.00 0.00 0.00 0.00 175.76 175.31 1ndo s ALA 658 N -2.99 3.66 -0.17 0.00 0.00 -1.26 -0.92 121.76 120.07 1ndo s ALA 658 Ca 0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 1ndo s ALA 658 Cb -0.01 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1ndo s ALA 658 CO -0.08 0.15 -0.01 1.03 0.00 0.00 0.00 175.76 176.85 1ndo s ARG 659 N 0.34 3.70 -0.41 0.00 0.52 0.10 -4.39 118.95 118.81 1ndo s ARG 659 Ca 0.11 -0.49 -0.09 0.00 -0.52 0.00 0.00 55.73 54.74 1ndo s ARG 659 Cb -0.12 -3.01 0.08 0.00 0.52 0.00 0.00 34.95 32.43 1ndo s ARG 659 CO 0.00 0.18 0.25 -1.21 0.02 0.00 0.00 175.30 174.55 1ndo s GLU 660 N 0.54 2.57 0.22 3.54 2.02 -0.51 -2.08 118.70 125.00 1ndo s GLU 660 Ca -0.02 -1.47 0.08 0.00 0.02 0.00 0.00 54.97 53.59 1ndo s GLU 660 Cb -0.14 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 1ndo s GLU 660 CO 0.02 -0.95 0.00 -0.51 0.02 0.00 0.00 175.26 173.85 1ndo s ASP 661 N 2.08 4.68 -0.12 -0.19 1.01 0.11 -1.09 116.67 123.16 1ndo s ASP 661 Ca 0.03 -0.50 0.01 0.00 0.71 0.00 0.00 52.55 52.80 1ndo s ASP 661 Cb -0.23 -0.95 0.02 0.00 1.01 0.00 0.00 42.92 42.77 1ndo s ASP 661 CO 0.02 0.05 -0.15 -0.54 0.21 0.00 0.00 175.17 174.76 1ndo s LYS 662 N -3.30 2.22 -0.10 8.23 1.02 0.10 -0.77 119.74 127.15 1ndo s LYS 662 Ca 0.29 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.76 1ndo s LYS 662 Cb -0.08 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1ndo s LYS 662 CO 0.19 -0.13 -0.18 -1.58 -0.92 0.00 0.00 175.35 172.73 1ndo s TRP 663 N 1.19 2.67 -0.02 3.18 0.52 0.41 -0.02 118.94 126.88 1ndo s TRP 663 Ca -0.02 -0.72 0.05 0.00 0.02 0.00 0.00 56.10 55.43 1ndo s TRP 663 Cb -0.14 -1.75 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 1ndo s TRP 663 CO -0.05 -0.23 -0.17 0.21 0.02 0.00 0.00 176.95 176.73 1ndo s LYS 664 N 0.16 1.41 0.10 4.98 2.20 0.14 -0.27 119.74 128.46 1ndo s LYS 664 Ca -0.10 -0.61 -0.31 0.00 -0.36 0.00 0.00 55.97 54.59 1ndo s LYS 664 Cb -0.16 -1.35 -0.09 0.00 -1.51 0.00 0.00 37.83 34.72 1ndo s LYS 664 CO 0.06 0.36 1.63 1.03 -0.36 0.00 0.00 175.35 178.07 1ndo s ARG 665 N -0.36 4.20 0.00 4.03 0.52 -1.13 -1.31 118.95 124.89 1ndo s ARG 665 Ca 0.06 2.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.62 1ndo s ARG 665 Cb -0.07 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.94 1ndo s ARG 665 CO -0.00 -0.70 0.00 0.41 0.02 0.00 0.00 175.30 175.03 1ndo n GLY 666 N 3.93 3.32 3.82 -3.53 0.00 -0.64 -4.94 105.19 107.15 1ndo n GLY 666 Ca 0.15 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 1ndo n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ndo s GLU 667 N 4.67 4.13 0.00 1.61 0.41 -1.26 -3.53 118.70 124.73 1ndo s GLU 667 Ca 0.00 0.66 0.00 0.00 -0.41 0.00 0.00 54.97 55.22 1ndo s GLU 667 Cb 0.00 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 29.23 1ndo s GLU 667 CO 0.00 0.58 0.00 0.41 -0.49 0.00 0.00 175.26 175.76 1ndo n GLY 668 N 1.38 0.77 1.70 -1.39 0.00 -1.26 -3.92 105.19 102.47 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 -1.50 0.56 3.64 -0.02 0.00 -1.23 -5.01 105.19 101.62 1ndo n GLY 669 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 4.75 -0.05 1.61 1.01 -1.25 -4.78 120.40 119.69 1ndo s VAL 670 Ca 0.00 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.25 1ndo s VAL 670 Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1ndo s VAL 670 CO 0.00 -0.20 1.57 -0.60 0.00 0.00 0.00 175.10 175.87 1ndo s ARG 671 N 3.05 4.20 0.10 2.72 6.06 -1.26 -1.61 118.95 132.21 1ndo s ARG 671 Ca 0.37 2.10 0.06 0.00 -2.50 0.00 0.00 55.73 55.77 1ndo s ARG 671 Cb -0.14 -3.86 -0.03 0.00 0.06 0.00 0.00 34.95 30.97 1ndo s ARG 671 CO 0.10 -0.78 -0.16 0.15 -2.50 0.00 0.00 175.30 172.10 1ndo s LYS 672 N 3.61 1.01 0.13 5.12 1.02 -0.43 -4.86 119.74 125.33 1ndo s LYS 672 Ca 0.70 -1.15 -0.31 0.00 0.02 0.00 0.00 55.97 55.23 1ndo s LYS 672 Cb -0.32 -1.04 -0.09 0.00 -0.52 0.00 0.00 37.83 35.86 1ndo s LYS 672 CO 0.27 0.22 1.56 -1.17 -0.92 0.00 0.00 175.35 175.32 1ndo s LEU 673 N -2.11 4.37 0.00 3.17 2.96 0.29 0.29 118.68 127.64 1ndo s LEU 673 Ca 0.05 2.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.49 1ndo s LEU 673 Cb -0.08 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1ndo s LEU 673 CO 0.03 -0.81 0.00 0.52 -1.32 0.00 0.00 176.35 174.77 1ndo n VAL 674 N 4.19 0.00 -3.66 1.68 0.31 0.97 0.50 118.33 122.32 1ndo n VAL 674 Ca 0.14 -0.09 -0.08 0.00 -0.01 0.00 0.00 64.34 64.30 1ndo n VAL 674 Cb 0.40 0.54 -0.08 0.00 -0.91 0.00 0.00 33.84 33.79 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 -1.54 0.56 -0.07 5.55 0.74 -0.88 -1.76 119.66 122.27 1ndo s GLN 675 Ca 0.00 1.06 0.03 0.00 0.05 0.00 0.00 55.36 56.51 1ndo s GLN 675 Cb 0.00 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.24 1ndo s GLN 675 CO 0.00 -0.16 -0.16 0.50 -0.55 0.00 0.00 175.29 174.92 1ndo s ARG 676 N 1.67 2.03 -0.12 1.67 3.52 -0.30 -0.72 118.95 126.69 1ndo s ARG 676 Ca -0.09 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 1ndo s ARG 676 Cb -0.07 -1.65 0.02 0.00 -1.56 0.00 0.00 34.95 31.69 1ndo s ARG 676 CO -0.17 0.12 -0.14 0.12 -0.81 0.00 0.00 175.30 174.42 1ndo s PHE 677 N 0.41 1.97 -0.06 5.12 5.36 -0.25 -1.19 117.98 129.35 1ndo s PHE 677 Ca -0.13 -0.98 0.04 0.00 -0.96 0.00 0.00 56.93 54.90 1ndo s PHE 677 Cb -0.15 -1.44 0.00 0.00 -0.34 0.00 0.00 43.02 41.09 1ndo s PHE 677 CO 0.04 -0.53 -0.18 0.08 -1.46 0.00 0.00 175.22 173.18 1ndo s VAL 678 N 1.17 1.53 -0.76 3.12 1.01 -0.13 -1.43 120.40 124.91 1ndo s VAL 678 Ca -0.03 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1ndo s VAL 678 Cb -0.14 -1.33 0.20 0.00 0.00 0.00 0.00 36.38 35.11 1ndo s VAL 678 CO -0.04 0.44 0.65 -0.62 0.00 0.00 0.00 175.10 175.53 1ndo s ASP 679 N 0.23 6.22 0.06 3.32 -1.08 -1.26 -0.83 116.67 123.33 1ndo s ASP 679 Ca -0.09 -2.75 -0.30 0.00 -0.52 0.00 0.00 52.55 48.88 1ndo s ASP 679 Cb -0.14 -2.08 -0.09 0.00 -1.46 0.00 0.00 42.92 39.14 1ndo s ASP 679 CO 0.04 -0.50 1.94 -0.47 0.52 0.00 0.00 175.17 176.70 1ndo s TYR 680 N 0.08 1.49 0.26 -5.34 5.04 -0.63 -4.84 117.35 113.41 1ndo s TYR 680 Ca 0.18 -0.37 0.16 0.00 -2.44 0.00 0.00 57.07 54.60 1ndo s TYR 680 Cb -0.14 -4.24 0.70 0.00 0.35 0.00 0.00 41.96 38.63 1ndo s TYR 680 CO -0.07 -5.45 1.76 -1.00 -1.34 0.00 0.00 175.55 169.46 1ndo h PRO 681 N 10.09 0.00 -5.27 4.97 0.13 -1.90 -3.42 132.00 136.60 1ndo h PRO 681 Ca -0.49 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.02 1ndo h PRO 681 Cb 1.23 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 1ndo h PRO 681 CO 0.94 0.40 -0.17 -1.21 -0.23 0.00 0.00 178.00 177.74 1ndo s GLU 682 N -3.81 4.07 0.09 0.86 2.02 -1.26 -4.97 118.70 115.70 1ndo s GLU 682 Ca -0.01 0.16 -0.19 0.00 0.02 0.00 0.00 54.97 54.94 1ndo s GLU 682 Cb 0.12 -3.62 -0.07 0.00 0.10 0.00 0.00 34.13 30.65 1ndo s GLU 682 CO 0.70 -0.24 1.60 -0.09 0.02 0.00 0.00 175.26 177.25 1ndo h ARG 683 N 7.93 0.38 -4.80 1.61 9.65 -1.91 -3.40 114.38 123.84 1ndo h ARG 683 Ca -0.32 -0.09 -0.67 0.00 -1.10 0.00 0.00 59.98 57.81 1ndo h ARG 683 Cb 1.16 -0.05 -0.21 0.00 -1.39 0.00 0.00 29.97 29.48 1ndo h ARG 683 CO 0.68 0.47 -0.54 0.42 2.80 0.00 0.00 179.97 183.80 1ndo s ILE 684 N -5.35 4.84 0.23 1.20 1.01 -1.26 -4.99 121.20 116.89 1ndo s ILE 684 Ca -0.14 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 1ndo s ILE 684 Cb 0.08 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 1ndo s ILE 684 CO 0.73 0.10 1.16 -0.76 0.00 0.00 0.00 174.94 176.17 1ndo s LEU 685 N 1.66 4.49 -0.19 2.97 1.43 -1.26 -4.91 118.68 122.86 1ndo s LEU 685 Ca 0.05 2.27 0.12 0.00 -1.03 0.00 0.00 54.13 55.55 1ndo s LEU 685 Cb -0.17 -3.62 0.40 0.00 0.03 0.00 0.00 46.19 42.83 1ndo s LEU 685 CO 0.08 -0.29 1.21 0.00 0.23 0.00 0.00 176.35 177.57 1ndo n GLN 686 N 1.89 1.52 -0.24 1.70 1.13 -1.26 -4.65 117.38 117.46 1ndo n GLN 686 Ca 0.02 -3.17 0.09 0.00 -1.94 0.00 0.00 57.00 51.99 1ndo n GLN 686 Cb 0.45 -1.58 0.16 0.00 0.11 0.00 0.00 30.24 29.37 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 -1.15 1.94 0.00 5.09 -2.24 -1.26 -4.96 114.28 111.70 1ndo n THR 687 Ca 0.18 -2.51 0.00 0.00 -2.27 0.00 0.00 64.05 59.45 1ndo n THR 687 Cb 0.69 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.31 0.00 -3.88 4.78 8.25 -1.26 -4.74 115.22 117.06 1ndo n HIS 688 Ca 0.17 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.58 1ndo n HIS 688 Cb 0.66 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.79 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 0.02 -0.32 0.41 2.20 -1.26 -5.05 114.94 110.95 1ndo s ASN 689 Ca 0.00 -0.83 0.06 0.00 -0.94 0.00 0.00 52.86 51.16 1ndo s ASN 689 Cb 0.00 0.59 0.46 0.00 -2.00 0.00 0.00 41.25 40.30 1ndo s ASN 689 CO 0.00 -1.18 1.25 -0.11 -2.94 0.00 0.00 177.10 174.12 1ndo n LEU 690 N -0.68 5.06 -1.94 3.54 7.94 -1.26 -4.89 117.00 124.77 1ndo n LEU 690 Ca -0.04 -4.69 -0.11 0.00 -1.11 0.00 0.00 56.01 50.06 1ndo n LEU 690 Cb 0.59 -0.39 -0.13 0.00 0.53 0.00 0.00 43.42 44.02 1ndo n LEU 690 CO 0.23 2.04 1.51 0.23 -1.11 0.00 0.00 177.39 180.29 1ndo n MET 691 N -0.74 1.85 -4.21 1.96 2.81 -1.26 -4.82 117.12 112.71 1ndo n MET 691 Ca 0.45 -0.92 -0.15 0.00 -1.81 0.00 0.00 57.70 55.27 1ndo n MET 691 Cb 0.94 -1.84 -0.11 0.00 -0.71 0.00 0.00 33.22 31.51 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 0.60 1.08 -0.45 2.03 -7.23 -1.26 -5.10 120.40 110.07 1ndo s VAL 692 Ca 0.55 -1.81 -0.19 0.00 -1.81 0.00 0.00 61.98 58.71 1ndo s VAL 692 Cb 0.27 -1.57 0.03 0.00 0.56 0.00 0.00 36.38 35.67 1ndo s VAL 692 CO -0.01 -0.61 0.57 -0.36 -0.31 0.00 0.00 175.10 174.38 1ndo s PHE 693 N -2.74 3.10 -2.00 2.82 0.08 -1.26 -5.16 117.98 112.81 1ndo s PHE 693 Ca 0.10 -0.29 0.28 0.00 0.12 0.00 0.00 56.93 57.15 1ndo s PHE 693 Cb -0.01 -3.25 1.70 0.00 -0.57 0.00 0.00 43.02 40.89 1ndo s PHE 693 CO 0.01 -0.86 2.04 1.28 -0.10 0.00 0.00 175.22 177.59