#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7h s ILE 503 N 0.00 4.06 -0.42 1.12 1.01 -1.26 -5.07 121.20 120.64 1o7h s ILE 503 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 1o7h s ILE 503 Cb 0.00 -2.79 0.07 0.00 0.01 0.00 0.00 42.46 39.75 1o7h s ILE 503 CO 0.00 0.48 0.27 0.21 0.00 0.00 0.00 174.94 175.90 1o7h s ASN 504 N 0.43 5.69 0.32 3.58 3.84 -1.26 -4.97 114.94 122.58 1o7h s ASN 504 Ca -0.02 -1.46 0.25 0.00 0.21 0.00 0.00 52.86 51.84 1o7h s ASN 504 Cb -0.14 -2.01 1.11 0.00 -0.55 0.00 0.00 41.25 39.67 1o7h s ASN 504 CO 0.02 -0.54 1.76 0.16 -2.79 0.00 0.00 177.10 175.72 1o7h h ILE 505 N 6.03 0.00 0.00 -5.21 -2.65 -1.90 0.58 117.51 114.36 1o7h h ILE 505 Ca -0.23 -0.22 -0.15 0.00 1.03 0.00 0.00 64.86 65.28 1o7h h ILE 505 Cb 1.09 0.95 -0.02 0.00 -2.05 0.00 0.00 36.82 36.79 1o7h h ILE 505 CO 0.76 0.00 -0.73 1.56 0.03 0.00 0.00 178.15 179.77 1o7h h GLN 506 N 0.00 0.00 0.00 0.16 4.20 -1.93 -3.30 115.11 114.24 1o7h h GLN 506 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1o7h h GLN 506 Cb 0.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1o7h h GLN 506 CO 0.00 0.73 -1.02 0.39 -0.67 0.00 0.00 178.83 178.26 1o7h n GLU 507 N -3.44 0.52 -2.55 1.46 1.02 -0.28 -4.51 120.64 112.86 1o7h n GLU 507 Ca 0.00 0.56 -0.43 0.00 -0.02 0.00 0.00 57.16 57.27 1o7h n GLU 507 Cb 0.77 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1o7h n GLU 507 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1o7h n ASP 508 N -4.50 4.89 0.32 1.62 10.43 0.19 -4.82 116.55 124.69 1o7h n ASP 508 Ca -0.24 -2.92 0.20 0.00 2.57 0.00 0.00 54.79 54.41 1o7h n ASP 508 Cb 0.54 -1.73 1.10 0.00 1.84 0.00 0.00 41.12 42.87 1o7h n ASP 508 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1o7h h LYS 509 N 7.42 0.00 -0.01 -1.24 1.57 -1.79 -1.81 116.57 120.72 1o7h h LYS 509 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1o7h h LYS 509 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1o7h h LYS 509 CO 1.47 0.01 -0.29 1.28 -0.57 0.00 0.00 179.45 181.35 1o7h n LEU 510 N -3.27 0.94 -4.72 2.94 4.77 -1.26 -4.90 117.00 111.50 1o7h n LEU 510 Ca -0.03 -0.22 -0.39 0.00 -0.03 0.00 0.00 56.01 55.34 1o7h n LEU 510 Cb 0.10 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1o7h n LEU 510 CO 0.23 0.18 0.33 -0.69 -1.33 0.00 0.00 177.39 176.10 1o7h s VAL 511 N -2.57 5.09 0.49 4.08 1.01 -0.68 -5.04 120.40 122.79 1o7h s VAL 511 Ca 0.23 1.29 -0.20 0.00 0.00 0.00 0.00 61.98 63.30 1o7h s VAL 511 Cb 0.19 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 1o7h s VAL 511 CO 0.54 0.28 1.04 -0.94 0.00 0.00 0.00 175.10 176.01 1o7h s SER 512 N 0.74 6.32 0.23 3.32 1.04 -1.26 -4.89 113.70 119.20 1o7h s SER 512 Ca 0.34 1.91 -0.07 0.00 0.48 0.00 0.00 55.95 58.61 1o7h s SER 512 Cb -0.17 -2.56 0.28 0.00 0.10 0.00 0.00 66.02 63.67 1o7h s SER 512 CO 0.16 -0.80 1.86 0.00 0.98 0.00 0.00 173.24 175.44 1o7h h ALA 513 N 1.48 1.11 -0.15 5.32 0.00 -1.98 -1.30 119.26 123.73 1o7h h ALA 513 Ca -0.49 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1o7h h ALA 513 Cb 1.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1o7h h ALA 513 CO 0.59 0.31 0.05 1.25 0.00 0.00 0.00 179.25 181.45 1o7h h HIS 514 N 0.99 0.09 -0.51 0.00 -0.00 -2.00 -0.92 115.15 112.80 1o7h h HIS 514 Ca 0.34 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.73 1o7h h HIS 514 Cb 0.08 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.44 1o7h h HIS 514 CO -0.03 0.05 0.33 -0.44 -0.00 0.00 0.00 177.93 177.83 1o7h h ASP 515 N 0.12 0.55 -0.94 3.26 3.45 -1.82 -1.34 116.42 119.72 1o7h h ASP 515 Ca 0.06 -0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.53 1o7h h ASP 515 Cb 0.04 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 38.63 1o7h h ASP 515 CO -0.06 0.40 0.62 0.00 -1.57 0.00 0.00 179.24 178.62 1o7h h ALA 516 N 1.20 1.19 -0.18 3.45 0.00 -1.06 -1.61 119.26 122.26 1o7h h ALA 516 Ca 0.20 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1o7h h ALA 516 Cb -0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1o7h h ALA 516 CO -0.06 0.57 0.01 0.93 0.00 0.00 0.00 179.25 180.69 1o7h h GLU 517 N 1.25 0.07 -0.63 0.00 5.08 -0.31 -2.96 114.58 117.08 1o7h h GLU 517 Ca 0.35 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1o7h h GLU 517 Cb -0.12 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1o7h h GLU 517 CO -0.08 0.04 0.17 0.93 -1.00 0.00 0.00 179.01 179.07 1o7h h GLU 518 N 0.07 0.98 0.00 2.33 4.39 -0.77 -2.63 114.58 118.95 1o7h h GLU 518 Ca 0.08 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 1o7h h GLU 518 Cb 0.09 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1o7h h GLU 518 CO -0.13 0.86 -0.30 0.97 -1.16 0.00 0.00 179.01 179.25 1o7h h ILE 519 N 0.94 0.72 -0.34 3.13 2.10 -1.25 -3.05 117.51 119.77 1o7h h ILE 519 Ca 0.20 -1.32 -0.09 0.00 1.08 0.00 0.00 64.86 64.73 1o7h h ILE 519 Cb 0.32 1.85 -0.02 0.00 -1.09 0.00 0.00 36.82 37.88 1o7h h ILE 519 CO -0.00 0.29 -0.18 0.25 -1.08 0.00 0.00 178.15 177.43 1o7h h LEU 520 N 0.00 0.62 -1.69 2.19 5.85 -1.30 -2.66 115.31 118.31 1o7h h LEU 520 Ca -0.00 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1o7h h LEU 520 Cb 0.82 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1o7h h LEU 520 CO 0.04 0.81 -0.10 0.08 -0.34 0.00 0.00 178.44 178.92 1o7h h ARG 521 N 0.56 0.00 0.00 1.25 0.11 -1.57 -3.05 114.38 111.67 1o7h h ARG 521 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1o7h h ARG 521 Cb 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1o7h h ARG 521 CO 0.04 0.10 -1.44 1.19 0.10 0.00 0.00 179.97 179.97 1o7h n PHE 522 N -3.35 0.53 0.07 4.08 3.72 -1.03 -4.34 117.46 117.13 1o7h n PHE 522 Ca -0.01 0.15 -0.06 0.00 -0.05 0.00 0.00 57.45 57.48 1o7h n PHE 522 Cb 0.29 -0.75 -0.11 0.00 -0.94 0.00 0.00 39.48 37.98 1o7h n PHE 522 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 1o7h h PHE 523 N 0.00 0.00 0.12 1.38 -1.00 -1.38 -3.39 116.94 112.66 1o7h h PHE 523 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1o7h h PHE 523 Cb 0.99 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.55 1o7h h PHE 523 CO 0.00 0.97 -0.06 -0.91 -1.61 0.00 0.00 178.31 176.70 1o7h h ASN 524 N 0.00 -0.14 -3.66 2.17 2.35 -1.75 -3.44 115.58 111.11 1o7h h ASN 524 Ca -0.01 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.05 1o7h h ASN 524 Cb 1.74 0.04 -0.28 0.00 0.05 0.00 0.00 38.32 39.86 1o7h h ASN 524 CO 0.13 -0.01 -0.61 0.00 -1.65 0.00 0.00 177.43 175.28 1o7h s HIS 526 N 1.42 3.13 -0.61 0.00 2.46 -1.26 -4.88 115.29 115.55 1o7h s HIS 526 Ca -0.01 -0.83 -0.18 0.00 0.47 0.00 0.00 55.06 54.50 1o7h s HIS 526 Cb -0.19 -3.52 0.11 0.00 -0.13 0.00 0.00 32.58 28.85 1o7h s HIS 526 CO 0.03 -0.99 0.70 0.34 -2.47 0.00 0.00 174.74 172.34 1o7h s ASP 527 N 2.93 6.22 0.45 9.88 -1.08 -1.26 -4.92 116.67 128.88 1o7h s ASP 527 Ca 0.09 -1.55 0.18 0.00 -0.52 0.00 0.00 52.55 50.75 1o7h s ASP 527 Cb -0.23 -2.29 1.13 0.00 -1.46 0.00 0.00 42.92 40.07 1o7h s ASP 527 CO 0.08 -1.06 1.93 -1.28 0.52 0.00 0.00 175.17 175.36 1o7h h SER 528 N 9.08 0.31 1.62 -0.34 0.87 -1.96 -0.18 113.55 122.94 1o7h h SER 528 Ca -0.26 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 1o7h h SER 528 Cb 1.08 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1o7h h SER 528 CO 1.08 0.16 -0.39 0.00 -0.53 0.00 0.00 176.83 177.15 1o7h h ALA 529 N 1.65 0.77 -0.08 6.23 0.00 -1.99 -2.93 119.26 122.91 1o7h h ALA 529 Ca 0.36 -0.32 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1o7h h ALA 529 Cb 0.94 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1o7h h ALA 529 CO -0.10 0.43 -0.87 1.25 0.00 0.00 0.00 179.25 179.96 1o7h h LEU 530 N 0.00 0.84 -1.13 0.00 5.85 -1.44 -1.44 115.31 117.99 1o7h h LEU 530 Ca -0.01 -0.60 -0.06 0.00 0.84 0.00 0.00 57.88 58.05 1o7h h LEU 530 Cb 1.26 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1o7h h LEU 530 CO 0.04 1.39 -0.06 -0.61 -0.34 0.00 0.00 178.44 178.87 1o7h h GLN 531 N 0.44 0.54 -0.10 1.25 -0.00 -1.36 0.76 115.11 116.64 1o7h h GLN 531 Ca -0.08 -0.14 -0.22 0.00 -0.00 0.00 0.00 58.65 58.22 1o7h h GLN 531 Cb 1.50 -0.07 0.01 0.00 0.00 0.00 0.00 27.48 28.93 1o7h h GLN 531 CO 0.17 0.61 -0.80 1.96 0.00 0.00 0.00 178.83 180.77 1o7h h GLN 532 N 0.51 0.72 -0.11 1.69 7.50 -1.41 -0.57 115.11 123.44 1o7h h GLN 532 Ca 0.10 -0.64 0.02 0.00 0.50 0.00 0.00 58.65 58.64 1o7h h GLN 532 Cb 0.42 0.15 -0.02 0.00 0.05 0.00 0.00 27.48 28.07 1o7h h GLN 532 CO 0.02 1.24 -0.04 1.49 -1.50 0.00 0.00 178.83 180.04 1o7h h GLU 533 N 0.42 -0.03 -0.62 1.46 4.81 -0.90 -1.15 114.58 118.57 1o7h h GLU 533 Ca -0.07 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1o7h h GLU 533 Cb 1.44 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.77 1o7h h GLU 533 CO 0.16 -0.02 0.27 0.00 -0.73 0.00 0.00 179.01 178.69 1o7h h ALA 534 N 1.08 0.81 -0.06 2.92 0.00 -0.71 0.17 119.26 123.47 1o7h h ALA 534 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1o7h h ALA 534 Cb 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1o7h h ALA 534 CO -0.13 -0.13 -0.03 1.15 0.00 0.00 0.00 179.25 180.12 1o7h h THR 535 N 0.48 0.91 -0.35 0.00 2.02 -0.77 -0.25 112.91 114.95 1o7h h THR 535 Ca 0.30 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.50 1o7h h THR 535 Cb 0.32 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1o7h h THR 535 CO -0.26 0.00 0.18 0.74 0.37 0.00 0.00 175.52 176.55 1o7h h THR 536 N -0.02 1.00 -0.25 3.16 2.02 -0.44 0.50 112.91 118.87 1o7h h THR 536 Ca 0.03 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1o7h h THR 536 Cb 0.07 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1o7h h THR 536 CO -0.07 0.07 0.07 -0.07 0.37 0.00 0.00 175.52 175.88 1o7h h LEU 537 N 0.37 0.06 -0.81 2.58 3.38 -0.03 -1.32 115.31 119.54 1o7h h LEU 537 Ca 0.14 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1o7h h LEU 537 Cb 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1o7h h LEU 537 CO -0.09 0.07 -0.31 -0.07 0.09 0.00 0.00 178.44 178.12 1o7h h LEU 538 N 0.17 0.55 -0.29 1.67 3.38 -0.86 -1.72 115.31 118.22 1o7h h LEU 538 Ca 0.11 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1o7h h LEU 538 Cb 0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1o7h h LEU 538 CO -0.13 0.84 -0.12 0.74 0.09 0.00 0.00 178.44 179.86 1o7h h THR 539 N 0.46 1.29 -0.73 0.22 2.02 -0.47 -0.87 112.91 114.83 1o7h h THR 539 Ca 0.06 -1.20 -0.06 0.00 0.77 0.00 0.00 66.41 65.98 1o7h h THR 539 Cb 0.77 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1o7h h THR 539 CO 0.06 0.38 0.23 1.56 0.37 0.00 0.00 175.52 178.12 1o7h h GLN 540 N 0.34 1.13 -0.63 6.66 4.20 -1.25 -0.08 115.11 125.49 1o7h h GLN 540 Ca 0.07 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1o7h h GLN 540 Cb 0.63 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1o7h h GLN 540 CO 0.04 0.97 0.18 1.49 -0.67 0.00 0.00 178.83 180.84 1o7h h GLU 541 N 1.08 0.98 -0.38 1.46 4.81 -1.18 -1.06 114.58 120.30 1o7h h GLU 541 Ca 0.24 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1o7h h GLU 541 Cb 0.30 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1o7h h GLU 541 CO -0.01 0.88 -0.17 0.00 -0.73 0.00 0.00 179.01 178.98 1o7h h ALA 542 N 1.06 1.00 -0.06 2.92 0.00 -0.94 -1.23 119.26 122.02 1o7h h ALA 542 Ca 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1o7h h ALA 542 Cb 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1o7h h ALA 542 CO -0.00 0.59 0.02 1.25 0.00 0.00 0.00 179.25 181.11 1o7h h HIS 543 N 0.63 0.10 -0.48 0.00 -0.00 -0.69 0.40 115.15 115.10 1o7h h HIS 543 Ca 0.10 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.47 1o7h h HIS 543 Cb 0.64 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.99 1o7h h HIS 543 CO 0.03 0.28 0.30 -0.07 -0.00 0.00 0.00 177.93 178.47 1o7h h LEU 544 N -0.11 0.51 -0.62 0.26 3.38 -1.07 -2.11 115.31 115.54 1o7h h LEU 544 Ca 0.02 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1o7h h LEU 544 Cb 0.23 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1o7h h LEU 544 CO -0.00 0.36 0.21 -0.07 0.09 0.00 0.00 178.44 179.03 1o7h h LEU 545 N 0.61 0.89 -1.46 1.67 3.38 -1.03 -0.66 115.31 118.71 1o7h h LEU 545 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1o7h h LEU 545 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1o7h h LEU 545 CO -0.06 0.85 0.21 0.44 0.09 0.00 0.00 178.44 179.96 1o7h h ASP 546 N 0.88 0.51 -0.24 -0.43 5.19 0.13 -0.69 116.42 121.77 1o7h h ASP 546 Ca 0.20 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1o7h h ASP 546 Cb 0.27 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1o7h h ASP 546 CO -0.01 0.43 0.00 2.30 -3.12 0.00 0.00 179.24 178.84 1o7h n ILE 547 N -4.41 0.31 -2.31 0.35 -5.35 -0.82 -4.25 119.36 102.88 1o7h n ILE 547 Ca 0.03 -0.47 -0.13 0.00 -0.27 0.00 0.00 62.75 61.91 1o7h n ILE 547 Cb 0.11 0.55 -0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1o7h n ILE 547 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o7h n GLN 548 N 0.69 -1.29 -1.75 6.28 6.02 -0.26 -4.92 117.38 122.15 1o7h n GLN 548 Ca 0.17 0.60 -0.40 0.00 -0.01 0.00 0.00 57.00 57.35 1o7h n GLN 548 Cb 0.41 -4.78 -0.01 0.00 1.02 0.00 0.00 30.24 26.88 1o7h n GLN 548 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1o7h n ALA 549 N -1.79 6.89 -0.08 -1.58 0.00 -0.29 -4.73 120.51 118.93 1o7h n ALA 549 Ca -0.14 -3.88 0.05 0.00 0.00 0.00 0.00 53.44 49.47 1o7h n ALA 549 Cb 0.61 -3.07 0.39 0.00 0.00 0.00 0.00 19.45 17.37 1o7h n ALA 549 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1o7h h TYR 550 N 4.95 0.62 -0.23 0.00 -1.99 -1.91 0.16 116.97 118.57 1o7h h TYR 550 Ca 0.73 0.02 -0.11 0.00 2.00 0.00 0.00 58.73 61.37 1o7h h TYR 550 Cb 0.35 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.86 1o7h h TYR 550 CO 1.67 0.37 -0.28 0.00 -0.00 0.00 0.00 178.16 179.93 1o7h h ARG 551 N 0.65 0.59 -0.76 4.88 3.08 -1.95 -0.80 114.38 120.07 1o7h h ARG 551 Ca 0.21 -0.33 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1o7h h ARG 551 Cb 0.04 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1o7h h ARG 551 CO -0.05 0.93 0.49 0.00 -1.07 0.00 0.00 179.97 180.27 1o7h h ALA 552 N 0.65 0.98 0.22 0.04 0.00 -1.76 0.96 119.26 120.34 1o7h h ALA 552 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1o7h h ALA 552 Cb 0.85 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1o7h h ALA 552 CO 0.07 0.31 -0.40 2.35 0.00 0.00 0.00 179.25 181.58 1o7h h TRP 553 N 0.97 -1.11 -0.64 0.00 7.01 -0.45 0.17 115.95 121.90 1o7h h TRP 553 Ca 0.30 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.40 1o7h h TRP 553 Cb -0.03 0.46 -0.06 0.00 -2.10 0.00 0.00 29.16 27.42 1o7h h TRP 553 CO -0.03 -0.52 0.30 1.25 -2.79 0.00 0.00 178.44 176.65 1o7h h LEU 554 N -0.70 0.38 -0.53 0.65 5.85 -0.46 0.38 115.31 120.89 1o7h h LEU 554 Ca 0.00 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 1o7h h LEU 554 Cb 0.69 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1o7h h LEU 554 CO -0.18 0.23 -0.15 -0.33 -0.34 0.00 0.00 178.44 177.68 1o7h h GLU 555 N 0.53 1.03 0.00 1.25 5.08 -0.22 -3.07 114.58 119.19 1o7h h GLU 555 Ca 0.31 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1o7h h GLU 555 Cb 0.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1o7h h GLU 555 CO -0.25 1.09 -1.64 1.58 -1.00 0.00 0.00 179.01 178.79 1o7h n HIS 556 N -4.14 0.00 0.02 4.33 -0.00 0.55 -4.70 115.22 111.29 1o7h n HIS 556 Ca 0.01 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.22 1o7h n HIS 556 Cb 0.43 -0.33 -0.04 0.00 -0.12 0.00 0.00 29.99 29.92 1o7h n HIS 556 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1o7h s VAL 558 N -2.29 3.37 0.45 0.00 1.01 -1.16 0.63 120.40 122.41 1o7h s VAL 558 Ca -0.02 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 1o7h s VAL 558 Cb 0.03 -2.49 -0.10 0.00 0.00 0.00 0.00 36.38 33.83 1o7h s VAL 558 CO 0.22 0.47 0.97 -0.83 0.00 0.00 0.00 175.10 175.93 1o7h s GLY 559 N 0.87 2.37 0.60 4.51 0.00 0.91 -4.78 107.32 111.79 1o7h s GLY 559 Ca -0.02 0.40 0.37 0.00 0.00 0.00 0.00 44.72 45.48 1o7h s GLY 559 CO 0.01 0.69 2.19 1.48 0.00 0.00 0.00 173.10 177.47 1o7h h SER 560 N 1.73 0.00 -0.59 1.64 4.64 -1.96 -1.00 113.55 118.01 1o7h h SER 560 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1o7h h SER 560 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1o7h h SER 560 CO 0.61 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.97 1o7h n GLU 561 N -3.23 4.19 -1.67 4.77 -0.58 -1.26 -4.40 120.64 118.46 1o7h n GLU 561 Ca -0.02 -3.00 -0.40 0.00 -0.42 0.00 0.00 57.16 53.32 1o7h n GLU 561 Cb 0.18 -2.05 0.03 0.00 -0.57 0.00 0.00 31.44 29.03 1o7h n GLU 561 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1o7h n VAL 562 N 0.81 3.07 -4.10 2.62 3.14 -0.38 -4.87 118.33 118.62 1o7h n VAL 562 Ca 0.26 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.82 1o7h n VAL 562 Cb 1.02 -1.39 -0.16 0.00 -1.06 0.00 0.00 33.84 32.26 1o7h n VAL 562 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1o7h s GLN 563 N -2.44 2.71 -0.43 1.45 0.74 -0.54 -4.04 119.66 117.12 1o7h s GLN 563 Ca 0.67 -1.03 -0.07 0.00 0.05 0.00 0.00 55.36 54.99 1o7h s GLN 563 Cb -0.48 -2.70 0.10 0.00 1.10 0.00 0.00 33.01 31.03 1o7h s GLN 563 CO 0.53 -0.35 0.26 -0.47 -0.55 0.00 0.00 175.29 174.71 1o7h s TYR 564 N 1.22 3.44 -0.08 1.67 5.04 0.06 -1.25 117.35 127.45 1o7h s TYR 564 Ca -0.00 -1.94 0.04 0.00 -2.44 0.00 0.00 57.07 52.72 1o7h s TYR 564 Cb -0.16 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 38.97 1o7h s TYR 564 CO -0.10 -0.94 -0.20 -1.14 -1.34 0.00 0.00 175.55 171.83 1o7h s GLN 565 N 1.31 2.54 -0.14 4.97 0.74 0.43 -1.02 119.66 128.47 1o7h s GLN 565 Ca 0.05 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 1o7h s GLN 565 Cb -0.24 -1.99 0.04 0.00 1.10 0.00 0.00 33.01 31.92 1o7h s GLN 565 CO -0.01 0.16 -0.03 0.08 -0.55 0.00 0.00 175.29 174.94 1o7h s VAL 566 N 0.35 0.87 0.29 1.34 1.01 -0.54 -1.36 120.40 122.36 1o7h s VAL 566 Ca -0.15 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1o7h s VAL 566 Cb -0.16 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1o7h s VAL 566 CO 0.07 0.15 0.17 0.27 0.00 0.00 0.00 175.10 175.76 1o7h s ILE 567 N 1.74 3.80 -0.22 2.22 -4.36 0.58 0.35 121.20 125.32 1o7h s ILE 567 Ca 0.02 -1.54 -0.01 0.00 -0.26 0.00 0.00 60.65 58.86 1o7h s ILE 567 Cb -0.14 -3.17 0.06 0.00 1.25 0.00 0.00 42.46 40.45 1o7h s ILE 567 CO -0.07 -0.28 0.01 -0.55 0.24 0.00 0.00 174.94 174.28 1o7h s SER 568 N -3.85 3.33 0.01 4.36 0.15 -0.49 -0.92 113.70 116.30 1o7h s SER 568 Ca 0.35 -1.01 -0.27 0.00 0.70 0.00 0.00 55.95 55.72 1o7h s SER 568 Cb -0.06 -0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 1o7h s SER 568 CO 0.24 -0.29 0.85 -0.60 1.20 0.00 0.00 173.24 174.64 1o7h s ARG 569 N 1.68 4.53 0.33 5.44 3.52 -1.26 -1.84 118.95 131.35 1o7h s ARG 569 Ca -0.02 1.19 -0.29 0.00 -0.13 0.00 0.00 55.73 56.49 1o7h s ARG 569 Cb -0.18 -3.42 -0.10 0.00 -1.56 0.00 0.00 34.95 29.69 1o7h s ARG 569 CO -0.09 0.11 1.34 -2.00 -0.81 0.00 0.00 175.30 173.85 1o7h s GLU 570 N 0.51 4.32 -0.09 5.12 2.12 0.11 -4.90 118.70 125.89 1o7h s GLU 570 Ca 0.44 2.27 -0.30 0.00 0.36 0.00 0.00 54.97 57.74 1o7h s GLU 570 Cb -0.20 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1o7h s GLU 570 CO 0.24 -0.25 1.39 -0.51 -0.54 0.00 0.00 175.26 175.59 1o7h s LEU 571 N -1.73 4.26 0.08 2.70 1.02 -1.26 -4.97 118.68 118.78 1o7h s LEU 571 Ca 0.50 1.94 0.02 0.00 0.02 0.00 0.00 54.13 56.61 1o7h s LEU 571 Cb -0.41 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.22 1o7h s LEU 571 CO 0.54 -0.77 -0.07 -0.13 0.02 0.00 0.00 176.35 175.93 1o7h s ARG 572 N 3.24 0.76 0.32 1.70 1.81 -1.26 -5.13 118.95 120.38 1o7h s ARG 572 Ca 0.62 -1.17 -0.28 0.00 -1.72 0.00 0.00 55.73 53.18 1o7h s ARG 572 Cb -0.27 -0.26 -0.13 0.00 -0.45 0.00 0.00 34.95 33.84 1o7h s ARG 572 CO 0.22 0.01 1.23 0.00 -0.68 0.00 0.00 175.30 176.08 1o7h n ALA 573 N 0.41 0.89 0.13 2.13 0.00 -1.26 -4.84 120.51 117.98 1o7h n ALA 573 Ca -0.15 0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1o7h n ALA 573 Cb 0.59 -2.20 0.64 0.00 0.00 0.00 0.00 19.45 18.48 1o7h n ALA 573 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o7h h ALA 574 N 2.54 2.16 -0.82 0.00 0.00 -2.03 -2.11 119.26 119.00 1o7h h ALA 574 Ca -0.44 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.06 1o7h h ALA 574 Cb 1.30 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.85 1o7h h ALA 574 CO 0.63 -0.23 0.44 -1.13 0.00 0.00 0.00 179.25 178.96 1o7h n SER 575 N -4.47 3.69 -4.69 0.00 3.41 -1.26 -4.97 113.62 105.33 1o7h n SER 575 Ca 0.03 -3.57 -0.39 0.00 -0.26 0.00 0.00 58.87 54.68 1o7h n SER 575 Cb 0.29 -0.78 -0.06 0.00 -0.26 0.00 0.00 64.21 63.40 1o7h n SER 575 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1o7h s GLU 576 N -3.23 4.29 0.00 4.33 2.56 -0.80 -4.91 118.70 120.94 1o7h s GLU 576 Ca 0.54 0.60 0.00 0.00 0.00 0.00 0.00 54.97 56.11 1o7h s GLU 576 Cb 0.46 -3.51 0.00 0.00 2.00 0.00 0.00 34.13 33.08 1o7h s GLU 576 CO 0.09 -0.05 0.25 2.89 -0.56 0.00 0.00 175.26 177.88 1o7h n ARG 577 N 4.36 0.00 -0.09 4.30 0.00 -1.26 -4.90 116.66 119.07 1o7h n ARG 577 Ca -0.03 -0.25 -0.15 0.00 -0.00 0.00 0.00 57.85 57.41 1o7h n ARG 577 Cb 0.51 -0.48 -0.08 0.00 -0.00 0.00 0.00 32.46 32.41 1o7h n ARG 577 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1o7h n ARG 578 N 0.00 0.43 -2.13 2.89 1.74 -1.26 -4.94 116.66 113.38 1o7h n ARG 578 Ca 0.00 0.13 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 1o7h n ARG 578 Cb 0.38 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 1o7h n ARG 578 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1o7h s TYR 579 N -2.35 2.10 -0.26 -1.55 5.04 -1.26 -4.90 117.35 114.16 1o7h s TYR 579 Ca -0.25 0.60 0.12 0.00 -2.44 0.00 0.00 57.07 55.10 1o7h s TYR 579 Cb 0.08 -4.06 0.47 0.00 0.35 0.00 0.00 41.96 38.80 1o7h s TYR 579 CO 0.38 -2.75 1.17 1.63 -1.34 0.00 0.00 175.55 174.64 1o7h n LYS 580 N 7.88 2.79 -2.91 4.97 5.02 -1.26 -5.06 118.16 129.60 1o7h n LYS 580 Ca 0.19 -3.83 -0.25 0.00 -2.02 0.00 0.00 58.31 52.41 1o7h n LYS 580 Cb 0.46 -1.95 0.01 0.00 -0.02 0.00 0.00 35.03 33.52 1o7h n LYS 580 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o7h s LEU 581 N -3.46 3.66 -0.24 -0.35 1.02 -1.26 -4.91 118.68 113.14 1o7h s LEU 581 Ca 0.43 0.52 -0.22 0.00 0.02 0.00 0.00 54.13 54.88 1o7h s LEU 581 Cb 0.38 -3.40 -0.09 0.00 0.02 0.00 0.00 46.19 43.10 1o7h s LEU 581 CO 0.00 -0.64 0.93 0.59 0.02 0.00 0.00 176.35 177.25 1o7h n ASN 582 N -2.13 0.44 0.09 2.29 5.03 -1.26 -4.82 115.26 114.90 1o7h n ASN 582 Ca 0.00 0.41 -0.05 0.00 0.87 0.00 0.00 54.58 55.82 1o7h n ASN 582 Cb 0.57 -0.43 0.10 0.00 -1.02 0.00 0.00 39.78 39.00 1o7h n ASN 582 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1o7h h GLU 583 N 3.62 0.19 -4.64 3.52 5.08 -1.97 -3.47 114.58 116.91 1o7h h GLU 583 Ca -0.11 -0.15 -0.22 0.00 -1.00 0.00 0.00 59.36 57.88 1o7h h GLU 583 Cb 0.67 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.80 1o7h h GLU 583 CO 0.50 0.78 -0.70 0.00 -1.00 0.00 0.00 179.01 178.60 1o7h s ALA 584 N -3.62 0.94 0.32 3.43 0.00 -1.26 0.06 121.76 121.63 1o7h s ALA 584 Ca -0.03 -1.30 0.09 0.00 0.00 0.00 0.00 51.96 50.71 1o7h s ALA 584 Cb 0.12 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1o7h s ALA 584 CO 0.80 -0.22 0.05 0.00 0.00 0.00 0.00 175.76 176.39 1o7h s MET 585 N -3.66 2.22 -0.39 0.00 0.23 -0.77 -4.94 119.30 112.00 1o7h s MET 585 Ca 0.10 -1.61 -0.15 0.00 -1.03 0.00 0.00 55.69 53.00 1o7h s MET 585 Cb 0.04 -2.06 0.01 0.00 -1.53 0.00 0.00 34.83 31.29 1o7h s MET 585 CO -0.04 0.18 0.32 -0.80 -2.03 0.00 0.00 175.02 172.64 1o7h s ASN 586 N -3.75 6.12 0.19 -1.18 0.01 -1.26 -1.39 114.94 113.67 1o7h s ASN 586 Ca 0.35 -0.67 -0.05 0.00 -0.71 0.00 0.00 52.86 51.78 1o7h s ASN 586 Cb -0.02 -2.17 0.10 0.00 0.41 0.00 0.00 41.25 39.56 1o7h s ASN 586 CO 0.21 -0.41 1.53 0.58 -1.51 0.00 0.00 177.10 177.50 1o7h h VAL 587 N 5.60 1.29 -3.91 1.60 2.07 -0.43 -3.43 116.25 119.04 1o7h h VAL 587 Ca -0.28 -1.60 -0.28 0.00 0.82 0.00 0.00 66.70 65.36 1o7h h VAL 587 Cb 1.13 1.51 -0.25 0.00 -1.52 0.00 0.00 31.29 32.16 1o7h h VAL 587 CO 0.71 0.52 -0.74 -0.31 0.02 0.00 0.00 177.57 177.77 1o7h s TYR 588 N -4.27 0.46 -0.48 1.57 1.51 -0.58 -4.92 117.35 110.65 1o7h s TYR 588 Ca -0.09 -0.25 0.05 0.00 -1.01 0.00 0.00 57.07 55.78 1o7h s TYR 588 Cb 0.12 -0.29 0.24 0.00 -0.11 0.00 0.00 41.96 41.92 1o7h s TYR 588 CO 0.85 -0.05 0.92 -1.71 -1.11 0.00 0.00 175.55 174.45 1o7h n ASN 589 N 2.37 -2.78 -4.73 2.29 5.15 -1.11 -1.47 115.26 114.98 1o7h n ASN 589 Ca -0.17 -3.15 -0.35 0.00 -0.60 0.00 0.00 54.58 50.31 1o7h n ASN 589 Cb 0.57 1.73 -0.09 0.00 -0.53 0.00 0.00 39.78 41.47 1o7h n ASN 589 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1o7h s GLU 590 N 0.65 3.07 0.61 1.20 0.41 -0.19 -4.89 118.70 119.55 1o7h s GLU 590 Ca 0.31 -0.37 0.04 0.00 -0.41 0.00 0.00 54.97 54.54 1o7h s GLU 590 Cb 0.22 -2.87 0.08 0.00 -1.78 0.00 0.00 34.13 29.78 1o7h s GLU 590 CO -0.23 0.71 0.84 0.54 -0.49 0.00 0.00 175.26 176.63 1o7h s ASN 591 N -1.02 4.92 0.25 -0.19 2.20 -1.26 -0.76 114.94 119.08 1o7h s ASN 591 Ca 0.15 -0.44 -0.03 0.00 -0.94 0.00 0.00 52.86 51.60 1o7h s ASN 591 Cb -0.12 -0.18 0.45 0.00 -2.00 0.00 0.00 41.25 39.40 1o7h s ASN 591 CO 0.04 -1.43 1.78 0.15 -2.94 0.00 0.00 177.10 174.70 1o7h h PHE 592 N -0.06 0.77 -0.15 1.54 3.04 -1.77 -0.76 116.94 119.56 1o7h h PHE 592 Ca -0.36 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.52 1o7h h PHE 592 Cb 1.28 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.56 1o7h h PHE 592 CO 0.17 0.25 -0.37 0.37 -2.02 0.00 0.00 178.31 176.71 1o7h h GLN 593 N 0.68 0.31 -0.41 1.11 -0.00 -1.94 -0.84 115.11 114.02 1o7h h GLN 593 Ca 0.42 -0.14 -0.14 0.00 -0.00 0.00 0.00 58.65 58.80 1o7h h GLN 593 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.97 1o7h h GLN 593 CO -0.31 0.64 -0.28 1.96 0.00 0.00 0.00 178.83 180.84 1o7h h GLN 594 N 0.26 0.90 -0.87 1.69 4.20 -1.62 -0.92 115.11 118.76 1o7h h GLN 594 Ca 0.03 -0.43 0.02 0.00 0.06 0.00 0.00 58.65 58.33 1o7h h GLN 594 Cb 0.77 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.50 1o7h h GLN 594 CO 0.06 1.08 0.57 -0.07 -0.67 0.00 0.00 178.83 179.80 1o7h h LEU 595 N 0.72 0.98 -1.02 1.46 3.38 -0.92 -1.91 115.31 118.00 1o7h h LEU 595 Ca 0.08 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1o7h h LEU 595 Cb 0.86 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1o7h h LEU 595 CO 0.08 0.70 0.14 0.50 0.09 0.00 0.00 178.44 179.94 1o7h h LYS 596 N 1.15 0.84 -0.35 1.13 1.63 -0.75 0.40 116.57 120.62 1o7h h LYS 596 Ca 0.33 -0.17 0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1o7h h LYS 596 Cb -0.09 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.39 1o7h h LYS 596 CO -0.08 0.76 0.20 0.28 -3.45 0.00 0.00 179.45 177.16 1o7h h VAL 597 N 0.81 1.04 -0.66 2.00 2.07 -0.58 0.19 116.25 121.12 1o7h h VAL 597 Ca 0.18 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1o7h h VAL 597 Cb 0.29 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1o7h h VAL 597 CO -0.00 0.08 0.22 0.03 0.02 0.00 0.00 177.57 177.92 1o7h h ARG 598 N 0.41 0.99 -0.23 1.57 3.08 -0.58 -0.10 114.38 119.53 1o7h h ARG 598 Ca 0.14 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1o7h h ARG 598 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1o7h h ARG 598 CO -0.07 0.83 0.04 0.28 -1.07 0.00 0.00 179.97 179.98 1o7h h VAL 599 N 0.96 1.23 -0.95 2.04 2.07 0.31 -0.91 116.25 121.00 1o7h h VAL 599 Ca 0.22 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1o7h h VAL 599 Cb 0.24 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1o7h h VAL 599 CO -0.01 0.24 0.58 -0.33 0.02 0.00 0.00 177.57 178.06 1o7h h GLU 600 N 0.18 1.28 -0.83 1.57 4.39 -0.67 -0.75 114.58 119.75 1o7h h GLU 600 Ca 0.07 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.69 1o7h h GLU 600 Cb 0.32 -0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 1o7h h GLU 600 CO 0.00 0.89 0.54 1.25 -1.16 0.00 0.00 179.01 180.54 1o7h h HIS 601 N 1.31 0.99 -0.36 4.33 2.76 -0.71 -0.38 115.15 123.10 1o7h h HIS 601 Ca 0.34 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.43 1o7h h HIS 601 Cb -0.07 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.55 1o7h h HIS 601 CO 0.00 0.58 -0.19 1.96 -1.30 0.00 0.00 177.93 178.99 1o7h h GLN 602 N 1.03 0.68 0.00 5.26 1.08 0.24 -3.19 115.11 120.21 1o7h h GLN 602 Ca 0.33 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1o7h h GLN 602 Cb 0.02 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1o7h h GLN 602 CO -0.09 0.83 -0.50 1.28 -0.95 0.00 0.00 178.83 179.39 1o7h n LEU 603 N -4.13 0.67 -4.67 1.46 4.77 -0.63 -4.90 117.00 109.56 1o7h n LEU 603 Ca 0.00 0.26 -0.47 0.00 -0.03 0.00 0.00 56.01 55.78 1o7h n LEU 603 Cb 0.40 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1o7h n LEU 603 CO 0.43 -0.05 1.23 -0.67 -1.33 0.00 0.00 177.39 177.00 1o7h n ASP 604 N -2.04 3.09 0.19 -1.43 4.64 -0.22 -4.87 116.55 115.91 1o7h n ASP 604 Ca 0.04 1.06 0.13 0.00 -1.38 0.00 0.00 54.79 54.65 1o7h n ASP 604 Cb 0.42 -1.41 0.67 0.00 -1.04 0.00 0.00 41.12 39.77 1o7h n ASP 604 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1o7h h PRO 605 N 6.45 0.00 -0.68 -0.67 0.13 -1.91 -1.88 132.00 133.45 1o7h h PRO 605 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1o7h h PRO 605 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1o7h h PRO 605 CO 0.89 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.70 1o7h n GLN 606 N -2.41 3.24 -2.39 0.86 6.02 -1.26 -4.74 117.38 116.69 1o7h n GLN 606 Ca -0.01 -2.70 -0.38 0.00 -0.01 0.00 0.00 57.00 53.91 1o7h n GLN 606 Cb 0.09 -1.74 -0.03 0.00 1.02 0.00 0.00 30.24 29.57 1o7h n GLN 606 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1o7h s ASN 607 N -0.93 5.99 0.46 1.08 3.84 -0.71 -4.78 114.94 119.89 1o7h s ASN 607 Ca 0.49 -0.81 0.12 0.00 0.21 0.00 0.00 52.86 52.87 1o7h s ASN 607 Cb 0.29 -2.56 1.03 0.00 -0.55 0.00 0.00 41.25 39.46 1o7h s ASN 607 CO 0.28 -1.95 2.06 -0.50 -2.79 0.00 0.00 177.10 174.19 1o7h h TRP 608 N 10.81 0.18 0.00 0.43 4.06 -1.89 -1.90 115.95 127.63 1o7h h TRP 608 Ca -0.01 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1o7h h TRP 608 Cb 1.04 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 1o7h h TRP 608 CO 1.20 0.18 0.00 0.41 -3.56 0.00 0.00 178.44 176.67 1o7h n GLY 609 N -1.31 -1.04 0.74 1.49 0.00 -1.26 -2.02 105.19 101.79 1o7h n GLY 609 Ca -0.01 0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1o7h n GLY 609 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o7h n ASN 610 N -1.85 2.14 -3.80 1.61 3.02 -0.71 -4.80 115.26 110.86 1o7h n ASN 610 Ca 0.02 -2.03 -0.23 0.00 -0.03 0.00 0.00 54.58 52.32 1o7h n ASN 610 Cb 0.16 -0.28 -0.17 0.00 -0.61 0.00 0.00 39.78 38.88 1o7h n ASN 610 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1o7h s SER 611 N -0.97 1.57 0.97 6.41 0.15 -0.86 -2.82 113.70 118.15 1o7h s SER 611 Ca 0.26 -0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.68 1o7h s SER 611 Cb 0.14 -0.49 0.17 0.00 -1.71 0.00 0.00 66.02 64.13 1o7h s SER 611 CO 0.17 -0.17 1.09 -2.16 1.20 0.00 0.00 173.24 173.37 1o7h s PRO 612 N 1.80 0.68 0.29 5.44 0.04 -1.26 -5.01 135.00 136.97 1o7h s PRO 612 Ca 0.03 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 1o7h s PRO 612 Cb -0.13 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 1o7h s PRO 612 CO -0.05 -2.66 1.42 1.17 0.04 0.00 0.00 177.00 176.92 1o7h n LYS 613 N -4.19 2.24 -1.50 4.56 4.81 -1.13 -4.83 118.16 118.13 1o7h n LYS 613 Ca 0.07 0.79 -0.31 0.00 -0.87 0.00 0.00 58.31 57.99 1o7h n LYS 613 Cb 0.55 -2.46 0.06 0.00 0.02 0.00 0.00 35.03 33.20 1o7h n LYS 613 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1o7h s LEU 614 N -0.45 3.11 -0.13 3.14 1.02 -1.26 -4.85 118.68 119.26 1o7h s LEU 614 Ca 0.63 1.67 -0.00 0.00 0.02 0.00 0.00 54.13 56.45 1o7h s LEU 614 Cb -0.58 -4.50 0.02 0.00 0.02 0.00 0.00 46.19 41.15 1o7h s LEU 614 CO 0.54 -1.59 -0.10 -0.13 0.02 0.00 0.00 176.35 175.09 1o7h s ARG 615 N -5.00 1.87 -0.02 1.70 1.81 -0.74 -5.00 118.95 113.57 1o7h s ARG 615 Ca 0.59 -0.40 0.04 0.00 -1.72 0.00 0.00 55.73 54.24 1o7h s ARG 615 Cb -0.15 -1.84 -0.03 0.00 -0.45 0.00 0.00 34.95 32.48 1o7h s ARG 615 CO 0.55 -0.26 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.72 1o7h s PHE 616 N 1.61 2.73 -0.09 -0.53 0.40 -1.26 -0.79 117.98 120.05 1o7h s PHE 616 Ca 0.05 -0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1o7h s PHE 616 Cb -0.13 -1.59 0.05 0.00 0.51 0.00 0.00 43.02 41.86 1o7h s PHE 616 CO -0.09 0.26 0.12 0.99 0.70 0.00 0.00 175.22 177.19 1o7h s THR 617 N -0.84 -0.19 0.02 0.64 2.01 -0.25 -4.78 115.64 112.25 1o7h s THR 617 Ca 0.14 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1o7h s THR 617 Cb -0.11 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1o7h s THR 617 CO 0.03 0.06 0.04 -0.13 -0.69 0.00 0.00 174.62 173.93 1o7h s ARG 618 N 2.23 2.87 -0.24 4.92 0.52 -1.26 -1.11 118.95 126.88 1o7h s ARG 618 Ca 0.04 -0.60 -0.00 0.00 -0.52 0.00 0.00 55.73 54.65 1o7h s ARG 618 Cb -0.13 -2.73 0.07 0.00 0.52 0.00 0.00 34.95 32.68 1o7h s ARG 618 CO -0.06 0.62 -0.00 -0.06 0.02 0.00 0.00 175.30 175.82 1o7h s PHE 619 N -1.18 1.95 -0.19 -0.53 0.08 -0.27 -4.98 117.98 112.85 1o7h s PHE 619 Ca 0.22 -1.53 -0.11 0.00 0.12 0.00 0.00 56.93 55.64 1o7h s PHE 619 Cb -0.12 -1.48 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 1o7h s PHE 619 CO 0.14 -0.74 0.16 0.42 -0.10 0.00 0.00 175.22 175.09 1o7h s ILE 620 N 1.54 5.39 0.30 0.64 -1.09 -1.26 -1.57 121.20 125.16 1o7h s ILE 620 Ca -0.02 0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.70 1o7h s ILE 620 Cb -0.18 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 1o7h s ILE 620 CO -0.09 0.43 0.28 0.42 -1.23 0.00 0.00 174.94 174.75 1o7h s THR 621 N 0.39 0.00 -1.49 2.92 -4.23 -0.42 -4.93 115.64 107.88 1o7h s THR 621 Ca 0.10 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 58.55 1o7h s THR 621 Cb -0.11 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.28 1o7h s THR 621 CO -0.01 0.00 0.98 0.59 -0.54 0.00 0.00 174.62 175.65 1o7h n ASN 622 N -1.25 -5.19 -4.71 3.99 4.13 -1.26 -1.28 115.26 109.69 1o7h n ASN 622 Ca 0.05 -0.68 -0.42 0.00 1.68 0.00 0.00 54.58 55.21 1o7h n ASN 622 Cb 0.63 -4.13 -0.03 0.00 -1.54 0.00 0.00 39.78 34.71 1o7h n ASN 622 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1o7h s VAL 623 N -3.28 3.28 0.03 2.41 1.01 -1.25 -4.17 120.40 118.43 1o7h s VAL 623 Ca 0.62 0.89 0.04 0.00 0.00 0.00 0.00 61.98 63.53 1o7h s VAL 623 Cb -0.30 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1o7h s VAL 623 CO 0.77 0.06 -0.13 -1.10 0.00 0.00 0.00 175.10 174.70 1o7h s GLN 624 N 1.33 0.87 -0.01 2.72 -0.21 0.73 -4.96 119.66 120.13 1o7h s GLN 624 Ca 0.65 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 55.37 1o7h s GLN 624 Cb -0.37 -0.84 0.01 0.00 1.00 0.00 0.00 33.01 32.80 1o7h s GLN 624 CO 0.30 0.21 -0.01 0.00 -2.12 0.00 0.00 175.29 173.67 1o7h s ALA 625 N -0.77 0.19 -0.20 6.09 0.00 -1.26 0.01 121.76 125.82 1o7h s ALA 625 Ca 0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 1o7h s ALA 625 Cb -0.07 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.00 1o7h s ALA 625 CO 0.01 0.01 0.49 0.00 0.00 0.00 0.00 175.76 176.27 1o7h s ALA 626 N 0.25 -1.26 0.52 0.00 0.00 0.10 -4.61 121.76 116.75 1o7h s ALA 626 Ca -0.02 1.69 -0.22 0.00 0.00 0.00 0.00 51.96 53.41 1o7h s ALA 626 Cb -0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 1o7h s ALA 626 CO -0.01 -0.28 1.25 -1.64 0.00 0.00 0.00 175.76 175.08 1o7h s MET 627 N 1.19 3.37 0.64 0.00 -1.94 -1.26 -0.27 119.30 121.03 1o7h s MET 627 Ca -0.07 1.96 -0.17 0.00 -1.71 0.00 0.00 55.69 55.70 1o7h s MET 627 Cb -0.07 -2.26 -0.01 0.00 2.01 0.00 0.00 34.83 34.51 1o7h s MET 627 CO -0.11 -0.92 1.16 0.34 -0.01 0.00 0.00 175.02 175.48 1o7h s ASP 628 N -1.25 4.97 0.10 3.03 2.15 0.12 -4.81 116.67 120.98 1o7h s ASP 628 Ca 0.69 2.22 -0.14 0.00 0.43 0.00 0.00 52.55 55.75 1o7h s ASP 628 Cb -0.34 -2.58 -0.12 0.00 -0.30 0.00 0.00 42.92 39.59 1o7h s ASP 628 CO 0.39 -1.73 1.35 0.58 -0.17 0.00 0.00 175.17 175.59 1o7h h VAL 629 N 0.33 1.30 0.00 1.11 2.07 -1.93 -3.39 116.25 115.73 1o7h h VAL 629 Ca -0.48 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1o7h h VAL 629 Cb 1.27 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1o7h h VAL 629 CO 0.54 0.56 -0.04 0.78 0.02 0.00 0.00 177.57 179.42 1o7h h ASN 630 N 0.49 0.00 -2.20 0.57 2.35 -1.97 -3.43 115.58 111.39 1o7h h ASN 630 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1o7h h ASN 630 Cb 1.15 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.46 1o7h h ASN 630 CO 0.12 0.11 1.16 -0.62 -1.65 0.00 0.00 177.43 176.55 1o7h s ASP 631 N -3.67 5.86 0.00 5.81 -1.08 -1.26 -4.83 116.67 117.51 1o7h s ASP 631 Ca -0.01 -0.21 0.05 0.00 -0.52 0.00 0.00 52.55 51.86 1o7h s ASP 631 Cb 0.00 -2.55 0.23 0.00 -1.46 0.00 0.00 42.92 39.15 1o7h s ASP 631 CO 0.02 -2.02 1.11 0.29 0.52 0.00 0.00 175.17 175.08 1o7h n LYS 632 N 9.30 0.03 -0.06 4.34 5.02 -1.26 -0.70 118.16 134.82 1o7h n LYS 632 Ca 0.10 0.35 0.09 0.00 -2.02 0.00 0.00 58.31 56.82 1o7h n LYS 632 Cb 0.50 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 34.12 1o7h n LYS 632 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1o7h n GLU 633 N -1.42 1.73 -3.46 1.97 1.02 -1.26 -4.89 120.64 114.33 1o7h n GLU 633 Ca 0.02 -1.72 -0.43 0.00 -0.02 0.00 0.00 57.16 55.00 1o7h n GLU 633 Cb 0.05 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 1o7h n GLU 633 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1o7h s LEU 634 N -1.34 5.21 -0.25 -4.62 1.43 0.12 -4.23 118.68 114.99 1o7h s LEU 634 Ca 0.24 -1.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.13 1o7h s LEU 634 Cb 0.15 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1o7h s LEU 634 CO 0.22 -0.50 0.50 -0.22 0.23 0.00 0.00 176.35 176.59 1o7h s LEU 635 N 1.65 4.07 -0.21 1.79 2.96 0.48 0.13 118.68 129.55 1o7h s LEU 635 Ca 0.04 0.53 -0.22 0.00 -0.22 0.00 0.00 54.13 54.26 1o7h s LEU 635 Cb -0.20 -2.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.82 1o7h s LEU 635 CO 0.09 -0.26 0.71 -1.00 -1.32 0.00 0.00 176.35 174.57 1o7h s HIS 636 N 2.18 3.36 -0.08 5.38 3.76 0.62 -0.29 115.29 130.22 1o7h s HIS 636 Ca 0.21 1.03 0.03 0.00 -0.15 0.00 0.00 55.06 56.18 1o7h s HIS 636 Cb -0.16 -2.90 0.01 0.00 1.11 0.00 0.00 32.58 30.64 1o7h s HIS 636 CO 0.09 -0.25 -0.18 0.42 -0.85 0.00 0.00 174.74 173.97 1o7h s ILE 637 N 2.22 1.58 -0.03 0.60 1.01 -0.43 -0.72 121.20 125.42 1o7h s ILE 637 Ca 0.32 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.28 1o7h s ILE 637 Cb -0.16 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 1o7h s ILE 637 CO 0.10 0.45 -0.19 -0.60 0.00 0.00 0.00 174.94 174.71 1o7h s ARG 638 N 0.49 2.33 0.10 2.79 3.52 0.10 -0.54 118.95 127.74 1o7h s ARG 638 Ca -0.16 -0.80 -0.25 0.00 -0.13 0.00 0.00 55.73 54.39 1o7h s ARG 638 Cb -0.17 -2.25 0.07 0.00 -1.56 0.00 0.00 34.95 31.05 1o7h s ARG 638 CO 0.06 0.60 0.64 -1.54 -0.81 0.00 0.00 175.30 174.24 1o7h s SER 639 N -0.76 -0.58 0.00 -2.12 1.04 -0.82 -0.19 113.70 110.28 1o7h s SER 639 Ca 0.11 0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.74 1o7h s SER 639 Cb -0.10 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1o7h s SER 639 CO 0.00 -0.87 -0.09 0.20 0.98 0.00 0.00 173.24 173.46 1o7h s ASN 640 N -2.39 4.43 -0.02 7.02 0.01 -0.40 0.18 114.94 123.77 1o7h s ASN 640 Ca -0.01 -0.19 0.05 0.00 -0.71 0.00 0.00 52.86 51.99 1o7h s ASN 640 Cb -0.01 -0.98 -0.01 0.00 0.41 0.00 0.00 41.25 40.66 1o7h s ASN 640 CO -0.08 0.29 -0.17 0.54 -1.51 0.00 0.00 177.10 176.17 1o7h s VAL 641 N -0.95 1.33 -0.17 1.60 0.11 0.60 -1.29 120.40 121.62 1o7h s VAL 641 Ca 0.16 -0.71 -0.03 0.00 -2.93 0.00 0.00 61.98 58.47 1o7h s VAL 641 Cb -0.11 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.62 1o7h s VAL 641 CO 0.06 0.38 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.51 1o7h s ILE 642 N -0.35 3.43 -0.15 7.04 1.01 -0.61 -1.65 121.20 129.92 1o7h s ILE 642 Ca 0.05 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1o7h s ILE 642 Cb -0.07 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.91 1o7h s ILE 642 CO -0.00 0.47 -0.17 -0.22 0.00 0.00 0.00 174.94 175.02 1o7h s LEU 643 N 0.80 1.90 -0.18 2.97 0.20 0.01 -1.11 118.68 123.28 1o7h s LEU 643 Ca -0.02 -0.55 -0.03 0.00 0.69 0.00 0.00 54.13 54.21 1o7h s LEU 643 Cb -0.15 -1.31 -0.02 0.00 -0.43 0.00 0.00 46.19 44.28 1o7h s LEU 643 CO 0.01 -0.01 -0.06 -2.28 -0.29 0.00 0.00 176.35 173.73 1o7h s HIS 644 N 1.29 2.95 -0.14 5.38 5.65 -0.27 -0.41 115.29 129.74 1o7h s HIS 644 Ca 0.02 -0.63 0.01 0.00 0.25 0.00 0.00 55.06 54.71 1o7h s HIS 644 Cb -0.13 -2.00 0.02 0.00 -1.18 0.00 0.00 32.58 29.28 1o7h s HIS 644 CO -0.10 -0.29 -0.15 0.50 -0.65 0.00 0.00 174.74 174.05 1o7h s ARG 645 N 0.85 2.32 -0.03 2.88 3.52 -0.30 -1.09 118.95 127.11 1o7h s ARG 645 Ca -0.01 -0.58 0.07 0.00 -0.13 0.00 0.00 55.73 55.08 1o7h s ARG 645 Cb -0.15 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.15 1o7h s ARG 645 CO 0.01 -0.18 -0.24 0.00 -0.81 0.00 0.00 175.30 174.08 1o7h s ALA 646 N 1.32 2.25 0.07 6.12 0.00 0.03 -1.56 121.76 130.01 1o7h s ALA 646 Ca 0.01 -1.08 -0.22 0.00 0.00 0.00 0.00 51.96 50.67 1o7h s ALA 646 Cb -0.13 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.39 1o7h s ALA 646 CO -0.08 0.52 0.52 -0.98 0.00 0.00 0.00 175.76 175.74 1o7h s ARG 647 N -0.56 1.09 -1.51 0.00 1.70 -0.66 -1.79 118.95 117.20 1o7h s ARG 647 Ca 0.08 -0.32 -0.09 0.00 -0.47 0.00 0.00 55.73 54.93 1o7h s ARG 647 Cb -0.11 0.50 0.07 0.00 -0.57 0.00 0.00 34.95 34.84 1o7h s ARG 647 CO -0.00 -0.41 0.70 0.54 -1.08 0.00 0.00 175.30 175.04 1o7h n ARG 648 N 0.19 -3.98 0.00 3.89 1.74 -1.26 -1.71 116.66 115.52 1o7h n ARG 648 Ca -0.18 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1o7h n ARG 648 Cb 0.61 -5.00 0.00 0.00 -1.02 0.00 0.00 32.46 27.05 1o7h n ARG 648 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1o7h n GLY 649 N -1.69 1.75 0.22 -0.13 0.00 -1.26 -4.28 105.19 99.80 1o7h n GLY 649 Ca -0.11 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.79 1o7h n GLY 649 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1o7h n ASN 650 N 3.37 0.60 -4.67 1.61 0.23 -1.22 -5.01 115.26 110.17 1o7h n ASN 650 Ca 0.00 -1.86 -0.39 0.00 -0.53 0.00 0.00 54.58 51.80 1o7h n ASN 650 Cb 0.00 -0.15 -0.07 0.00 -2.08 0.00 0.00 39.78 37.48 1o7h n ASN 650 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1o7h s GLN 651 N -0.57 4.19 -0.06 -3.83 0.74 -0.70 -5.01 119.66 114.43 1o7h s GLN 651 Ca 0.05 0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.77 1o7h s GLN 651 Cb 0.04 -3.55 0.03 0.00 1.10 0.00 0.00 33.01 30.64 1o7h s GLN 651 CO 0.00 -0.09 0.02 0.08 -0.55 0.00 0.00 175.29 174.76 1o7h s VAL 652 N 1.45 0.18 -0.07 1.34 1.01 -1.26 -1.66 120.40 121.39 1o7h s VAL 652 Ca 0.22 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1o7h s VAL 652 Cb -0.15 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1o7h s VAL 652 CO 0.09 0.22 -0.17 -1.81 0.00 0.00 0.00 175.10 173.43 1o7h s ASP 653 N 1.98 2.26 -0.12 3.32 1.01 -0.60 -5.02 116.67 119.50 1o7h s ASP 653 Ca 0.04 -0.39 0.02 0.00 0.71 0.00 0.00 52.55 52.94 1o7h s ASP 653 Cb -0.12 -0.94 0.01 0.00 1.01 0.00 0.00 42.92 42.87 1o7h s ASP 653 CO -0.04 0.10 -0.20 -0.69 0.21 0.00 0.00 175.17 174.55 1o7h s VAL 654 N 0.42 1.85 0.12 -1.27 1.01 -1.26 -1.15 120.40 120.12 1o7h s VAL 654 Ca -0.13 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.05 1o7h s VAL 654 Cb -0.15 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1o7h s VAL 654 CO 0.05 0.51 -0.04 -0.36 0.00 0.00 0.00 175.10 175.26 1o7h s PHE 655 N 0.79 2.85 -0.02 5.22 0.40 0.45 -4.93 117.98 122.74 1o7h s PHE 655 Ca -0.09 -0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 1o7h s PHE 655 Cb -0.16 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 41.94 1o7h s PHE 655 CO 0.00 0.47 -0.01 0.71 0.70 0.00 0.00 175.22 177.09 1o7h s TYR 656 N -1.41 0.30 0.00 0.36 1.51 -1.26 -0.81 117.35 116.05 1o7h s TYR 656 Ca 0.25 -0.02 -0.28 0.00 -1.01 0.00 0.00 57.07 56.01 1o7h s TYR 656 Cb -0.11 -0.33 0.10 0.00 -0.11 0.00 0.00 41.96 41.51 1o7h s TYR 656 CO 0.17 -0.09 0.85 0.00 -1.11 0.00 0.00 175.55 175.37 1o7h s ALA 657 N 0.65 -1.80 -0.14 3.71 0.00 -0.66 -4.49 121.76 119.04 1o7h s ALA 657 Ca -0.06 1.00 -0.04 0.00 0.00 0.00 0.00 51.96 52.86 1o7h s ALA 657 Cb -0.10 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 1o7h s ALA 657 CO -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 175.76 175.09 1o7h s ALA 658 N -2.99 3.21 -0.20 0.00 0.00 -1.26 -0.29 121.76 120.23 1o7h s ALA 658 Ca 0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1o7h s ALA 658 Cb -0.01 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 1o7h s ALA 658 CO -0.08 0.34 -0.04 1.03 0.00 0.00 0.00 175.76 177.01 1o7h s ARG 659 N -0.10 3.47 -0.47 0.00 0.52 0.47 -4.51 118.95 118.33 1o7h s ARG 659 Ca 0.04 -0.59 -0.13 0.00 -0.52 0.00 0.00 55.73 54.52 1o7h s ARG 659 Cb -0.13 -2.98 0.09 0.00 0.52 0.00 0.00 34.95 32.45 1o7h s ARG 659 CO 0.02 -0.06 0.37 -1.21 0.02 0.00 0.00 175.30 174.44 1o7h s GLU 660 N 1.14 2.84 0.21 3.54 2.02 -0.30 -1.95 118.70 126.21 1o7h s GLU 660 Ca 0.02 -1.46 0.08 0.00 0.02 0.00 0.00 54.97 53.63 1o7h s GLU 660 Cb -0.15 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.00 1o7h s GLU 660 CO -0.00 -1.06 0.04 -0.51 0.02 0.00 0.00 175.26 173.75 1o7h s ASP 661 N 2.61 4.91 -0.12 -0.19 1.01 0.30 -1.19 116.67 124.00 1o7h s ASP 661 Ca 0.04 -0.41 0.01 0.00 0.71 0.00 0.00 52.55 52.90 1o7h s ASP 661 Cb -0.25 -1.08 0.02 0.00 1.01 0.00 0.00 42.92 42.62 1o7h s ASP 661 CO 0.04 0.04 -0.14 -0.54 0.21 0.00 0.00 175.17 174.79 1o7h s LYS 662 N -3.30 2.13 0.02 8.23 1.02 0.14 -1.32 119.74 126.65 1o7h s LYS 662 Ca 0.30 -0.52 0.09 0.00 0.02 0.00 0.00 55.97 55.86 1o7h s LYS 662 Cb -0.08 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.32 1o7h s LYS 662 CO 0.20 -0.13 -0.26 -1.58 -0.92 0.00 0.00 175.35 172.67 1o7h s TRP 663 N 1.18 2.28 -0.07 3.18 0.52 0.61 0.64 118.94 127.27 1o7h s TRP 663 Ca -0.03 -0.42 -0.07 0.00 0.02 0.00 0.00 56.10 55.61 1o7h s TRP 663 Cb -0.14 -1.41 0.02 0.00 -1.15 0.00 0.00 33.47 30.79 1o7h s TRP 663 CO -0.04 0.05 0.19 0.21 0.02 0.00 0.00 176.95 177.38 1o7h s LYS 664 N -0.94 0.22 0.04 4.98 2.20 0.80 -0.38 119.74 126.66 1o7h s LYS 664 Ca 0.11 0.27 -0.31 0.00 -0.36 0.00 0.00 55.97 55.67 1o7h s LYS 664 Cb -0.10 0.11 -0.10 0.00 -1.51 0.00 0.00 37.83 36.22 1o7h s LYS 664 CO 0.01 -0.03 1.91 0.54 -0.36 0.00 0.00 175.35 177.42 1o7h n ARG 665 N 2.99 2.68 0.00 4.03 1.74 -1.26 -1.08 116.66 125.77 1o7h n ARG 665 Ca -0.13 0.98 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1o7h n ARG 665 Cb 0.59 -2.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.13 1o7h n ARG 665 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1o7h n GLY 666 N 4.40 1.87 3.69 -0.13 0.00 0.31 -4.88 105.19 110.45 1o7h n GLY 666 Ca 0.20 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1o7h n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o7h s GLU 667 N 3.73 4.38 0.00 1.61 2.02 -1.26 -1.93 118.70 127.25 1o7h s GLU 667 Ca 0.00 1.62 0.00 0.00 0.02 0.00 0.00 54.97 56.61 1o7h s GLU 667 Cb 0.00 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.70 1o7h s GLU 667 CO 0.00 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.30 1o7h n GLY 668 N 3.28 0.76 3.09 -1.39 0.00 -1.26 -4.08 105.19 105.60 1o7h n GLY 668 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1o7h n GLY 668 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7h n GLY 669 N -2.42 0.44 3.68 -0.02 0.00 -0.81 -4.97 105.19 101.08 1o7h n GLY 669 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1o7h n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o7h s VAL 670 N -2.21 4.40 0.04 1.61 1.01 -1.25 -4.54 120.40 119.46 1o7h s VAL 670 Ca 0.00 1.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.38 1o7h s VAL 670 Cb 0.00 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 1o7h s VAL 670 CO 0.00 -0.05 1.44 -0.13 0.00 0.00 0.00 175.10 176.36 1o7h s ARG 671 N 2.56 4.28 0.22 2.72 0.52 -1.26 0.11 118.95 128.10 1o7h s ARG 671 Ca 0.53 2.05 0.09 0.00 -0.52 0.00 0.00 55.73 57.88 1o7h s ARG 671 Cb -0.22 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.70 1o7h s ARG 671 CO 0.18 -0.57 -0.16 0.15 0.02 0.00 0.00 175.30 174.91 1o7h s LYS 672 N 2.17 1.40 -0.03 3.54 1.02 -0.24 -4.85 119.74 122.75 1o7h s LYS 672 Ca 0.66 -1.61 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 1o7h s LYS 672 Cb -0.34 -1.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1o7h s LYS 672 CO 0.28 0.23 1.33 -1.17 -0.92 0.00 0.00 175.35 175.10 1o7h s LEU 673 N -3.27 4.29 -0.00 3.17 2.96 0.21 -0.14 118.68 125.90 1o7h s LEU 673 Ca 0.23 1.98 0.08 0.00 -0.22 0.00 0.00 54.13 56.20 1o7h s LEU 673 Cb -0.02 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.01 1o7h s LEU 673 CO 0.09 -0.68 0.29 1.33 -1.32 0.00 0.00 176.35 176.06 1o7h n VAL 674 N 4.72 0.00 -3.65 1.68 0.24 0.21 -0.06 118.33 121.46 1o7h n VAL 674 Ca 0.12 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 62.07 1o7h n VAL 674 Cb 0.45 0.81 -0.08 0.00 -1.47 0.00 0.00 33.84 33.55 1o7h n VAL 674 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1o7h s GLN 675 N -1.96 0.68 -0.08 7.34 0.74 -0.61 -1.46 119.66 124.31 1o7h s GLN 675 Ca 0.01 1.15 0.01 0.00 0.05 0.00 0.00 55.36 56.59 1o7h s GLN 675 Cb 0.06 0.14 0.02 0.00 1.10 0.00 0.00 33.01 34.32 1o7h s GLN 675 CO 0.32 -0.15 -0.09 0.50 -0.55 0.00 0.00 175.29 175.32 1o7h s ARG 676 N 1.51 1.50 -0.09 1.67 3.52 -0.38 0.25 118.95 126.92 1o7h s ARG 676 Ca -0.09 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 1o7h s ARG 676 Cb -0.05 -1.37 0.01 0.00 -1.56 0.00 0.00 34.95 31.98 1o7h s ARG 676 CO -0.17 -0.08 -0.14 0.12 -0.81 0.00 0.00 175.30 174.22 1o7h s PHE 677 N 1.04 1.72 -0.05 5.12 5.36 -0.33 -0.43 117.98 130.39 1o7h s PHE 677 Ca -0.08 -0.72 -0.00 0.00 -0.96 0.00 0.00 56.93 55.17 1o7h s PHE 677 Cb -0.15 -1.25 0.03 0.00 -0.34 0.00 0.00 43.02 41.31 1o7h s PHE 677 CO -0.01 -0.37 -0.01 0.08 -1.46 0.00 0.00 175.22 173.45 1o7h s VAL 678 N 0.83 0.39 -0.64 3.12 1.01 -0.46 -1.15 120.40 123.51 1o7h s VAL 678 Ca -0.11 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1o7h s VAL 678 Cb -0.15 -0.49 0.14 0.00 0.00 0.00 0.00 36.38 35.87 1o7h s VAL 678 CO 0.01 0.23 0.66 -0.62 0.00 0.00 0.00 175.10 175.39 1o7h s ASP 679 N 1.47 6.32 0.10 3.32 -1.08 -1.26 -0.31 116.67 125.23 1o7h s ASP 679 Ca -0.03 -1.84 -0.31 0.00 -0.52 0.00 0.00 52.55 49.85 1o7h s ASP 679 Cb -0.13 -2.26 -0.10 0.00 -1.46 0.00 0.00 42.92 38.98 1o7h s ASP 679 CO -0.03 -0.91 1.78 -0.47 0.52 0.00 0.00 175.17 176.05 1o7h s TYR 680 N 1.80 2.20 0.41 -5.34 5.04 -0.09 -4.83 117.35 116.53 1o7h s TYR 680 Ca 0.11 0.07 0.11 0.00 -2.44 0.00 0.00 57.07 54.92 1o7h s TYR 680 Cb -0.23 -4.11 0.86 0.00 0.35 0.00 0.00 41.96 38.84 1o7h s TYR 680 CO 0.01 -4.57 1.95 -1.35 -1.34 0.00 0.00 175.55 170.26 1o7h h PRO 681 N 8.60 0.18 -4.96 4.97 0.11 -1.89 -3.42 132.00 135.59 1o7h h PRO 681 Ca -0.45 -0.04 -0.65 0.00 0.11 0.00 0.00 66.00 64.97 1o7h h PRO 681 Cb 1.21 -0.03 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 1o7h h PRO 681 CO 0.94 0.31 -0.33 -1.21 -0.21 0.00 0.00 178.00 177.50 1o7h s GLU 682 N -4.75 3.69 0.05 1.05 2.02 -1.26 -4.98 118.70 114.52 1o7h s GLU 682 Ca -0.05 -0.34 -0.27 0.00 0.02 0.00 0.00 54.97 54.33 1o7h s GLU 682 Cb 0.16 -3.76 -0.17 0.00 0.10 0.00 0.00 34.13 30.46 1o7h s GLU 682 CO 0.72 -0.43 1.50 -0.09 0.02 0.00 0.00 175.26 176.98 1o7h h ARG 683 N 8.40 -0.40 -4.81 1.61 9.65 -1.91 -3.39 114.38 123.53 1o7h h ARG 683 Ca -0.31 0.03 -0.66 0.00 -1.10 0.00 0.00 59.98 57.94 1o7h h ARG 683 Cb 1.15 0.09 -0.18 0.00 -1.39 0.00 0.00 29.97 29.65 1o7h h ARG 683 CO 0.66 -0.17 -0.46 0.42 2.80 0.00 0.00 179.97 183.22 1o7h s ILE 684 N -5.49 5.27 0.25 1.20 1.01 -1.26 -5.01 121.20 117.17 1o7h s ILE 684 Ca -0.15 -0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 1o7h s ILE 684 Cb 0.04 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 1o7h s ILE 684 CO 0.61 0.06 1.21 -0.76 0.00 0.00 0.00 174.94 176.06 1o7h s LEU 685 N 1.78 4.47 -0.26 2.97 1.43 -1.26 -4.91 118.68 122.91 1o7h s LEU 685 Ca 0.07 2.38 0.09 0.00 -1.03 0.00 0.00 54.13 55.64 1o7h s LEU 685 Cb -0.17 -3.62 0.45 0.00 0.03 0.00 0.00 46.19 42.88 1o7h s LEU 685 CO 0.11 -0.37 1.31 0.00 0.23 0.00 0.00 176.35 177.63 1o7h n GLN 686 N 1.76 2.02 -0.07 1.70 1.13 -1.26 -4.68 117.38 117.98 1o7h n GLN 686 Ca 0.02 -3.42 0.07 0.00 -1.94 0.00 0.00 57.00 51.73 1o7h n GLN 686 Cb 0.44 -1.80 0.10 0.00 0.11 0.00 0.00 30.24 29.08 1o7h n GLN 686 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1o7h n THR 687 N -1.05 1.56 0.00 5.09 -2.24 -1.26 -4.98 114.28 111.40 1o7h n THR 687 Ca 0.28 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.23 1o7h n THR 687 Cb 0.84 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1o7h n THR 687 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1o7h n HIS 688 N -1.13 0.00 -3.83 4.78 8.25 -1.26 -4.76 115.22 117.27 1o7h n HIS 688 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1o7h n HIS 688 Cb 0.55 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.67 1o7h n HIS 688 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1o7h s ASN 689 N 0.00 -0.03 -0.35 0.41 2.20 -1.26 -5.02 114.94 110.89 1o7h s ASN 689 Ca 0.00 -0.34 0.06 0.00 -0.94 0.00 0.00 52.86 51.64 1o7h s ASN 689 Cb 0.00 0.29 0.46 0.00 -2.00 0.00 0.00 41.25 40.00 1o7h s ASN 689 CO 0.00 -0.56 1.34 -0.11 -2.94 0.00 0.00 177.10 174.83 1o7h n LEU 690 N -0.68 5.25 -2.48 3.54 0.00 -1.26 -4.91 117.00 116.46 1o7h n LEU 690 Ca -0.03 -4.61 -0.21 0.00 0.00 0.00 0.00 56.01 51.17 1o7h n LEU 690 Cb 0.60 -0.46 -0.12 0.00 0.00 0.00 0.00 43.42 43.45 1o7h n LEU 690 CO 0.16 1.95 2.21 0.23 0.00 0.00 0.00 177.39 181.94 1o7h n MET 691 N -0.78 2.52 -4.11 1.96 2.81 -1.26 -4.80 117.12 113.46 1o7h n MET 691 Ca 0.46 -1.39 -0.12 0.00 -1.81 0.00 0.00 57.70 54.84 1o7h n MET 691 Cb 0.91 -2.27 -0.11 0.00 -0.71 0.00 0.00 33.22 31.05 1o7h n MET 691 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1o7h s VAL 692 N 1.50 0.61 -0.58 2.03 -7.23 -1.26 -5.10 120.40 110.37 1o7h s VAL 692 Ca 0.66 -1.49 -0.22 0.00 -1.81 0.00 0.00 61.98 59.12 1o7h s VAL 692 Cb 0.26 -1.12 0.06 0.00 0.56 0.00 0.00 36.38 36.14 1o7h s VAL 692 CO -0.02 -0.62 0.85 -0.36 -0.31 0.00 0.00 175.10 174.64 1o7h s PHE 693 N -2.47 2.83 -2.00 2.82 2.99 -1.26 -5.17 117.98 115.73 1o7h s PHE 693 Ca 0.00 -0.38 0.16 0.00 0.00 0.00 0.00 56.93 56.71 1o7h s PHE 693 Cb -0.03 -4.01 0.96 0.00 0.00 0.00 0.00 43.02 39.94 1o7h s PHE 693 CO -0.02 -1.36 1.37 1.28 -0.00 0.00 0.00 175.22 176.48