#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7p s ILE 503 N 0.00 3.84 -0.32 1.12 -1.09 -1.26 -5.02 121.20 118.48 1o7p s ILE 503 Ca 0.00 1.43 -0.06 0.00 -2.23 0.00 0.00 60.65 59.79 1o7p s ILE 503 Cb 0.00 -3.92 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1o7p s ILE 503 CO 0.00 0.17 0.09 0.21 -1.23 0.00 0.00 174.94 174.18 1o7p s ASN 504 N 0.56 5.19 0.00 3.58 3.84 -1.26 -4.98 114.94 121.87 1o7p s ASN 504 Ca 0.55 -0.93 0.24 0.00 0.21 0.00 0.00 52.86 52.93 1o7p s ASN 504 Cb -0.31 -1.87 1.11 0.00 -0.55 0.00 0.00 41.25 39.64 1o7p s ASN 504 CO 0.33 -0.26 1.78 2.30 -2.79 0.00 0.00 177.10 178.46 1o7p n ILE 505 N 4.83 0.31 0.08 -5.21 -5.35 -1.26 -0.89 119.36 111.87 1o7p n ILE 505 Ca -0.14 0.08 -0.10 0.00 -0.27 0.00 0.00 62.75 62.32 1o7p n ILE 505 Cb 0.46 -0.67 -0.04 0.00 -1.74 0.00 0.00 39.64 37.65 1o7p n ILE 505 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1o7p h GLN 506 N 0.00 0.19 0.11 6.28 4.20 -1.94 -3.34 115.11 120.60 1o7p h GLN 506 Ca 0.00 -0.23 -0.31 0.00 0.06 0.00 0.00 58.65 58.17 1o7p h GLN 506 Cb 0.32 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1o7p h GLN 506 CO 0.00 1.00 -1.62 0.93 -0.67 0.00 0.00 178.83 178.47 1o7p h GLU 507 N 0.09 0.22 -4.79 1.46 5.08 -1.82 -3.40 114.58 111.43 1o7p h GLU 507 Ca -0.05 -0.38 -0.73 0.00 -1.00 0.00 0.00 59.36 57.19 1o7p h GLU 507 Cb 1.61 0.14 -0.17 0.00 0.50 0.00 0.00 28.75 30.83 1o7p h GLU 507 CO 0.15 1.18 1.36 -0.51 -1.00 0.00 0.00 179.01 180.19 1o7p s ASP 508 N -7.03 7.06 0.59 1.42 -0.00 -0.06 -4.84 116.67 113.81 1o7p s ASP 508 Ca -0.22 -2.96 0.36 0.00 -0.00 0.00 0.00 52.55 49.73 1o7p s ASP 508 Cb 0.06 -2.41 1.85 0.00 -0.00 0.00 0.00 42.92 42.42 1o7p s ASP 508 CO 0.74 -0.76 2.18 0.11 -0.00 0.00 0.00 175.17 177.44 1o7p h LYS 509 N 7.21 0.00 -0.01 8.23 1.57 -1.79 -2.20 116.57 129.58 1o7p h LYS 509 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1o7p h LYS 509 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1o7p h LYS 509 CO 1.25 0.03 -0.17 1.28 -0.57 0.00 0.00 179.45 181.27 1o7p n LEU 510 N -3.29 0.91 -4.72 2.94 4.77 -1.26 -4.88 117.00 111.47 1o7p n LEU 510 Ca -0.02 -0.21 -0.38 0.00 -0.03 0.00 0.00 56.01 55.38 1o7p n LEU 510 Cb 0.18 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1o7p n LEU 510 CO 0.25 0.17 0.12 -0.69 -1.33 0.00 0.00 177.39 175.91 1o7p s VAL 511 N -2.41 5.22 0.59 4.08 1.01 -0.83 -5.06 120.40 123.00 1o7p s VAL 511 Ca 0.28 0.84 -0.15 0.00 0.00 0.00 0.00 61.98 62.96 1o7p s VAL 511 Cb 0.20 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1o7p s VAL 511 CO 0.48 0.34 1.03 -0.94 0.00 0.00 0.00 175.10 176.00 1o7p s SER 512 N 0.62 6.05 0.24 3.32 1.04 -1.26 -4.88 113.70 118.82 1o7p s SER 512 Ca 0.23 1.65 -0.06 0.00 0.48 0.00 0.00 55.95 58.25 1o7p s SER 512 Cb -0.15 -2.51 0.23 0.00 0.10 0.00 0.00 66.02 63.70 1o7p s SER 512 CO 0.08 -0.99 1.81 0.00 0.98 0.00 0.00 173.24 175.12 1o7p h ALA 513 N 0.29 1.11 -0.08 5.32 0.00 -1.99 -0.84 119.26 123.09 1o7p h ALA 513 Ca -0.46 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.27 1o7p h ALA 513 Cb 1.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1o7p h ALA 513 CO 0.59 0.64 0.02 1.25 0.00 0.00 0.00 179.25 181.75 1o7p h HIS 514 N 1.10 0.03 -0.63 0.00 -0.00 -2.00 -1.23 115.15 112.42 1o7p h HIS 514 Ca 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1o7p h HIS 514 Cb 0.20 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 1o7p h HIS 514 CO 0.02 0.02 0.39 -0.44 -0.00 0.00 0.00 177.93 177.91 1o7p h ASP 515 N 0.06 0.75 -0.86 3.26 3.45 -1.86 -1.39 116.42 119.83 1o7p h ASP 515 Ca 0.03 -0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.42 1o7p h ASP 515 Cb 0.02 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 38.56 1o7p h ASP 515 CO -0.04 0.57 0.45 0.00 -1.57 0.00 0.00 179.24 178.66 1o7p h ALA 516 N 1.20 1.10 -0.67 3.45 0.00 -0.95 -2.09 119.26 121.30 1o7p h ALA 516 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1o7p h ALA 516 Cb -0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1o7p h ALA 516 CO -0.04 0.63 0.38 0.93 0.00 0.00 0.00 179.25 181.15 1o7p h GLU 517 N 1.21 0.93 -0.45 0.00 5.08 -0.73 -2.90 114.58 117.71 1o7p h GLU 517 Ca 0.30 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1o7p h GLU 517 Cb 0.06 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1o7p h GLU 517 CO -0.04 0.68 -0.06 0.93 -1.00 0.00 0.00 179.01 179.52 1o7p h GLU 518 N 0.92 0.79 -0.51 2.33 4.39 -0.93 -2.89 114.58 118.69 1o7p h GLU 518 Ca 0.24 -0.24 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1o7p h GLU 518 Cb 0.01 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1o7p h GLU 518 CO -0.04 0.84 -0.10 0.97 -1.16 0.00 0.00 179.01 179.52 1o7p h ILE 519 N 0.72 1.27 -0.93 3.13 2.10 -1.29 -2.90 117.51 119.62 1o7p h ILE 519 Ca 0.13 -1.24 0.17 0.00 1.08 0.00 0.00 64.86 65.01 1o7p h ILE 519 Cb 0.53 1.03 -0.08 0.00 -1.09 0.00 0.00 36.82 37.21 1o7p h ILE 519 CO 0.03 0.43 0.59 0.25 -1.08 0.00 0.00 178.15 178.38 1o7p h LEU 520 N 0.82 0.61 0.00 2.19 5.85 -1.31 -0.38 115.31 123.09 1o7p h LEU 520 Ca 0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1o7p h LEU 520 Cb 0.66 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1o7p h LEU 520 CO 0.05 0.27 0.00 -1.14 -0.34 0.00 0.00 178.44 177.27 1o7p n ARG 521 N -4.59 0.09 -0.02 1.25 0.63 -1.09 -3.36 116.66 109.57 1o7p n ARG 521 Ca 0.19 0.17 -0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1o7p n ARG 521 Cb 0.57 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 31.93 1o7p n ARG 521 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1o7p n PHE 522 N -1.43 0.00 0.21 -0.14 3.72 -0.19 -4.67 117.46 114.96 1o7p n PHE 522 Ca 0.06 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.54 1o7p n PHE 522 Cb 0.18 -0.21 0.42 0.00 -0.94 0.00 0.00 39.48 38.93 1o7p n PHE 522 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 1o7p h PHE 523 N 0.00 0.00 0.00 1.38 -1.00 -1.45 -3.42 116.94 112.44 1o7p h PHE 523 Ca -0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.70 1o7p h PHE 523 Cb 0.85 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.41 1o7p h PHE 523 CO 0.00 0.28 0.00 0.09 -1.61 0.00 0.00 178.31 177.07 1o7p n ASN 524 N -3.46 0.00 -4.63 2.17 3.02 -1.24 -4.73 115.26 106.40 1o7p n ASN 524 Ca -0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1o7p n ASN 524 Cb 0.45 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.60 1o7p n ASN 524 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o7p s HIS 526 N 5.24 3.84 -0.34 0.00 2.46 -1.26 -4.97 115.29 120.25 1o7p s HIS 526 Ca 0.70 1.59 0.02 0.00 0.47 0.00 0.00 55.06 57.84 1o7p s HIS 526 Cb -0.24 -2.81 0.10 0.00 -0.13 0.00 0.00 32.58 29.51 1o7p s HIS 526 CO 0.29 0.40 0.09 0.34 -2.47 0.00 0.00 174.74 173.39 1o7p s ASP 527 N -0.66 4.42 0.38 9.88 -1.08 -1.26 -5.01 116.67 123.34 1o7p s ASP 527 Ca 0.38 -2.03 0.17 0.00 -0.52 0.00 0.00 52.55 50.55 1o7p s ASP 527 Cb -0.22 -1.32 1.09 0.00 -1.46 0.00 0.00 42.92 41.02 1o7p s ASP 527 CO 0.25 -0.38 1.73 0.28 0.52 0.00 0.00 175.17 177.57 1o7p h SER 528 N 7.70 0.48 1.03 -0.34 0.02 -1.97 -0.98 113.55 119.50 1o7p h SER 528 Ca -0.08 0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 1o7p h SER 528 Cb 1.01 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1o7p h SER 528 CO 0.51 0.03 -0.66 0.00 -1.14 0.00 0.00 176.83 175.57 1o7p h ALA 529 N 1.67 0.69 -0.06 3.77 0.00 -1.99 -2.29 119.26 121.06 1o7p h ALA 529 Ca 0.65 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1o7p h ALA 529 Cb 1.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1o7p h ALA 529 CO -0.39 0.83 -0.68 1.25 0.00 0.00 0.00 179.25 180.25 1o7p h LEU 530 N 0.00 0.31 -0.46 0.00 5.85 -1.59 -0.43 115.31 118.98 1o7p h LEU 530 Ca -0.01 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 1o7p h LEU 530 Cb 1.35 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1o7p h LEU 530 CO 0.09 0.90 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.46 1o7p h GLN 531 N 0.18 0.83 -0.47 1.25 -0.00 -1.23 -1.20 115.11 114.48 1o7p h GLN 531 Ca -0.02 -0.27 -0.09 0.00 -0.00 0.00 0.00 58.65 58.27 1o7p h GLN 531 Cb 1.23 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.62 1o7p h GLN 531 CO 0.11 0.89 -0.04 1.96 0.00 0.00 0.00 178.83 181.75 1o7p h GLN 532 N 0.68 0.86 -0.69 1.69 7.50 -1.27 -0.54 115.11 123.33 1o7p h GLN 532 Ca 0.13 -0.30 0.01 0.00 0.50 0.00 0.00 58.65 58.99 1o7p h GLN 532 Cb 0.53 -0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.96 1o7p h GLN 532 CO 0.03 0.93 0.46 1.49 -1.50 0.00 0.00 178.83 180.23 1o7p h GLU 533 N 0.71 0.90 -0.71 1.46 4.81 -0.91 -2.12 114.58 118.71 1o7p h GLU 533 Ca 0.13 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1o7p h GLU 533 Cb 0.57 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1o7p h GLU 533 CO 0.03 0.60 0.19 0.00 -0.73 0.00 0.00 179.01 179.10 1o7p h ALA 534 N 1.26 0.94 -0.57 2.92 0.00 -0.94 -1.39 119.26 121.48 1o7p h ALA 534 Ca 0.26 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1o7p h ALA 534 Cb -0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 1o7p h ALA 534 CO -0.06 0.65 0.35 1.15 0.00 0.00 0.00 179.25 181.34 1o7p h THR 535 N 1.07 1.08 -0.20 0.00 2.02 -0.75 -1.12 112.91 115.01 1o7p h THR 535 Ca 0.23 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1o7p h THR 535 Cb 0.35 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1o7p h THR 535 CO -0.00 0.13 0.05 0.74 0.37 0.00 0.00 175.52 176.81 1o7p h THR 536 N 0.70 1.20 -0.25 3.16 2.02 -1.01 -0.43 112.91 118.31 1o7p h THR 536 Ca 0.23 -0.63 0.06 0.00 0.77 0.00 0.00 66.41 66.83 1o7p h THR 536 Cb -0.00 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 1o7p h THR 536 CO -0.09 0.20 -0.11 -0.07 0.37 0.00 0.00 175.52 175.82 1o7p h LEU 537 N 0.14 -0.38 -0.47 2.58 4.07 -1.02 -0.55 115.31 119.67 1o7p h LEU 537 Ca 0.06 0.10 -0.15 0.00 0.08 0.00 0.00 57.88 57.97 1o7p h LEU 537 Cb 0.25 0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1o7p h LEU 537 CO -0.00 -0.15 -0.34 -0.07 -1.08 0.00 0.00 178.44 176.80 1o7p h LEU 538 N -0.08 0.94 -0.64 1.67 3.38 -1.07 -1.33 115.31 118.18 1o7p h LEU 538 Ca 0.13 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1o7p h LEU 538 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1o7p h LEU 538 CO -0.30 1.19 0.27 0.74 0.09 0.00 0.00 178.44 180.43 1o7p h THR 539 N 0.74 1.23 -0.51 0.22 2.02 -0.80 -0.98 112.91 114.83 1o7p h THR 539 Ca 0.07 -0.70 -0.11 0.00 0.77 0.00 0.00 66.41 66.44 1o7p h THR 539 Cb 0.92 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1o7p h THR 539 CO 0.09 0.28 -0.13 1.56 0.37 0.00 0.00 175.52 177.69 1o7p h GLN 540 N 0.90 0.96 -0.34 6.66 4.20 -1.03 -1.45 115.11 125.00 1o7p h GLN 540 Ca 0.22 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.58 1o7p h GLN 540 Cb 0.18 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1o7p h GLN 540 CO -0.02 1.02 0.20 1.49 -0.67 0.00 0.00 178.83 180.85 1o7p h GLU 541 N 0.85 0.40 -0.20 1.46 4.81 -1.00 -1.81 114.58 119.09 1o7p h GLU 541 Ca 0.13 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1o7p h GLU 541 Cb 0.68 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1o7p h GLU 541 CO 0.05 0.26 -0.19 0.00 -0.73 0.00 0.00 179.01 178.40 1o7p h ALA 542 N 1.15 1.32 -0.06 2.92 0.00 -1.03 -1.63 119.26 121.93 1o7p h ALA 542 Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1o7p h ALA 542 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1o7p h ALA 542 CO -0.06 0.46 -0.01 1.25 0.00 0.00 0.00 179.25 180.89 1o7p h HIS 543 N 0.31 0.12 -0.38 0.00 -0.00 -0.95 0.78 115.15 115.03 1o7p h HIS 543 Ca 0.06 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.45 1o7p h HIS 543 Cb 0.52 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 1o7p h HIS 543 CO 0.01 0.41 0.12 -0.07 -0.00 0.00 0.00 177.93 178.40 1o7p h LEU 544 N -0.22 0.11 -0.53 0.26 3.38 -1.18 -1.52 115.31 115.61 1o7p h LEU 544 Ca 0.02 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1o7p h LEU 544 Cb 0.37 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1o7p h LEU 544 CO 0.00 0.10 0.13 -0.07 0.09 0.00 0.00 178.44 178.69 1o7p h LEU 545 N 0.27 0.80 -1.49 1.67 4.07 -1.19 -1.12 115.31 118.32 1o7p h LEU 545 Ca 0.18 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 1o7p h LEU 545 Cb 0.17 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1o7p h LEU 545 CO -0.19 0.83 0.08 0.44 -1.08 0.00 0.00 178.44 178.51 1o7p h ASP 546 N 0.75 0.38 -0.24 -0.43 5.19 -0.42 -1.41 116.42 120.23 1o7p h ASP 546 Ca 0.17 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1o7p h ASP 546 Cb 0.33 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1o7p h ASP 546 CO 0.00 0.38 0.00 2.30 -3.12 0.00 0.00 179.24 178.80 1o7p n ILE 547 N -4.38 0.31 -2.57 0.35 -5.35 -0.61 -4.35 119.36 102.76 1o7p n ILE 547 Ca 0.01 -0.44 -0.15 0.00 -0.27 0.00 0.00 62.75 61.90 1o7p n ILE 547 Cb 0.16 0.45 0.01 0.00 -1.74 0.00 0.00 39.64 38.52 1o7p n ILE 547 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o7p n GLN 548 N 0.57 -2.46 -1.69 6.28 6.02 -0.53 -4.92 117.38 120.64 1o7p n GLN 548 Ca 0.16 0.66 -0.40 0.00 -0.01 0.00 0.00 57.00 57.41 1o7p n GLN 548 Cb 0.37 -4.95 -0.01 0.00 1.02 0.00 0.00 30.24 26.67 1o7p n GLN 548 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1o7p n ALA 549 N -2.46 6.96 -0.06 -1.58 0.00 -0.46 -4.75 120.51 118.16 1o7p n ALA 549 Ca -0.12 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.48 1o7p n ALA 549 Cb 0.60 -3.12 0.29 0.00 0.00 0.00 0.00 19.45 17.23 1o7p n ALA 549 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1o7p h TYR 550 N 4.97 0.67 -0.27 0.00 -1.99 -1.92 0.58 116.97 119.01 1o7p h TYR 550 Ca 0.75 -0.04 -0.06 0.00 2.00 0.00 0.00 58.73 61.39 1o7p h TYR 550 Cb 0.34 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1o7p h TYR 550 CO 1.70 0.54 -0.05 0.00 -0.00 0.00 0.00 178.16 180.35 1o7p h ARG 551 N 0.66 0.51 -0.91 4.88 3.08 -1.95 -1.82 114.38 118.84 1o7p h ARG 551 Ca 0.16 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1o7p h ARG 551 Cb 0.17 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 1o7p h ARG 551 CO -0.01 0.71 0.59 0.00 -1.07 0.00 0.00 179.97 180.19 1o7p h ALA 552 N 0.78 1.20 -0.03 0.04 0.00 -1.76 -0.88 119.26 118.62 1o7p h ALA 552 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1o7p h ALA 552 Cb 0.51 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1o7p h ALA 552 CO 0.02 0.45 -0.09 2.35 0.00 0.00 0.00 179.25 181.99 1o7p h TRP 553 N 1.15 -0.22 -0.58 0.00 7.01 -0.73 0.56 115.95 123.13 1o7p h TRP 553 Ca 0.36 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.44 1o7p h TRP 553 Cb 0.00 0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.11 1o7p h TRP 553 CO -0.01 -0.14 0.28 -0.07 -2.79 0.00 0.00 178.44 175.71 1o7p h LEU 554 N -0.14 0.38 -0.52 0.65 4.07 -0.89 0.20 115.31 119.07 1o7p h LEU 554 Ca 0.04 0.04 -0.16 0.00 0.08 0.00 0.00 57.88 57.89 1o7p h LEU 554 Cb 0.20 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1o7p h LEU 554 CO -0.11 0.25 -0.49 -0.33 -1.08 0.00 0.00 178.44 176.68 1o7p h GLU 555 N 0.52 0.65 0.00 1.13 5.08 -0.79 -3.12 114.58 118.05 1o7p h GLU 555 Ca 0.27 -0.38 -0.18 0.00 -1.00 0.00 0.00 59.36 58.07 1o7p h GLU 555 Cb 0.22 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1o7p h GLU 555 CO -0.21 0.99 -1.96 1.58 -1.00 0.00 0.00 179.01 178.42 1o7p n HIS 556 N -4.00 0.00 0.13 4.33 -0.00 0.15 -4.72 115.22 111.11 1o7p n HIS 556 Ca -0.03 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.19 1o7p n HIS 556 Cb 0.58 -0.63 -0.05 0.00 -0.12 0.00 0.00 29.99 29.77 1o7p n HIS 556 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1o7p s VAL 558 N -2.24 2.69 0.45 0.00 1.01 -1.14 -0.08 120.40 121.08 1o7p s VAL 558 Ca -0.01 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 1o7p s VAL 558 Cb 0.05 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 34.17 1o7p s VAL 558 CO 0.32 0.49 1.02 -0.83 0.00 0.00 0.00 175.10 176.10 1o7p s GLY 559 N 1.23 2.53 0.54 4.51 0.00 0.17 -4.77 107.32 111.53 1o7p s GLY 559 Ca 0.03 0.57 0.20 0.00 0.00 0.00 0.00 44.72 45.52 1o7p s GLY 559 CO -0.06 0.90 2.13 1.48 0.00 0.00 0.00 173.10 177.55 1o7p h SER 560 N 1.86 0.00 -0.48 1.64 4.64 -1.95 -1.67 113.55 117.59 1o7p h SER 560 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1o7p h SER 560 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1o7p h SER 560 CO 0.60 0.00 0.01 -1.84 -0.87 0.00 0.00 176.83 174.73 1o7p n GLU 561 N -4.37 4.15 -1.78 4.77 0.00 -1.26 -4.43 120.64 117.72 1o7p n GLU 561 Ca -0.00 -2.57 -0.38 0.00 0.00 0.00 0.00 57.16 54.20 1o7p n GLU 561 Cb 0.21 -2.13 0.04 0.00 0.00 0.00 0.00 31.44 29.56 1o7p n GLU 561 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1o7p s VAL 562 N -2.45 2.08 -0.21 3.84 0.11 -0.63 -4.89 120.40 118.26 1o7p s VAL 562 Ca 0.45 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.57 1o7p s VAL 562 Cb 0.34 -3.03 0.04 0.00 -1.53 0.00 0.00 36.38 32.20 1o7p s VAL 562 CO 0.13 -0.00 -0.13 -1.58 -3.33 0.00 0.00 175.10 170.19 1o7p s GLN 563 N -2.91 2.32 -0.36 1.54 0.74 -0.75 -4.07 119.66 116.18 1o7p s GLN 563 Ca 0.71 -0.96 -0.03 0.00 0.05 0.00 0.00 55.36 55.13 1o7p s GLN 563 Cb -0.40 -2.56 0.08 0.00 1.10 0.00 0.00 33.01 31.22 1o7p s GLN 563 CO 0.48 -0.40 0.12 -0.47 -0.55 0.00 0.00 175.29 174.46 1o7p s TYR 564 N 1.30 3.41 -0.06 1.67 5.04 -0.02 -1.13 117.35 127.56 1o7p s TYR 564 Ca -0.01 -2.02 0.02 0.00 -2.44 0.00 0.00 57.07 52.61 1o7p s TYR 564 Cb -0.16 -2.67 0.02 0.00 0.35 0.00 0.00 41.96 39.50 1o7p s TYR 564 CO -0.09 -0.87 -0.09 -1.14 -1.34 0.00 0.00 175.55 172.02 1o7p s GLN 565 N 1.24 1.39 -0.13 4.97 0.74 0.20 -0.43 119.66 127.64 1o7p s GLN 565 Ca 0.02 -0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.13 1o7p s GLN 565 Cb -0.21 -1.23 0.02 0.00 1.10 0.00 0.00 33.01 32.69 1o7p s GLN 565 CO -0.02 -0.04 -0.10 0.08 -0.55 0.00 0.00 175.29 174.67 1o7p s VAL 566 N 0.87 1.21 0.24 1.34 1.01 -0.59 -1.20 120.40 123.28 1o7p s VAL 566 Ca -0.11 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.54 1o7p s VAL 566 Cb -0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1o7p s VAL 566 CO 0.01 0.39 0.10 0.27 0.00 0.00 0.00 175.10 175.87 1o7p s ILE 567 N 1.64 4.01 -0.22 2.22 -4.36 -0.03 -0.36 121.20 124.10 1o7p s ILE 567 Ca 0.05 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 58.88 1o7p s ILE 567 Cb -0.13 -3.14 0.05 0.00 1.25 0.00 0.00 42.46 40.50 1o7p s ILE 567 CO -0.09 -0.32 -0.08 -0.55 0.24 0.00 0.00 174.94 174.14 1o7p s SER 568 N -3.64 3.69 -0.09 4.36 0.15 -0.39 -1.24 113.70 116.53 1o7p s SER 568 Ca 0.32 -1.06 -0.20 0.00 0.70 0.00 0.00 55.95 55.70 1o7p s SER 568 Cb -0.08 -1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.97 1o7p s SER 568 CO 0.22 -0.19 0.56 -0.60 1.20 0.00 0.00 173.24 174.43 1o7p s ARG 569 N 1.38 4.36 0.43 5.44 3.52 -1.26 -0.64 118.95 132.18 1o7p s ARG 569 Ca -0.04 0.62 -0.26 0.00 -0.13 0.00 0.00 55.73 55.92 1o7p s ARG 569 Cb -0.18 -3.42 -0.08 0.00 -1.56 0.00 0.00 34.95 29.70 1o7p s ARG 569 CO -0.07 0.16 1.37 -2.00 -0.81 0.00 0.00 175.30 173.95 1o7p s GLU 570 N 0.55 3.82 -0.17 5.12 2.12 0.12 -4.94 118.70 125.34 1o7p s GLU 570 Ca 0.30 2.30 -0.29 0.00 0.36 0.00 0.00 54.97 57.64 1o7p s GLU 570 Cb -0.16 -2.71 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 1o7p s GLU 570 CO 0.14 -0.67 1.21 -0.51 -0.54 0.00 0.00 175.26 174.89 1o7p s LEU 571 N -2.58 4.18 0.20 2.70 2.01 -1.26 -4.99 118.68 118.94 1o7p s LEU 571 Ca 0.59 1.64 0.05 0.00 0.01 0.00 0.00 54.13 56.42 1o7p s LEU 571 Cb -0.41 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.20 1o7p s LEU 571 CO 0.53 -0.72 -0.07 -0.13 1.01 0.00 0.00 176.35 176.97 1o7p s ARG 572 N 3.27 1.27 0.34 1.70 1.81 -1.26 -5.11 118.95 120.97 1o7p s ARG 572 Ca 0.53 -1.60 -0.29 0.00 -1.72 0.00 0.00 55.73 52.65 1o7p s ARG 572 Cb -0.21 -0.80 -0.11 0.00 -0.45 0.00 0.00 34.95 33.39 1o7p s ARG 572 CO 0.14 0.04 1.37 0.00 -0.68 0.00 0.00 175.30 176.17 1o7p s ALA 573 N -3.24 3.53 0.31 2.13 0.00 -1.26 -4.88 121.76 118.35 1o7p s ALA 573 Ca 0.23 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.63 1o7p s ALA 573 Cb 0.03 -3.52 0.81 0.00 0.00 0.00 0.00 23.12 20.44 1o7p s ALA 573 CO 0.06 -0.78 1.75 0.00 0.00 0.00 0.00 175.76 176.80 1o7p h ALA 574 N 3.31 1.73 -0.48 0.00 0.00 -2.04 -0.96 119.26 120.83 1o7p h ALA 574 Ca -0.49 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1o7p h ALA 574 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1o7p h ALA 574 CO 0.65 -0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.62 1o7p n SER 575 N -4.82 3.80 -4.73 0.00 3.41 -1.26 -4.97 113.62 105.04 1o7p n SER 575 Ca 0.25 -2.38 -0.41 0.00 -0.26 0.00 0.00 58.87 56.07 1o7p n SER 575 Cb 0.66 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1o7p n SER 575 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1o7p s GLU 576 N -1.84 4.43 0.00 4.33 2.56 -0.37 -4.88 118.70 122.93 1o7p s GLU 576 Ca 0.39 1.97 0.00 0.00 0.00 0.00 0.00 54.97 57.32 1o7p s GLU 576 Cb 0.25 -3.23 0.00 0.00 2.00 0.00 0.00 34.13 33.16 1o7p s GLU 576 CO 0.18 -0.20 0.00 2.89 -0.56 0.00 0.00 175.26 177.56 1o7p n ARG 577 N 2.78 0.00 -0.13 4.30 0.00 -1.26 -4.95 116.66 117.40 1o7p n ARG 577 Ca 0.06 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.68 1o7p n ARG 577 Cb 0.44 -0.07 -0.11 0.00 -0.00 0.00 0.00 32.46 32.72 1o7p n ARG 577 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1o7p n ARG 578 N 0.00 0.61 -2.17 2.89 1.74 -1.26 -4.93 116.66 113.53 1o7p n ARG 578 Ca 0.00 0.20 -0.43 0.00 -0.77 0.00 0.00 57.85 56.85 1o7p n ARG 578 Cb 0.05 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.98 1o7p n ARG 578 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1o7p s TYR 579 N -2.50 2.31 0.00 -1.55 5.04 -1.26 -4.89 117.35 114.50 1o7p s TYR 579 Ca -0.36 0.53 0.00 0.00 -2.44 0.00 0.00 57.07 54.80 1o7p s TYR 579 Cb 0.11 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.65 1o7p s TYR 579 CO 0.53 -2.96 0.94 1.63 -1.34 0.00 0.00 175.55 174.35 1o7p n LYS 580 N 7.00 2.57 -1.40 4.97 5.02 -1.26 -5.07 118.16 129.99 1o7p n LYS 580 Ca 0.16 -1.38 -0.30 0.00 -2.02 0.00 0.00 58.31 54.77 1o7p n LYS 580 Cb 0.44 -0.97 0.10 0.00 -0.02 0.00 0.00 35.03 34.58 1o7p n LYS 580 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o7p s LEU 581 N -0.88 2.61 -0.35 -0.35 1.02 -1.26 -4.82 118.68 114.65 1o7p s LEU 581 Ca 0.00 1.48 -0.33 0.00 0.02 0.00 0.00 54.13 55.30 1o7p s LEU 581 Cb 0.00 -4.07 -0.14 0.00 0.02 0.00 0.00 46.19 42.00 1o7p s LEU 581 CO 0.00 -2.14 1.25 0.59 0.02 0.00 0.00 176.35 176.07 1o7p n ASN 582 N -3.56 0.76 0.12 2.29 5.03 -1.26 -4.84 115.26 113.80 1o7p n ASN 582 Ca 0.07 0.73 -0.02 0.00 0.87 0.00 0.00 54.58 56.24 1o7p n ASN 582 Cb 0.55 -0.63 0.09 0.00 -1.02 0.00 0.00 39.78 38.78 1o7p n ASN 582 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1o7p h GLU 583 N 4.39 0.00 -4.30 3.52 5.08 -1.97 -3.47 114.58 117.83 1o7p h GLU 583 Ca -0.24 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.82 1o7p h GLU 583 Cb 0.98 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.13 1o7p h GLU 583 CO 0.72 0.69 -0.28 0.00 -1.00 0.00 0.00 179.01 179.13 1o7p s ALA 584 N -3.26 0.97 0.31 3.43 0.00 -1.26 -0.70 121.76 121.25 1o7p s ALA 584 Ca 0.00 -1.61 0.11 0.00 0.00 0.00 0.00 51.96 50.46 1o7p s ALA 584 Cb 0.11 1.24 -0.06 0.00 0.00 0.00 0.00 23.12 24.41 1o7p s ALA 584 CO 0.77 -0.75 -0.15 0.00 0.00 0.00 0.00 175.76 175.62 1o7p s MET 585 N -3.28 1.73 -0.49 0.00 0.23 0.19 -4.94 119.30 112.74 1o7p s MET 585 Ca 0.33 -1.84 -0.17 0.00 -1.03 0.00 0.00 55.69 52.98 1o7p s MET 585 Cb 0.01 -1.73 0.07 0.00 -1.53 0.00 0.00 34.83 31.65 1o7p s MET 585 CO 0.21 0.25 0.47 -0.80 -2.03 0.00 0.00 175.02 173.11 1o7p s ASN 586 N -3.55 6.17 0.18 -1.18 0.01 -1.26 -1.26 114.94 114.05 1o7p s ASN 586 Ca 0.31 -1.22 -0.09 0.00 -0.71 0.00 0.00 52.86 51.15 1o7p s ASN 586 Cb -0.02 -2.22 0.07 0.00 0.41 0.00 0.00 41.25 39.49 1o7p s ASN 586 CO 0.16 -0.73 1.62 0.58 -1.51 0.00 0.00 177.10 177.22 1o7p h VAL 587 N 5.79 1.27 -3.93 1.60 2.07 -1.03 -3.43 116.25 118.59 1o7p h VAL 587 Ca -0.28 -1.23 -0.28 0.00 0.82 0.00 0.00 66.70 65.73 1o7p h VAL 587 Cb 1.11 0.90 -0.24 0.00 -1.52 0.00 0.00 31.29 31.53 1o7p h VAL 587 CO 0.91 0.44 -0.74 -0.31 0.02 0.00 0.00 177.57 177.89 1o7p s TYR 588 N -4.91 0.52 -0.44 1.57 1.51 -0.85 -4.94 117.35 109.81 1o7p s TYR 588 Ca -0.11 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1o7p s TYR 588 Cb 0.13 -0.32 0.27 0.00 -0.11 0.00 0.00 41.96 41.94 1o7p s TYR 588 CO 0.86 -0.06 1.06 -1.71 -1.11 0.00 0.00 175.55 174.59 1o7p n ASN 589 N 2.15 -2.33 -4.87 2.29 5.15 -1.07 -1.54 115.26 115.04 1o7p n ASN 589 Ca -0.18 -3.02 -0.37 0.00 -0.60 0.00 0.00 54.58 50.41 1o7p n ASN 589 Cb 0.56 1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 41.36 1o7p n ASN 589 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1o7p s GLU 590 N 0.43 3.46 0.71 1.20 0.41 0.43 -4.87 118.70 120.47 1o7p s GLU 590 Ca 0.27 -0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.70 1o7p s GLU 590 Cb 0.25 -3.20 0.12 0.00 -1.78 0.00 0.00 34.13 29.53 1o7p s GLU 590 CO -0.16 0.76 0.98 0.54 -0.49 0.00 0.00 175.26 176.88 1o7p s ASN 591 N -0.98 4.41 0.25 -0.19 2.20 -1.26 -0.84 114.94 118.53 1o7p s ASN 591 Ca 0.15 -0.41 -0.04 0.00 -0.94 0.00 0.00 52.86 51.62 1o7p s ASN 591 Cb -0.12 0.02 0.34 0.00 -2.00 0.00 0.00 41.25 39.49 1o7p s ASN 591 CO 0.04 -1.82 1.89 0.15 -2.94 0.00 0.00 177.10 174.42 1o7p h PHE 592 N -0.47 1.17 -0.59 1.54 3.04 -1.78 -0.65 116.94 119.21 1o7p h PHE 592 Ca -0.36 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.52 1o7p h PHE 592 Cb 1.27 -0.39 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 1o7p h PHE 592 CO -0.14 0.65 -0.03 0.37 -2.02 0.00 0.00 178.31 177.13 1o7p h GLN 593 N 1.18 1.07 -0.51 1.11 -0.00 -1.94 -0.22 115.11 115.79 1o7p h GLN 593 Ca 0.40 -0.36 -0.08 0.00 -0.00 0.00 0.00 58.65 58.61 1o7p h GLN 593 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.44 1o7p h GLN 593 CO -0.14 1.06 -0.02 1.96 0.00 0.00 0.00 178.83 181.69 1o7p h GLN 594 N 0.96 0.87 -0.74 1.69 4.20 -1.78 -1.70 115.11 118.62 1o7p h GLN 594 Ca 0.16 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 1o7p h GLN 594 Cb 0.60 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1o7p h GLN 594 CO 0.04 0.88 0.31 -0.07 -0.67 0.00 0.00 178.83 179.32 1o7p h LEU 595 N 0.81 1.01 -0.74 1.46 3.38 -0.66 -2.45 115.31 118.11 1o7p h LEU 595 Ca 0.15 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1o7p h LEU 595 Cb 0.51 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1o7p h LEU 595 CO 0.03 0.90 0.49 0.50 0.09 0.00 0.00 178.44 180.44 1o7p h LYS 596 N 1.06 0.95 -0.61 1.13 1.63 -0.74 0.70 116.57 120.69 1o7p h LYS 596 Ca 0.25 -0.06 0.06 0.00 -0.85 0.00 0.00 60.65 60.06 1o7p h LYS 596 Cb 0.19 -0.21 -0.06 0.00 -0.60 0.00 0.00 32.23 31.55 1o7p h LYS 596 CO -0.02 0.63 0.31 0.28 -3.45 0.00 0.00 179.45 177.19 1o7p h VAL 597 N 0.98 0.91 -0.34 2.00 2.07 -1.10 0.24 116.25 121.02 1o7p h VAL 597 Ca 0.28 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 1o7p h VAL 597 Cb -0.08 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1o7p h VAL 597 CO -0.07 0.10 -0.17 0.03 0.02 0.00 0.00 177.57 177.48 1o7p h ARG 598 N 0.56 0.61 -0.34 1.57 3.08 -0.81 -0.61 114.38 118.46 1o7p h ARG 598 Ca 0.28 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1o7p h ARG 598 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1o7p h ARG 598 CO -0.21 0.76 -0.17 0.28 -1.07 0.00 0.00 179.97 179.56 1o7p h VAL 599 N 0.55 1.29 -0.68 2.04 2.07 -0.13 -1.26 116.25 120.13 1o7p h VAL 599 Ca 0.09 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.35 1o7p h VAL 599 Cb 0.60 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1o7p h VAL 599 CO 0.04 0.42 0.44 -0.33 0.02 0.00 0.00 177.57 178.16 1o7p h GLU 600 N 0.48 0.85 -0.84 1.57 4.39 -0.15 -1.62 114.58 119.26 1o7p h GLU 600 Ca 0.07 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.81 1o7p h GLU 600 Cb 0.70 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 29.09 1o7p h GLU 600 CO 0.05 0.56 0.50 1.25 -1.16 0.00 0.00 179.01 180.21 1o7p h HIS 601 N 0.87 0.91 -0.56 4.33 2.76 -0.95 -1.21 115.15 121.30 1o7p h HIS 601 Ca 0.26 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.40 1o7p h HIS 601 Cb -0.03 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.62 1o7p h HIS 601 CO -0.04 0.40 0.08 1.96 -1.30 0.00 0.00 177.93 179.03 1o7p h GLN 602 N 0.85 0.91 -0.00 5.26 1.08 -0.34 -3.21 115.11 119.66 1o7p h GLN 602 Ca 0.39 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1o7p h GLN 602 Cb 0.31 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1o7p h GLN 602 CO -0.22 0.85 -0.36 1.28 -0.95 0.00 0.00 178.83 179.42 1o7p n LEU 603 N -4.23 0.65 -4.74 1.46 7.99 -0.69 -4.91 117.00 112.52 1o7p n LEU 603 Ca 0.04 -0.06 -0.42 0.00 -0.01 0.00 0.00 56.01 55.56 1o7p n LEU 603 Cb 0.27 -0.22 -0.02 0.00 -0.11 0.00 0.00 43.42 43.34 1o7p n LEU 603 CO 0.41 0.14 1.15 -0.62 -1.51 0.00 0.00 177.39 176.96 1o7p s ASP 604 N -2.79 6.61 0.00 -1.43 3.68 -0.50 -4.88 116.67 117.34 1o7p s ASP 604 Ca 0.17 2.69 0.14 0.00 2.13 0.00 0.00 52.55 57.68 1o7p s ASP 604 Cb 0.18 -2.62 0.63 0.00 -1.45 0.00 0.00 42.92 39.66 1o7p s ASP 604 CO 0.61 -0.75 1.44 -2.65 0.13 0.00 0.00 175.17 173.95 1o7p n PRO 605 N 2.66 0.04 -0.52 4.34 -0.02 -1.26 -1.80 135.00 138.45 1o7p n PRO 605 Ca 0.08 0.23 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1o7p n PRO 605 Cb 0.40 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.70 1o7p n PRO 605 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1o7p n GLN 606 N -1.46 3.44 -2.62 -0.52 6.02 -1.26 -4.76 117.38 116.22 1o7p n GLN 606 Ca 0.04 -2.76 -0.41 0.00 -0.01 0.00 0.00 57.00 53.86 1o7p n GLN 606 Cb 0.15 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.61 1o7p n GLN 606 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1o7p s ASN 607 N -1.02 6.39 0.49 1.08 3.84 -0.75 -4.82 114.94 120.15 1o7p s ASN 607 Ca 0.47 -1.19 0.22 0.00 0.21 0.00 0.00 52.86 52.57 1o7p s ASN 607 Cb 0.30 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.70 1o7p s ASN 607 CO 0.24 -1.55 2.02 -0.50 -2.79 0.00 0.00 177.10 174.52 1o7p h TRP 608 N 9.74 0.00 0.00 0.43 4.06 -1.88 -2.36 115.95 125.94 1o7p h TRP 608 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1o7p h TRP 608 Cb 1.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 1o7p h TRP 608 CO 1.20 0.16 0.00 0.41 -3.56 0.00 0.00 178.44 176.65 1o7p n GLY 609 N -0.76 -1.24 0.76 1.49 0.00 -1.26 -2.47 105.19 101.72 1o7p n GLY 609 Ca -0.02 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1o7p n GLY 609 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o7p n ASN 610 N -1.95 2.22 -3.81 1.61 4.13 -0.89 -4.79 115.26 111.78 1o7p n ASN 610 Ca 0.03 -1.95 -0.23 0.00 1.68 0.00 0.00 54.58 54.11 1o7p n ASN 610 Cb 0.23 -0.25 -0.17 0.00 -1.54 0.00 0.00 39.78 38.05 1o7p n ASN 610 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1o7p s SER 611 N -1.11 1.62 0.93 6.41 0.15 -1.03 -3.37 113.70 117.29 1o7p s SER 611 Ca 0.29 -0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.70 1o7p s SER 611 Cb 0.15 -0.51 0.15 0.00 -1.71 0.00 0.00 66.02 64.10 1o7p s SER 611 CO 0.21 -0.16 1.09 -2.16 1.20 0.00 0.00 173.24 173.42 1o7p s PRO 612 N 1.79 1.00 0.30 5.44 0.04 -1.26 -5.00 135.00 137.31 1o7p s PRO 612 Ca 0.03 0.83 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 1o7p s PRO 612 Cb -0.13 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1o7p s PRO 612 CO -0.05 -2.42 1.55 0.21 0.04 0.00 0.00 177.00 176.33 1o7p s LYS 613 N -4.89 4.14 0.78 4.56 2.20 -1.22 -4.86 119.74 120.45 1o7p s LYS 613 Ca 0.64 2.54 -0.11 0.00 -0.36 0.00 0.00 55.97 58.68 1o7p s LYS 613 Cb -0.19 -3.03 0.06 0.00 -1.51 0.00 0.00 37.83 33.16 1o7p s LYS 613 CO 0.58 -0.58 1.08 -0.51 -0.36 0.00 0.00 175.35 175.56 1o7p s LEU 614 N -0.77 2.76 -0.12 5.43 1.02 -1.26 -4.87 118.68 120.87 1o7p s LEU 614 Ca 0.61 1.49 0.00 0.00 0.02 0.00 0.00 54.13 56.25 1o7p s LEU 614 Cb -0.47 -4.16 0.02 0.00 0.02 0.00 0.00 46.19 41.60 1o7p s LEU 614 CO 0.50 -1.91 -0.10 -0.13 0.02 0.00 0.00 176.35 174.72 1o7p s ARG 615 N -5.06 1.82 -0.05 1.70 1.81 -0.65 -5.02 118.95 113.51 1o7p s ARG 615 Ca 0.60 -0.38 0.03 0.00 -1.72 0.00 0.00 55.73 54.26 1o7p s ARG 615 Cb -0.15 -1.76 -0.03 0.00 -0.45 0.00 0.00 34.95 32.57 1o7p s ARG 615 CO 0.55 -0.22 -0.12 -0.06 -0.68 0.00 0.00 175.30 174.77 1o7p s PHE 616 N 1.52 2.77 -0.05 -0.53 0.40 -1.26 -1.15 117.98 119.68 1o7p s PHE 616 Ca 0.03 -0.10 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1o7p s PHE 616 Cb -0.13 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.78 1o7p s PHE 616 CO -0.08 0.24 0.04 0.99 0.70 0.00 0.00 175.22 177.11 1o7p s THR 617 N -0.77 0.05 -0.03 0.64 2.01 -0.17 -4.78 115.64 112.60 1o7p s THR 617 Ca 0.12 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.45 1o7p s THR 617 Cb -0.11 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 1o7p s THR 617 CO 0.01 0.20 -0.03 -0.13 -0.69 0.00 0.00 174.62 173.98 1o7p s ARG 618 N 2.10 2.77 -0.19 4.92 0.52 -1.26 -1.04 118.95 126.77 1o7p s ARG 618 Ca 0.05 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1o7p s ARG 618 Cb -0.12 -2.64 0.05 0.00 0.52 0.00 0.00 34.95 32.75 1o7p s ARG 618 CO -0.04 0.64 -0.06 -0.06 0.02 0.00 0.00 175.30 175.81 1o7p s PHE 619 N -0.97 2.01 -0.18 -0.53 0.08 0.19 -4.98 117.98 113.59 1o7p s PHE 619 Ca 0.16 -1.37 -0.05 0.00 0.12 0.00 0.00 56.93 55.79 1o7p s PHE 619 Cb -0.11 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1o7p s PHE 619 CO 0.06 -0.69 0.00 0.42 -0.10 0.00 0.00 175.22 174.92 1o7p s ILE 620 N 1.53 4.12 0.30 0.64 -1.09 -1.26 -1.17 121.20 124.27 1o7p s ILE 620 Ca -0.02 -0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.19 1o7p s ILE 620 Cb -0.17 -2.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 1o7p s ILE 620 CO -0.07 0.46 0.23 0.42 -1.23 0.00 0.00 174.94 174.74 1o7p s THR 621 N 0.64 0.05 -1.49 2.92 -4.23 -0.28 -4.94 115.64 108.31 1o7p s THR 621 Ca -0.00 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 1o7p s THR 621 Cb -0.14 -2.49 0.07 0.00 1.34 0.00 0.00 72.50 71.28 1o7p s THR 621 CO 0.02 0.00 0.99 0.59 -0.54 0.00 0.00 174.62 175.68 1o7p n ASN 622 N -1.21 -4.69 -4.72 3.99 4.13 -1.26 -1.28 115.26 110.21 1o7p n ASN 622 Ca 0.05 -0.75 -0.42 0.00 1.68 0.00 0.00 54.58 55.14 1o7p n ASN 622 Cb 0.63 -4.06 -0.03 0.00 -1.54 0.00 0.00 39.78 34.79 1o7p n ASN 622 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1o7p s VAL 623 N -3.34 3.35 0.04 2.41 1.01 -1.26 -4.28 120.40 118.33 1o7p s VAL 623 Ca 0.59 0.98 0.04 0.00 0.00 0.00 0.00 61.98 63.60 1o7p s VAL 623 Cb -0.29 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1o7p s VAL 623 CO 0.82 0.08 -0.13 -1.10 0.00 0.00 0.00 175.10 174.77 1o7p s GLN 624 N 0.98 0.83 -0.04 2.72 -0.21 0.07 -4.99 119.66 119.02 1o7p s GLN 624 Ca 0.63 -0.73 -0.03 0.00 0.02 0.00 0.00 55.36 55.25 1o7p s GLN 624 Cb -0.36 -0.80 0.01 0.00 1.00 0.00 0.00 33.01 32.86 1o7p s GLN 624 CO 0.31 0.19 0.10 0.00 -2.12 0.00 0.00 175.29 173.77 1o7p s ALA 625 N -0.90 -0.24 -0.17 6.09 0.00 -1.26 -0.98 121.76 124.30 1o7p s ALA 625 Ca -0.00 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 1o7p s ALA 625 Cb -0.08 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.92 1o7p s ALA 625 CO 0.01 -0.05 0.46 0.00 0.00 0.00 0.00 175.76 176.18 1o7p s ALA 626 N 0.08 -1.14 0.46 0.00 0.00 0.16 -4.71 121.76 116.62 1o7p s ALA 626 Ca -0.00 1.36 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 1o7p s ALA 626 Cb -0.01 -0.79 -0.07 0.00 0.00 0.00 0.00 23.12 22.24 1o7p s ALA 626 CO 0.00 -0.23 1.21 -1.64 0.00 0.00 0.00 175.76 175.10 1o7p s MET 627 N 0.46 3.70 0.51 0.00 -1.94 -1.26 -0.14 119.30 120.62 1o7p s MET 627 Ca -0.02 1.88 -0.21 0.00 -1.71 0.00 0.00 55.69 55.63 1o7p s MET 627 Cb -0.04 -2.43 -0.06 0.00 2.01 0.00 0.00 34.83 34.31 1o7p s MET 627 CO -0.02 -0.63 1.18 0.34 -0.01 0.00 0.00 175.02 175.87 1o7p s ASP 628 N -1.23 5.85 0.27 3.03 2.15 0.39 -4.83 116.67 122.30 1o7p s ASP 628 Ca 0.64 2.32 0.14 0.00 0.43 0.00 0.00 52.55 56.07 1o7p s ASP 628 Cb -0.31 -2.60 0.23 0.00 -0.30 0.00 0.00 42.92 39.94 1o7p s ASP 628 CO 0.38 -1.14 1.52 0.58 -0.17 0.00 0.00 175.17 176.34 1o7p h VAL 629 N 1.52 1.12 0.00 1.11 2.07 -1.95 -3.38 116.25 116.75 1o7p h VAL 629 Ca -0.50 -2.25 -0.28 0.00 0.82 0.00 0.00 66.70 64.49 1o7p h VAL 629 Cb 1.26 2.33 -0.05 0.00 -1.52 0.00 0.00 31.29 33.31 1o7p h VAL 629 CO 0.58 0.57 -2.06 0.59 0.02 0.00 0.00 177.57 177.27 1o7p n ASN 630 N -3.42 2.30 -4.32 0.57 3.02 -1.26 -4.83 115.26 107.32 1o7p n ASN 630 Ca 0.00 -0.08 -0.40 0.00 -0.03 0.00 0.00 54.58 54.08 1o7p n ASN 630 Cb 0.69 -0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 39.69 1o7p n ASN 630 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1o7p s ASP 631 N -5.63 5.61 0.00 6.41 -1.08 -1.26 -4.95 116.67 115.77 1o7p s ASP 631 Ca -0.22 -1.16 0.28 0.00 -0.52 0.00 0.00 52.55 50.93 1o7p s ASP 631 Cb 0.06 -1.98 1.23 0.00 -1.46 0.00 0.00 42.92 40.77 1o7p s ASP 631 CO 0.47 -0.41 1.90 0.29 0.52 0.00 0.00 175.17 177.94 1o7p n LYS 632 N 4.93 0.08 0.00 4.34 5.02 -1.26 -1.83 118.16 129.44 1o7p n LYS 632 Ca -0.11 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1o7p n LYS 632 Cb 0.45 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.13 1o7p n LYS 632 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1o7p n GLU 633 N -1.46 1.03 -3.68 1.97 1.02 -1.26 -4.89 120.64 113.38 1o7p n GLU 633 Ca 0.08 -0.76 -0.37 0.00 -0.02 0.00 0.00 57.16 56.09 1o7p n GLU 633 Cb 0.30 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.13 1o7p n GLU 633 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1o7p s LEU 634 N -2.49 3.91 -0.22 -4.62 1.43 -0.76 -4.07 118.68 111.85 1o7p s LEU 634 Ca 0.21 -0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.23 1o7p s LEU 634 Cb 0.19 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1o7p s LEU 634 CO 0.55 0.00 0.06 -0.22 0.23 0.00 0.00 176.35 176.98 1o7p s LEU 635 N 1.42 3.57 -0.16 1.79 2.96 -0.02 -0.46 118.68 127.77 1o7p s LEU 635 Ca 0.07 -0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 53.66 1o7p s LEU 635 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1o7p s LEU 635 CO 0.07 0.05 0.67 -1.00 -1.32 0.00 0.00 176.35 174.82 1o7p s HIS 636 N 1.10 3.43 -0.06 5.38 3.76 0.80 -0.92 115.29 128.77 1o7p s HIS 636 Ca 0.04 1.05 0.02 0.00 -0.15 0.00 0.00 55.06 56.02 1o7p s HIS 636 Cb -0.14 -2.82 0.01 0.00 1.11 0.00 0.00 32.58 30.74 1o7p s HIS 636 CO 0.03 -0.11 -0.13 0.42 -0.85 0.00 0.00 174.74 174.10 1o7p s ILE 637 N 1.66 1.19 -0.04 0.60 1.01 -0.66 -0.66 121.20 124.29 1o7p s ILE 637 Ca 0.32 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.51 1o7p s ILE 637 Cb -0.16 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 1o7p s ILE 637 CO 0.12 0.37 -0.22 -0.60 0.00 0.00 0.00 174.94 174.61 1o7p s ARG 638 N 0.58 2.35 0.09 2.79 3.52 -0.15 -0.36 118.95 127.77 1o7p s ARG 638 Ca -0.14 -0.85 -0.22 0.00 -0.13 0.00 0.00 55.73 54.39 1o7p s ARG 638 Cb -0.15 -2.18 0.06 0.00 -1.56 0.00 0.00 34.95 31.11 1o7p s ARG 638 CO 0.04 0.53 0.55 -1.54 -0.81 0.00 0.00 175.30 174.07 1o7p s SER 639 N -0.53 -0.48 0.02 -2.12 1.04 -0.88 -0.75 113.70 110.00 1o7p s SER 639 Ca 0.07 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.62 1o7p s SER 639 Cb -0.11 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 1o7p s SER 639 CO 0.00 -0.83 -0.08 0.20 0.98 0.00 0.00 173.24 173.52 1o7p s ASN 640 N -2.34 4.55 -0.02 7.02 0.01 -0.41 0.24 114.94 124.00 1o7p s ASN 640 Ca -0.02 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 51.95 1o7p s ASN 640 Cb -0.00 -1.02 0.01 0.00 0.41 0.00 0.00 41.25 40.64 1o7p s ASN 640 CO -0.07 0.26 -0.07 0.54 -1.51 0.00 0.00 177.10 176.25 1o7p s VAL 641 N -1.04 0.61 -0.17 1.60 0.11 0.46 -1.12 120.40 120.85 1o7p s VAL 641 Ca 0.18 -0.27 -0.04 0.00 -2.93 0.00 0.00 61.98 58.93 1o7p s VAL 641 Cb -0.11 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1o7p s VAL 641 CO 0.09 0.20 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.39 1o7p s ILE 642 N 0.25 3.71 -0.12 7.04 1.01 -0.32 -1.75 121.20 131.02 1o7p s ILE 642 Ca -0.03 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1o7p s ILE 642 Cb -0.08 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1o7p s ILE 642 CO 0.00 0.47 -0.13 -0.22 0.00 0.00 0.00 174.94 175.06 1o7p s LEU 643 N 0.67 1.58 -0.19 2.97 0.20 0.01 -0.64 118.68 123.28 1o7p s LEU 643 Ca -0.02 -0.41 -0.05 0.00 0.69 0.00 0.00 54.13 54.34 1o7p s LEU 643 Cb -0.15 -1.04 -0.03 0.00 -0.43 0.00 0.00 46.19 44.54 1o7p s LEU 643 CO 0.02 -0.04 0.00 -2.28 -0.29 0.00 0.00 176.35 173.77 1o7p s HIS 644 N 1.29 3.06 -0.10 5.38 5.65 -0.20 0.12 115.29 130.48 1o7p s HIS 644 Ca -0.01 -0.37 0.02 0.00 0.25 0.00 0.00 55.06 54.96 1o7p s HIS 644 Cb -0.14 -2.06 0.01 0.00 -1.18 0.00 0.00 32.58 29.22 1o7p s HIS 644 CO -0.06 -0.16 -0.15 0.50 -0.65 0.00 0.00 174.74 174.22 1o7p s ARG 645 N 0.81 2.20 -0.04 2.88 3.52 -0.07 -0.99 118.95 127.25 1o7p s ARG 645 Ca 0.01 -0.56 0.04 0.00 -0.13 0.00 0.00 55.73 55.08 1o7p s ARG 645 Cb -0.14 -1.84 0.00 0.00 -1.56 0.00 0.00 34.95 31.41 1o7p s ARG 645 CO 0.02 -0.03 -0.15 0.00 -0.81 0.00 0.00 175.30 174.34 1o7p s ALA 646 N 0.87 1.36 0.05 6.12 0.00 -0.30 -0.18 121.76 129.68 1o7p s ALA 646 Ca -0.09 -0.58 -0.22 0.00 0.00 0.00 0.00 51.96 51.07 1o7p s ALA 646 Cb -0.15 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.54 1o7p s ALA 646 CO 0.00 0.23 0.52 -0.98 0.00 0.00 0.00 175.76 175.53 1o7p s ARG 647 N 0.16 1.04 -1.48 0.00 1.70 -0.64 -1.63 118.95 118.10 1o7p s ARG 647 Ca -0.05 -0.26 -0.10 0.00 -0.47 0.00 0.00 55.73 54.85 1o7p s ARG 647 Cb -0.12 0.48 0.06 0.00 -0.57 0.00 0.00 34.95 34.80 1o7p s ARG 647 CO 0.02 -0.38 0.88 0.54 -1.08 0.00 0.00 175.30 175.28 1o7p n ARG 648 N 0.37 -5.15 0.00 3.89 1.74 -1.26 -1.84 116.66 114.39 1o7p n ARG 648 Ca -0.18 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1o7p n ARG 648 Cb 0.60 -5.34 0.00 0.00 -1.02 0.00 0.00 32.46 26.70 1o7p n ARG 648 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1o7p n GLY 649 N -1.67 1.94 0.33 -0.13 0.00 -1.26 -4.34 105.19 100.06 1o7p n GLY 649 Ca -0.06 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.76 1o7p n GLY 649 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1o7p n ASN 650 N 3.68 0.73 -4.67 1.61 0.23 -1.23 -5.02 115.26 110.59 1o7p n ASN 650 Ca 0.00 -2.25 -0.37 0.00 -0.53 0.00 0.00 54.58 51.42 1o7p n ASN 650 Cb 0.00 -0.25 -0.08 0.00 -2.08 0.00 0.00 39.78 37.37 1o7p n ASN 650 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1o7p s GLN 651 N -0.85 4.15 -0.05 -3.83 0.74 -0.77 -5.01 119.66 114.04 1o7p s GLN 651 Ca 0.09 0.04 -0.01 0.00 0.05 0.00 0.00 55.36 55.53 1o7p s GLN 651 Cb 0.08 -3.52 0.03 0.00 1.10 0.00 0.00 33.01 30.69 1o7p s GLN 651 CO 0.01 0.03 0.03 0.08 -0.55 0.00 0.00 175.29 174.88 1o7p s VAL 652 N 1.13 0.11 -0.05 1.34 1.01 -1.26 -1.63 120.40 121.06 1o7p s VAL 652 Ca 0.15 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.41 1o7p s VAL 652 Cb -0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 1o7p s VAL 652 CO 0.06 0.19 -0.18 -1.81 0.00 0.00 0.00 175.10 173.36 1o7p s ASP 653 N 1.75 2.24 -0.12 3.32 1.01 0.74 -5.00 116.67 120.61 1o7p s ASP 653 Ca 0.00 -0.37 0.03 0.00 0.71 0.00 0.00 52.55 52.93 1o7p s ASP 653 Cb -0.13 -0.63 0.01 0.00 1.01 0.00 0.00 42.92 43.18 1o7p s ASP 653 CO -0.03 0.16 -0.22 -0.69 0.21 0.00 0.00 175.17 174.59 1o7p s VAL 654 N 0.03 2.02 0.01 -1.27 1.01 -1.26 -0.90 120.40 120.04 1o7p s VAL 654 Ca -0.04 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1o7p s VAL 654 Cb -0.12 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1o7p s VAL 654 CO 0.02 0.55 -0.05 -0.36 0.00 0.00 0.00 175.10 175.26 1o7p s PHE 655 N 0.67 2.93 -0.06 5.22 0.40 0.12 -4.94 117.98 122.32 1o7p s PHE 655 Ca -0.11 -0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1o7p s PHE 655 Cb -0.16 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.77 1o7p s PHE 655 CO 0.02 0.40 -0.04 0.71 0.70 0.00 0.00 175.22 177.01 1o7p s TYR 656 N -1.03 0.79 0.04 0.36 1.51 -1.26 -0.81 117.35 116.95 1o7p s TYR 656 Ca 0.18 -0.24 -0.27 0.00 -1.01 0.00 0.00 57.07 55.73 1o7p s TYR 656 Cb -0.11 -0.74 0.08 0.00 -0.11 0.00 0.00 41.96 41.07 1o7p s TYR 656 CO 0.08 -0.25 0.71 0.00 -1.11 0.00 0.00 175.55 174.99 1o7p s ALA 657 N 1.22 -1.72 -0.12 3.71 0.00 -0.72 -4.52 121.76 119.61 1o7p s ALA 657 Ca -0.06 0.92 -0.05 0.00 0.00 0.00 0.00 51.96 52.77 1o7p s ALA 657 Cb -0.14 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1o7p s ALA 657 CO -0.02 -0.60 0.08 0.00 0.00 0.00 0.00 175.76 175.22 1o7p s ALA 658 N -2.66 3.57 -0.16 0.00 0.00 -1.26 -0.40 121.76 120.85 1o7p s ALA 658 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1o7p s ALA 658 Cb -0.01 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1o7p s ALA 658 CO -0.04 0.51 -0.16 1.03 0.00 0.00 0.00 175.76 177.10 1o7p s ARG 659 N -0.68 3.18 -0.43 0.00 0.52 0.14 -4.44 118.95 117.23 1o7p s ARG 659 Ca 0.12 -0.76 -0.13 0.00 -0.52 0.00 0.00 55.73 54.44 1o7p s ARG 659 Cb -0.12 -2.62 0.06 0.00 0.52 0.00 0.00 34.95 32.79 1o7p s ARG 659 CO 0.02 -0.02 0.31 -1.21 0.02 0.00 0.00 175.30 174.42 1o7p s GLU 660 N 0.90 2.83 0.21 3.54 2.02 -0.25 -2.07 118.70 125.89 1o7p s GLU 660 Ca -0.04 -1.30 0.09 0.00 0.02 0.00 0.00 54.97 53.74 1o7p s GLU 660 Cb -0.15 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.10 1o7p s GLU 660 CO -0.02 -0.92 -0.06 -0.51 0.02 0.00 0.00 175.26 173.77 1o7p s ASP 661 N 2.16 4.36 -0.07 -0.19 1.01 0.51 -1.27 116.67 123.18 1o7p s ASP 661 Ca 0.03 -0.60 0.03 0.00 0.71 0.00 0.00 52.55 52.72 1o7p s ASP 661 Cb -0.22 -0.77 0.01 0.00 1.01 0.00 0.00 42.92 42.94 1o7p s ASP 661 CO 0.06 0.07 -0.17 -0.54 0.21 0.00 0.00 175.17 174.80 1o7p s LYS 662 N -3.13 2.13 0.03 8.23 1.02 0.54 -1.66 119.74 126.90 1o7p s LYS 662 Ca 0.27 -0.59 0.06 0.00 0.02 0.00 0.00 55.97 55.74 1o7p s LYS 662 Cb -0.08 -1.70 -0.02 0.00 -0.52 0.00 0.00 37.83 35.51 1o7p s LYS 662 CO 0.17 0.11 -0.18 -1.58 -0.92 0.00 0.00 175.35 172.95 1o7p s TRP 663 N 0.46 1.60 -0.02 3.18 0.52 -0.10 0.11 118.94 124.70 1o7p s TRP 663 Ca -0.14 -0.35 -0.05 0.00 0.02 0.00 0.00 56.10 55.58 1o7p s TRP 663 Cb -0.16 -0.97 0.00 0.00 -1.15 0.00 0.00 33.47 31.20 1o7p s TRP 663 CO 0.05 0.06 0.10 0.21 0.02 0.00 0.00 176.95 177.39 1o7p s LYS 664 N -1.05 0.30 0.17 4.98 2.20 0.60 -0.84 119.74 126.11 1o7p s LYS 664 Ca 0.06 -0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 1o7p s LYS 664 Cb -0.08 0.13 -0.08 0.00 -1.51 0.00 0.00 37.83 36.29 1o7p s LYS 664 CO 0.01 -0.06 1.26 1.03 -0.36 0.00 0.00 175.35 177.23 1o7p s ARG 665 N -0.75 4.43 0.00 4.03 0.52 -1.26 -0.50 118.95 125.42 1o7p s ARG 665 Ca -0.08 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.07 1o7p s ARG 665 Cb -0.05 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1o7p s ARG 665 CO 0.01 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.53 1o7p n GLY 666 N 2.52 4.57 3.72 -3.53 0.00 -0.49 -4.92 105.19 107.05 1o7p n GLY 666 Ca 0.06 -0.73 -0.59 0.00 0.00 0.00 0.00 46.02 44.77 1o7p n GLY 666 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1o7p n GLU 667 N 0.00 1.00 -1.06 1.61 2.13 -1.26 -0.71 120.64 122.35 1o7p n GLU 667 Ca 0.00 0.37 -0.02 0.00 0.66 0.00 0.00 57.16 58.17 1o7p n GLU 667 Cb 0.00 -2.03 -0.01 0.00 0.27 0.00 0.00 31.44 29.67 1o7p n GLU 667 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1o7p n GLY 668 N 4.19 0.48 2.77 8.31 0.00 -1.26 -3.11 105.19 116.58 1o7p n GLY 668 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1o7p n GLY 668 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7p n GLY 669 N -1.56 0.94 3.69 -0.02 0.00 0.11 -5.01 105.19 103.34 1o7p n GLY 669 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1o7p n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o7p s VAL 670 N -3.76 4.02 -0.01 1.61 1.01 -1.18 -4.62 120.40 117.47 1o7p s VAL 670 Ca 0.00 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.06 1o7p s VAL 670 Cb 0.00 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1o7p s VAL 670 CO 0.00 0.01 1.49 -0.60 0.00 0.00 0.00 175.10 176.01 1o7p s ARG 671 N 2.10 4.24 0.15 2.72 3.52 -1.26 -1.39 118.95 129.02 1o7p s ARG 671 Ca 0.59 2.06 0.08 0.00 -0.13 0.00 0.00 55.73 58.33 1o7p s ARG 671 Cb -0.28 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 1o7p s ARG 671 CO 0.25 -0.68 -0.18 0.15 -0.81 0.00 0.00 175.30 174.03 1o7p s LYS 672 N 2.89 1.20 -0.00 5.12 1.02 0.35 -4.84 119.74 125.47 1o7p s LYS 672 Ca 0.67 -1.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 1o7p s LYS 672 Cb -0.33 -1.24 -0.06 0.00 -0.52 0.00 0.00 37.83 35.68 1o7p s LYS 672 CO 0.27 0.25 1.53 -1.17 -0.92 0.00 0.00 175.35 175.32 1o7p s LEU 673 N -2.51 4.32 -0.01 3.17 2.96 0.88 -0.29 118.68 127.21 1o7p s LEU 673 Ca 0.13 2.23 0.09 0.00 -0.22 0.00 0.00 54.13 56.36 1o7p s LEU 673 Cb -0.06 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.96 1o7p s LEU 673 CO 0.05 -0.82 0.29 1.33 -1.32 0.00 0.00 176.35 175.88 1o7p n VAL 674 N 4.93 0.00 -3.66 1.68 0.24 0.12 -0.66 118.33 120.99 1o7p n VAL 674 Ca 0.15 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 62.10 1o7p n VAL 674 Cb 0.43 0.67 -0.08 0.00 -1.47 0.00 0.00 33.84 33.39 1o7p n VAL 674 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1o7p s GLN 675 N -2.20 0.66 -0.06 7.34 0.74 -0.83 -1.81 119.66 123.51 1o7p s GLN 675 Ca 0.00 1.03 0.02 0.00 0.05 0.00 0.00 55.36 56.46 1o7p s GLN 675 Cb 0.06 0.18 0.01 0.00 1.10 0.00 0.00 33.01 34.37 1o7p s GLN 675 CO 0.37 -0.13 -0.10 0.50 -0.55 0.00 0.00 175.29 175.38 1o7p s ARG 676 N 1.16 1.40 -0.09 1.67 3.52 -0.28 -0.34 118.95 125.98 1o7p s ARG 676 Ca -0.07 -0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 1o7p s ARG 676 Cb -0.05 -1.21 0.02 0.00 -1.56 0.00 0.00 34.95 32.15 1o7p s ARG 676 CO -0.12 0.01 -0.12 0.12 -0.81 0.00 0.00 175.30 174.39 1o7p s PHE 677 N 0.68 1.61 -0.06 5.12 5.36 -0.40 -0.63 117.98 129.66 1o7p s PHE 677 Ca -0.13 -0.71 0.02 0.00 -0.96 0.00 0.00 56.93 55.15 1o7p s PHE 677 Cb -0.15 -1.22 0.02 0.00 -0.34 0.00 0.00 43.02 41.33 1o7p s PHE 677 CO 0.03 -0.41 -0.10 0.08 -1.46 0.00 0.00 175.22 173.36 1o7p s VAL 678 N 1.08 0.95 -0.56 3.12 1.01 -0.34 -1.09 120.40 124.56 1o7p s VAL 678 Ca -0.06 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1o7p s VAL 678 Cb -0.14 -0.88 0.14 0.00 0.00 0.00 0.00 36.38 35.49 1o7p s VAL 678 CO -0.02 0.31 0.50 -0.62 0.00 0.00 0.00 175.10 175.27 1o7p s ASP 679 N 0.70 6.12 0.06 3.32 -1.08 -1.26 -0.85 116.67 123.67 1o7p s ASP 679 Ca -0.13 -1.96 -0.31 0.00 -0.52 0.00 0.00 52.55 49.63 1o7p s ASP 679 Cb -0.15 -2.15 -0.08 0.00 -1.46 0.00 0.00 42.92 39.08 1o7p s ASP 679 CO 0.03 -0.77 1.56 -0.47 0.52 0.00 0.00 175.17 176.03 1o7p s TYR 680 N 1.32 2.64 0.21 -5.34 5.04 -0.38 -4.83 117.35 116.01 1o7p s TYR 680 Ca 0.06 0.52 0.20 0.00 -2.44 0.00 0.00 57.07 55.41 1o7p s TYR 680 Cb -0.26 -3.86 0.81 0.00 0.35 0.00 0.00 41.96 39.00 1o7p s TYR 680 CO 0.00 -3.34 1.80 -1.00 -1.34 0.00 0.00 175.55 171.67 1o7p h PRO 681 N 7.99 0.00 -5.31 4.97 0.13 -1.89 -3.43 132.00 134.47 1o7p h PRO 681 Ca -0.41 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.10 1o7p h PRO 681 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1o7p h PRO 681 CO 0.92 0.32 -0.18 -1.21 -0.23 0.00 0.00 178.00 177.62 1o7p s GLU 682 N -3.74 4.10 0.05 0.86 2.02 -1.26 -4.98 118.70 115.75 1o7p s GLU 682 Ca -0.00 0.16 -0.21 0.00 0.02 0.00 0.00 54.97 54.94 1o7p s GLU 682 Cb 0.11 -3.60 -0.13 0.00 0.10 0.00 0.00 34.13 30.61 1o7p s GLU 682 CO 0.67 -0.18 1.41 -0.09 0.02 0.00 0.00 175.26 177.09 1o7p h ARG 683 N 7.77 0.32 -4.80 1.61 9.65 -1.92 -3.39 114.38 123.61 1o7p h ARG 683 Ca -0.33 -0.14 -0.67 0.00 -1.10 0.00 0.00 59.98 57.74 1o7p h ARG 683 Cb 1.16 -0.01 -0.23 0.00 -1.39 0.00 0.00 29.97 29.50 1o7p h ARG 683 CO 0.69 0.63 -0.57 0.42 2.80 0.00 0.00 179.97 183.94 1o7p s ILE 684 N -4.60 4.53 0.20 1.20 1.01 -1.26 -5.02 121.20 117.25 1o7p s ILE 684 Ca -0.14 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1o7p s ILE 684 Cb 0.05 -3.29 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 1o7p s ILE 684 CO 0.74 0.09 1.14 -0.76 0.00 0.00 0.00 174.94 176.15 1o7p s LEU 685 N 1.60 4.48 -0.33 2.97 1.43 -1.26 -4.92 118.68 122.65 1o7p s LEU 685 Ca 0.05 2.18 0.07 0.00 -1.03 0.00 0.00 54.13 55.39 1o7p s LEU 685 Cb -0.17 -3.61 0.48 0.00 0.03 0.00 0.00 46.19 42.92 1o7p s LEU 685 CO 0.06 -0.27 1.43 0.00 0.23 0.00 0.00 176.35 177.80 1o7p n GLN 686 N 2.23 2.40 -0.24 1.70 1.13 -1.26 -4.68 117.38 118.66 1o7p n GLN 686 Ca 0.03 -3.49 0.08 0.00 -1.94 0.00 0.00 57.00 51.67 1o7p n GLN 686 Cb 0.45 -1.98 0.13 0.00 0.11 0.00 0.00 30.24 28.95 1o7p n GLN 686 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1o7p n THR 687 N -0.99 1.60 0.00 5.09 -2.24 -1.26 -5.00 114.28 111.48 1o7p n THR 687 Ca 0.38 -2.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.14 1o7p n THR 687 Cb 0.94 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1o7p n THR 687 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1o7p n HIS 688 N -1.13 0.00 -3.89 4.78 8.25 -1.26 -4.76 115.22 117.21 1o7p n HIS 688 Ca 0.14 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.58 1o7p n HIS 688 Cb 0.67 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.80 1o7p n HIS 688 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1o7p s ASN 689 N 0.00 -0.00 -0.28 0.41 2.20 -1.26 -5.03 114.94 110.98 1o7p s ASN 689 Ca 0.00 -0.58 0.08 0.00 -0.94 0.00 0.00 52.86 51.42 1o7p s ASN 689 Cb 0.00 0.44 0.45 0.00 -2.00 0.00 0.00 41.25 40.14 1o7p s ASN 689 CO 0.00 -0.87 1.27 -0.11 -2.94 0.00 0.00 177.10 174.45 1o7p n LEU 690 N -0.72 4.16 -3.07 3.54 0.00 -1.26 -4.92 117.00 114.73 1o7p n LEU 690 Ca -0.02 -4.32 -0.30 0.00 0.00 0.00 0.00 56.01 51.37 1o7p n LEU 690 Cb 0.59 -0.47 -0.05 0.00 0.00 0.00 0.00 43.42 43.50 1o7p n LEU 690 CO 0.20 1.73 2.81 0.23 0.00 0.00 0.00 177.39 182.36 1o7p n MET 691 N -0.92 2.94 -3.96 1.96 2.81 -1.26 -4.81 117.12 113.88 1o7p n MET 691 Ca 0.35 -1.78 -0.09 0.00 -1.81 0.00 0.00 57.70 54.37 1o7p n MET 691 Cb 0.86 -2.56 -0.11 0.00 -0.71 0.00 0.00 33.22 30.71 1o7p n MET 691 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1o7p s VAL 692 N 2.36 0.11 -0.53 2.03 -7.23 -1.26 -5.10 120.40 110.78 1o7p s VAL 692 Ca 0.60 -0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 59.59 1o7p s VAL 692 Cb 0.17 -0.43 0.04 0.00 0.56 0.00 0.00 36.38 36.73 1o7p s VAL 692 CO -0.04 -0.52 0.84 -0.36 -0.31 0.00 0.00 175.10 174.71 1o7p s PHE 693 N -1.71 2.88 -2.00 2.82 2.99 -1.26 -5.17 117.98 116.53 1o7p s PHE 693 Ca -0.13 -0.15 0.25 0.00 0.00 0.00 0.00 56.93 56.90 1o7p s PHE 693 Cb -0.08 -3.89 1.50 0.00 0.00 0.00 0.00 43.02 40.55 1o7p s PHE 693 CO -0.01 -1.24 1.86 1.28 -0.00 0.00 0.00 175.22 177.11