#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ruy h LEU 502 N 0.00 0.00 -3.00 0.99 5.85 -1.91 -3.30 115.31 113.94 1ruy h LEU 502 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ruy h LEU 502 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ruy h LEU 502 CO 0.00 0.56 0.00 0.49 -0.34 0.00 0.00 178.44 179.15 1ruy n PHE 503 N -3.11 0.76 -0.52 1.25 3.01 -1.26 -4.98 117.46 112.61 1ruy n PHE 503 Ca -0.02 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.83 1ruy n PHE 503 Cb 0.78 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 1ruy n PHE 503 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ruy n GLY 504 N 0.45 0.19 0.00 1.37 0.00 -1.25 -4.86 105.19 101.09 1ruy n GLY 504 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ruy n GLY 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ruy n ALA 505 N 0.98 0.00 -1.76 4.61 0.00 -1.26 -0.70 120.51 122.39 1ruy n ALA 505 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1ruy n ALA 505 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ruy n ALA 505 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ruy s ILE 506 N -0.18 2.09 -2.00 0.00 1.01 -1.26 -0.56 121.20 120.30 1ruy s ILE 506 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1ruy s ILE 506 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1ruy s ILE 506 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 174.94 174.95 1ruy n ALA 507 N 3.51 -0.31 -2.23 9.38 0.00 -1.23 -4.31 120.51 125.31 1ruy n ALA 507 Ca 0.14 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1ruy n ALA 507 Cb 0.36 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1ruy n ALA 507 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ruy n GLY 508 N -0.39 1.60 0.00 0.00 0.00 0.28 -4.78 105.19 101.90 1ruy n GLY 508 Ca -0.19 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 45.91 1ruy n GLY 508 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ruy n PHE 509 N 0.00 0.00 -3.26 1.61 1.16 0.13 -2.95 117.46 114.14 1ruy n PHE 509 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.32 1ruy n PHE 509 Cb 0.00 -0.24 -0.07 0.00 -1.61 0.00 0.00 39.48 37.56 1ruy n PHE 509 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 1ruy n ILE 510 N -1.24 2.03 -0.06 1.97 5.41 -1.05 -2.78 119.36 123.63 1ruy n ILE 510 Ca 0.11 -5.13 0.02 0.00 1.00 0.00 0.00 62.75 58.75 1ruy n ILE 510 Cb 0.15 -1.82 0.03 0.00 -0.71 0.00 0.00 39.64 37.30 1ruy n ILE 510 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ruy n GLU 511 N 0.62 -0.01 -3.62 0.38 1.02 -1.15 -3.53 120.64 114.34 1ruy n GLU 511 Ca 0.29 0.26 -0.16 0.00 -0.02 0.00 0.00 57.16 57.53 1ruy n GLU 511 Cb 0.43 -0.39 -0.05 0.00 -0.02 0.00 0.00 31.44 31.41 1ruy n GLU 511 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ruy n GLY 512 N -1.10 3.39 3.83 0.62 0.00 -1.26 -4.18 105.19 106.50 1ruy n GLY 512 Ca 0.03 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 1ruy n GLY 512 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ruy s GLY 513 N -2.69 1.77 -0.43 -0.02 0.00 -1.26 -4.89 107.32 99.80 1ruy s GLY 513 Ca 0.20 -1.66 -0.08 0.00 0.00 0.00 0.00 44.72 43.18 1ruy s GLY 513 CO 0.14 -1.60 0.27 -0.98 0.00 0.00 0.00 173.10 170.93 1ruy s TRP 514 N -2.31 3.39 0.39 1.90 0.51 -1.26 -4.88 118.94 116.68 1ruy s TRP 514 Ca 0.40 -1.74 0.39 0.00 -2.12 0.00 0.00 56.10 53.02 1ruy s TRP 514 Cb -0.05 -3.11 2.01 0.00 -0.81 0.00 0.00 33.47 31.50 1ruy s TRP 514 CO 0.26 -0.90 2.18 1.79 -0.51 0.00 0.00 176.95 179.76 1ruy h THR 515 N 6.14 0.00 -0.45 2.01 1.35 -2.03 -1.18 112.91 118.75 1ruy h THR 515 Ca -0.21 -0.10 -0.14 0.00 -0.55 0.00 0.00 66.41 65.41 1ruy h THR 515 Cb 1.08 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1ruy h THR 515 CO 0.77 0.00 -0.26 1.23 -0.25 0.00 0.00 175.52 177.01 1ruy h GLY 516 N 0.47 1.05 -4.67 5.82 0.00 -2.03 -3.42 103.07 100.28 1ruy h GLY 516 Ca 0.00 -0.97 -0.53 0.00 0.00 0.00 0.00 47.33 45.83 1ruy h GLY 516 CO 0.00 0.88 0.80 -2.27 0.00 0.00 0.00 176.54 175.95 1ruy s LEU 517 N -9.03 4.36 0.00 3.11 2.96 -0.45 -4.90 118.68 114.73 1ruy s LEU 517 Ca -0.11 2.33 0.20 0.00 -0.22 0.00 0.00 54.13 56.33 1ruy s LEU 517 Cb 0.12 -3.58 0.33 0.00 0.50 0.00 0.00 46.19 43.56 1ruy s LEU 517 CO 0.87 -0.72 1.12 2.30 -1.32 0.00 0.00 176.35 178.61 1ruy n ILE 518 N 4.21 0.00 -0.09 6.68 -0.00 -1.26 -4.83 119.36 124.07 1ruy n ILE 518 Ca 0.13 -0.77 0.00 0.00 -0.00 0.00 0.00 62.75 62.11 1ruy n ILE 518 Cb 0.42 0.88 0.00 0.00 -0.00 0.00 0.00 39.64 40.94 1ruy n ILE 518 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1ruy n ASP 519 N 0.39 0.50 -2.03 7.28 8.00 -1.26 -5.10 116.55 124.33 1ruy n ASP 519 Ca 0.02 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1ruy n ASP 519 Cb 1.04 0.35 0.01 0.00 -0.02 0.00 0.00 41.12 42.50 1ruy n ASP 519 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ruy n GLY 520 N 0.35 0.63 0.09 0.44 0.00 -1.26 -4.89 105.19 100.56 1ruy n GLY 520 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 1ruy n GLY 520 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1ruy h TRP 521 N 1.38 0.12 -4.17 1.61 6.55 -1.93 -3.47 115.95 116.06 1ruy h TRP 521 Ca -0.09 -0.09 -0.68 0.00 0.95 0.00 0.00 58.89 58.98 1ruy h TRP 521 Cb 0.45 -0.00 -0.31 0.00 -0.86 0.00 0.00 29.16 28.44 1ruy h TRP 521 CO 0.00 1.19 -0.88 0.71 -1.05 0.00 0.00 178.44 178.40 1ruy s TYR 522 N -2.59 2.36 0.10 0.49 4.12 -1.26 -5.06 117.35 115.51 1ruy s TYR 522 Ca -0.08 -0.63 -0.07 0.00 0.02 0.00 0.00 57.07 56.30 1ruy s TYR 522 Cb 0.08 -1.54 0.03 0.00 -1.52 0.00 0.00 41.96 39.00 1ruy s TYR 522 CO 0.81 -0.17 0.35 0.41 0.02 0.00 0.00 175.55 176.97 1ruy n GLY 523 N 2.82 1.27 3.49 0.71 0.00 -1.26 -0.72 105.19 111.50 1ruy n GLY 523 Ca -0.17 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 1ruy n GLY 523 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ruy s TYR 524 N -5.31 2.40 0.00 1.61 1.51 0.93 -4.91 117.35 113.58 1ruy s TYR 524 Ca 0.07 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1ruy s TYR 524 Cb -0.01 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 1ruy s TYR 524 CO 0.03 0.60 0.00 1.58 -1.11 0.00 0.00 175.55 176.65 1ruy n HIS 525 N -0.25 0.00 -0.54 2.71 -0.00 -1.26 -1.13 115.22 114.75 1ruy n HIS 525 Ca -0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.09 1ruy n HIS 525 Cb 0.58 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 1ruy n HIS 525 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1ruy n HIS 526 N -2.35 -1.16 -3.51 1.57 -0.00 -1.26 -3.91 115.22 104.59 1ruy n HIS 526 Ca 0.00 0.63 -0.28 0.00 -0.00 0.00 0.00 57.72 58.07 1ruy n HIS 526 Cb 0.00 -2.11 -0.11 0.00 -0.00 0.00 0.00 29.99 27.77 1ruy n HIS 526 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1ruy s GLN 527 N -3.31 1.17 0.63 -1.40 0.74 -1.26 -3.52 119.66 112.71 1ruy s GLN 527 Ca 0.00 -2.24 -0.01 0.00 0.05 0.00 0.00 55.36 53.16 1ruy s GLN 527 Cb 0.00 -1.83 0.06 0.00 1.10 0.00 0.00 33.01 32.35 1ruy s GLN 527 CO 0.00 -1.33 0.89 1.21 -0.55 0.00 0.00 175.29 175.50 1ruy s ASN 528 N -0.08 4.92 0.09 6.67 2.47 -0.79 -4.98 114.94 123.24 1ruy s ASN 528 Ca 0.29 0.01 -0.23 0.00 0.42 0.00 0.00 52.86 53.35 1ruy s ASN 528 Cb -0.03 -0.71 -0.15 0.00 -1.45 0.00 0.00 41.25 38.92 1ruy s ASN 528 CO -0.16 -1.44 1.74 -0.33 -3.72 0.00 0.00 177.10 173.19 1ruy h GLU 529 N -0.25 0.00 -0.20 0.43 5.08 -1.97 -2.21 114.58 115.46 1ruy h GLU 529 Ca -0.41 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1ruy h GLU 529 Cb 1.29 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1ruy h GLU 529 CO 0.51 0.00 0.31 1.96 -1.00 0.00 0.00 179.01 180.79 1ruy h GLN 530 N 0.00 0.00 0.00 2.33 4.20 -1.94 -3.47 115.11 116.23 1ruy h GLN 530 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ruy h GLN 530 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ruy h GLN 530 CO -0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.56 1ruy n GLY 531 N -1.36 0.44 0.00 3.46 0.00 -0.83 -5.11 105.19 101.79 1ruy n GLY 531 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1ruy n GLY 531 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ruy n SER 532 N 0.00 1.46 0.00 1.61 7.64 -1.26 -1.89 113.62 121.18 1ruy n SER 532 Ca 0.00 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1ruy n SER 532 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ruy n SER 532 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ruy n GLY 533 N 5.00 0.91 3.07 0.23 0.00 -1.23 -5.01 105.19 108.16 1ruy n GLY 533 Ca 0.00 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 1ruy n GLY 533 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ruy s TYR 534 N -2.26 0.61 -0.16 1.61 1.51 -1.25 -4.22 117.35 113.19 1ruy s TYR 534 Ca 0.00 -0.68 -0.09 0.00 -1.01 0.00 0.00 57.07 55.30 1ruy s TYR 534 Cb 0.00 -0.38 0.06 0.00 -0.11 0.00 0.00 41.96 41.53 1ruy s TYR 534 CO 0.00 -0.16 0.39 0.00 -1.11 0.00 0.00 175.55 174.67 1ruy s ALA 535 N -2.24 -0.99 0.28 3.71 0.00 -0.28 -5.00 121.76 117.23 1ruy s ALA 535 Ca -0.04 1.47 -0.18 0.00 0.00 0.00 0.00 51.96 53.20 1ruy s ALA 535 Cb -0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 23.12 22.08 1ruy s ALA 535 CO -0.02 -0.27 0.76 0.00 0.00 0.00 0.00 175.76 176.22 1ruy s ALA 536 N 1.42 3.34 -0.73 0.00 0.00 -1.26 -0.05 121.76 124.48 1ruy s ALA 536 Ca -0.09 0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 1ruy s ALA 536 Cb -0.09 -2.85 0.12 0.00 0.00 0.00 0.00 23.12 20.30 1ruy s ALA 536 CO -0.12 0.31 0.88 0.34 0.00 0.00 0.00 175.76 177.16 1ruy s ASP 537 N -1.92 6.38 0.10 0.00 3.68 0.10 -4.90 116.67 120.11 1ruy s ASP 537 Ca 0.49 -1.69 -0.28 0.00 2.13 0.00 0.00 52.55 53.21 1ruy s ASP 537 Cb -0.14 -2.34 -0.10 0.00 -1.45 0.00 0.00 42.92 38.89 1ruy s ASP 537 CO 0.19 -1.09 1.45 1.56 0.13 0.00 0.00 175.17 177.41 1ruy h GLN 538 N 8.98 -0.42 -0.76 4.34 1.08 -1.93 -1.13 115.11 125.26 1ruy h GLN 538 Ca -0.11 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.21 1ruy h GLN 538 Cb 1.06 0.10 -0.11 0.00 -0.05 0.00 0.00 27.48 28.48 1ruy h GLN 538 CO 1.07 -0.28 -0.36 1.17 -0.95 0.00 0.00 178.83 179.48 1ruy n LYS 539 N -4.91 -0.24 0.18 1.46 3.00 -1.26 -0.07 118.16 116.31 1ruy n LYS 539 Ca -0.04 1.16 -0.07 0.00 -0.00 0.00 0.00 58.31 59.35 1ruy n LYS 539 Cb 0.30 -1.71 -0.03 0.00 0.00 0.00 0.00 35.03 33.59 1ruy n LYS 539 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1ruy h SER 540 N 0.00 -0.39 -0.92 3.14 0.02 -1.82 -2.74 113.55 110.84 1ruy h SER 540 Ca 0.20 0.01 0.25 0.00 -0.84 0.00 0.00 61.79 61.42 1ruy h SER 540 Cb 0.39 0.10 -0.14 0.00 0.14 0.00 0.00 62.40 62.90 1ruy h SER 540 CO -0.73 -0.24 0.38 0.74 -1.14 0.00 0.00 176.83 175.84 1ruy h THR 541 N -0.52 0.38 0.08 -2.27 2.02 -0.51 -1.52 112.91 110.57 1ruy h THR 541 Ca -0.05 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1ruy h THR 541 Cb 0.35 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1ruy h THR 541 CO 0.08 0.06 -0.04 -0.61 0.37 0.00 0.00 175.52 175.38 1ruy h GLN 542 N 0.32 -0.10 -0.62 6.66 5.75 -0.55 -0.48 115.11 126.09 1ruy h GLN 542 Ca 0.60 0.01 0.15 0.00 -0.15 0.00 0.00 58.65 59.26 1ruy h GLN 542 Cb 1.23 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.77 1ruy h GLN 542 CO -0.59 0.26 0.43 -0.91 -2.65 0.00 0.00 178.83 175.37 1ruy h ASN 543 N -0.48 0.14 -0.05 -0.69 2.35 -1.03 0.20 115.58 116.01 1ruy h ASN 543 Ca -0.01 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1ruy h ASN 543 Cb 0.41 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1ruy h ASN 543 CO 0.02 0.07 -0.19 0.00 -1.65 0.00 0.00 177.43 175.69 1ruy h ALA 544 N 1.70 0.09 -0.80 -0.83 0.00 -1.08 -2.10 119.26 116.23 1ruy h ALA 544 Ca 0.30 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ruy h ALA 544 Cb 0.96 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1ruy h ALA 544 CO -0.04 0.04 0.50 0.82 0.00 0.00 0.00 179.25 180.57 1ruy h ILE 545 N -0.33 1.08 -0.07 0.00 2.04 0.55 0.49 117.51 121.27 1ruy h ILE 545 Ca -0.01 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1ruy h ILE 545 Cb 0.83 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1ruy h ILE 545 CO 0.04 0.17 0.04 0.44 0.00 0.00 0.00 178.15 178.84 1ruy h ASP 546 N 0.95 0.10 -0.34 1.72 3.32 -0.70 -0.33 116.42 121.14 1ruy h ASP 546 Ca 0.33 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1ruy h ASP 546 Cb 0.07 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1ruy h ASP 546 CO -0.14 0.19 0.22 1.23 -1.72 0.00 0.00 179.24 179.02 1ruy h GLY 547 N -0.00 0.48 1.06 2.75 0.00 -0.79 0.61 103.07 107.19 1ruy h GLY 547 Ca 0.03 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1ruy h GLY 547 CO -0.00 0.17 0.04 -2.22 0.00 0.00 0.00 176.54 174.53 1ruy h ILE 548 N 0.46 1.26 -0.24 2.60 1.08 -0.87 0.34 117.51 122.14 1ruy h ILE 548 Ca 0.13 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1ruy h ILE 548 Cb -0.05 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1ruy h ILE 548 CO -0.03 0.40 0.14 0.74 -0.69 0.00 0.00 178.15 178.71 1ruy h THR 549 N 0.96 1.10 -0.08 -0.27 2.02 -0.78 -0.08 112.91 115.78 1ruy h THR 549 Ca 0.18 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1ruy h THR 549 Cb 0.50 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1ruy h THR 549 CO 0.02 0.10 -0.09 -1.13 0.37 0.00 0.00 175.52 174.79 1ruy h ASN 550 N 0.30 0.10 0.09 4.18 -1.24 -0.57 -1.70 115.58 116.74 1ruy h ASN 550 Ca 0.09 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 1ruy h ASN 550 Cb 0.03 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1ruy h ASN 550 CO -0.02 0.21 -0.05 0.50 -1.29 0.00 0.00 177.43 176.79 1ruy h LYS 551 N 0.11 -0.12 -0.41 6.67 3.64 0.08 -1.44 116.57 125.10 1ruy h LYS 551 Ca 0.02 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1ruy h LYS 551 Cb 0.23 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1ruy h LYS 551 CO 0.01 0.29 0.25 0.28 -2.27 0.00 0.00 179.45 178.01 1ruy h VAL 552 N -0.58 1.06 -0.79 2.00 2.07 -0.85 -1.16 116.25 118.01 1ruy h VAL 552 Ca -0.01 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1ruy h VAL 552 Cb 0.47 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1ruy h VAL 552 CO 0.02 0.09 0.51 0.78 0.02 0.00 0.00 177.57 178.99 1ruy h ASN 553 N 0.51 0.85 -0.62 0.57 2.35 -1.35 -1.31 115.58 116.57 1ruy h ASN 553 Ca 0.16 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1ruy h ASN 553 Cb -0.01 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1ruy h ASN 553 CO -0.06 0.60 0.29 0.28 -1.65 0.00 0.00 177.43 176.88 1ruy h SER 554 N 1.00 0.85 0.55 5.81 0.02 -0.70 0.63 113.55 121.71 1ruy h SER 554 Ca 0.31 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1ruy h SER 554 Cb -0.03 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.30 1ruy h SER 554 CO -0.10 0.74 -0.26 0.58 -1.14 0.00 0.00 176.83 176.65 1ruy h VAL 555 N 0.93 0.35 -1.00 2.27 2.07 -0.60 -2.63 116.25 117.63 1ruy h VAL 555 Ca 0.22 -0.33 0.17 0.00 0.82 0.00 0.00 66.70 67.58 1ruy h VAL 555 Cb 0.13 0.46 -0.10 0.00 -1.52 0.00 0.00 31.29 30.26 1ruy h VAL 555 CO -0.03 0.04 0.61 0.40 0.02 0.00 0.00 177.57 178.62 1ruy h ILE 556 N -0.98 0.76 -0.71 4.57 5.03 -1.06 -1.37 117.51 123.75 1ruy h ILE 556 Ca -0.08 -0.28 0.04 0.00 -0.12 0.00 0.00 64.86 64.42 1ruy h ILE 556 Cb 0.64 -0.13 -0.05 0.00 -3.03 0.00 0.00 36.82 34.25 1ruy h ILE 556 CO 0.12 0.15 0.44 -0.33 -0.68 0.00 0.00 178.15 177.85 1ruy h GLU 557 N 0.81 0.81 0.00 2.37 5.08 -0.73 -2.33 114.58 120.60 1ruy h GLU 557 Ca 0.56 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.85 1ruy h GLU 557 Cb 0.80 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ruy h GLU 557 CO -0.36 0.54 -0.08 0.87 -1.00 0.00 0.00 179.01 178.98 1ruy h LYS 558 N 0.84 0.00 -5.97 2.33 1.79 -0.87 -3.41 116.57 111.28 1ruy h LYS 558 Ca 0.29 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.19 1ruy h LYS 558 Cb 0.06 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.65 1ruy h LYS 558 CO -0.13 0.08 -0.06 -1.64 -1.08 0.00 0.00 179.45 176.62 1ruy s MET 559 N -4.43 4.29 0.51 3.15 -1.94 -0.88 -5.07 119.30 114.94 1ruy s MET 559 Ca -0.04 0.62 -0.04 0.00 -1.71 0.00 0.00 55.69 54.53 1ruy s MET 559 Cb 0.14 -3.37 -0.01 0.00 2.01 0.00 0.00 34.83 33.61 1ruy s MET 559 CO 0.59 0.32 0.79 -0.80 -0.01 0.00 0.00 175.02 175.91 1ruy s ASN 560 N 0.04 5.84 0.28 3.03 0.01 -1.26 -4.96 114.94 117.91 1ruy s ASN 560 Ca 0.29 0.62 -0.23 0.00 -0.71 0.00 0.00 52.86 52.83 1ruy s ASN 560 Cb -0.17 -1.79 -0.09 0.00 0.41 0.00 0.00 41.25 39.61 1ruy s ASN 560 CO 0.15 -0.82 0.84 -0.89 -1.51 0.00 0.00 177.10 174.87 1ruy s THR 561 N -2.78 4.38 -0.29 1.60 2.01 -1.26 -5.03 115.64 114.26 1ruy s THR 561 Ca 0.50 1.58 -0.19 0.00 0.31 0.00 0.00 61.69 63.89 1ruy s THR 561 Cb -0.10 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 1ruy s THR 561 CO 0.43 0.17 0.57 -1.58 -0.69 0.00 0.00 174.62 173.52 1ruy s GLN 562 N -2.01 3.93 0.00 4.92 2.00 -1.26 -5.06 119.66 122.18 1ruy s GLN 562 Ca 0.47 0.25 0.00 0.00 -2.00 0.00 0.00 55.36 54.08 1ruy s GLN 562 Cb -0.18 -3.71 0.00 0.00 0.80 0.00 0.00 33.01 29.92 1ruy s GLN 562 CO 0.22 -0.50 0.00 1.19 -0.50 0.00 0.00 175.29 175.71 1ruy n PHE 563 N 5.73 -0.06 -1.64 1.67 3.01 -1.26 -4.98 117.46 119.93 1ruy n PHE 563 Ca -0.03 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 57.99 1ruy n PHE 563 Cb 0.49 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.92 1ruy n PHE 563 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ruy n THR 564 N -0.02 0.60 -3.55 4.37 -1.04 -1.26 -4.93 114.28 108.45 1ruy n THR 564 Ca 0.00 -0.21 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 1ruy n THR 564 Cb 0.00 -2.24 -0.14 0.00 -1.82 0.00 0.00 70.33 66.14 1ruy n THR 564 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ruy s ALA 565 N 5.43 0.96 0.27 2.41 0.00 -1.26 -5.14 121.76 124.44 1ruy s ALA 565 Ca 0.94 -1.55 0.10 0.00 0.00 0.00 0.00 51.96 51.45 1ruy s ALA 565 Cb -0.50 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 1ruy s ALA 565 CO 0.43 -1.85 -0.05 0.14 0.00 0.00 0.00 175.76 174.43 1ruy s VAL 566 N 1.54 3.22 0.83 0.00 -7.23 -1.26 -5.14 120.40 112.37 1ruy s VAL 566 Ca 0.13 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.14 1ruy s VAL 566 Cb -0.19 -2.71 0.21 0.00 0.56 0.00 0.00 36.38 34.25 1ruy s VAL 566 CO -0.19 -0.37 0.68 0.61 -0.31 0.00 0.00 175.10 175.51 1ruy n GLY 567 N -0.80 -2.93 3.02 2.32 0.00 -1.26 -5.09 105.19 100.45 1ruy n GLY 567 Ca -0.06 -1.43 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 1ruy n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ruy s LYS 568 N -4.55 0.41 0.26 1.61 1.02 -1.26 -5.16 119.74 112.07 1ruy s LYS 568 Ca 0.45 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.77 1ruy s LYS 568 Cb -0.05 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.26 1ruy s LYS 568 CO 0.35 -0.04 0.22 -2.00 -0.92 0.00 0.00 175.35 172.96 1ruy s GLU 569 N -1.89 2.93 -0.03 1.68 2.12 -1.26 -5.12 118.70 117.13 1ruy s GLU 569 Ca -0.11 -1.07 -0.07 0.00 0.36 0.00 0.00 54.97 54.08 1ruy s GLU 569 Cb -0.07 -2.57 0.01 0.00 0.26 0.00 0.00 34.13 31.76 1ruy s GLU 569 CO -0.02 0.36 0.16 -0.06 -0.54 0.00 0.00 175.26 175.17 1ruy s PHE 570 N -2.15 -0.08 0.85 5.30 0.08 -1.26 -5.07 117.98 115.65 1ruy s PHE 570 Ca 0.34 0.17 -0.08 0.00 0.12 0.00 0.00 56.93 57.48 1ruy s PHE 570 Cb -0.08 0.01 0.17 0.00 -0.57 0.00 0.00 43.02 42.55 1ruy s PHE 570 CO 0.25 -0.20 1.16 0.54 -0.10 0.00 0.00 175.22 176.88 1ruy s ASN 571 N -0.66 3.71 0.14 1.36 2.20 -1.26 -4.93 114.94 115.50 1ruy s ASN 571 Ca -0.08 -0.06 0.09 0.00 -0.94 0.00 0.00 52.86 51.88 1ruy s ASN 571 Cb -0.04 -0.14 0.51 0.00 -2.00 0.00 0.00 41.25 39.57 1ruy s ASN 571 CO 0.01 -2.32 1.28 2.29 -2.94 0.00 0.00 177.10 175.42 1ruy n LYS 572 N -3.31 0.06 -0.54 3.55 2.85 -1.26 -1.61 118.16 117.90 1ruy n LYS 572 Ca 0.15 0.55 0.03 0.00 -1.05 0.00 0.00 58.31 58.00 1ruy n LYS 572 Cb 0.60 -1.71 0.21 0.00 -0.65 0.00 0.00 35.03 33.48 1ruy n LYS 572 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ruy n LEU 573 N -1.82 3.57 -2.20 -5.58 4.77 -1.26 -4.52 117.00 109.95 1ruy n LEU 573 Ca -0.01 -3.43 -0.08 0.00 -0.03 0.00 0.00 56.01 52.46 1ruy n LEU 573 Cb 0.03 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1ruy n LEU 573 CO 0.04 1.00 0.10 -0.62 -1.33 0.00 0.00 177.39 176.58 1ruy n GLU 574 N -0.99 2.22 0.07 3.23 1.02 -0.64 -4.85 120.64 120.70 1ruy n GLU 574 Ca 0.25 -3.57 -0.01 0.00 -0.02 0.00 0.00 57.16 53.81 1ruy n GLU 574 Cb 0.88 -1.68 0.27 0.00 -0.02 0.00 0.00 31.44 30.89 1ruy n GLU 574 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1ruy h LYS 575 N 2.14 0.33 -0.10 3.49 3.64 -1.80 -1.10 116.57 123.18 1ruy h LYS 575 Ca 0.05 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ruy h LYS 575 Cb 1.41 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1ruy h LYS 575 CO 0.37 0.57 0.04 0.00 -2.27 0.00 0.00 179.45 178.15 1ruy h ARG 576 N 0.29 0.14 0.00 1.90 3.08 -1.96 -0.97 114.38 116.87 1ruy h ARG 576 Ca 0.05 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1ruy h ARG 576 Cb 0.61 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1ruy h ARG 576 CO 0.04 0.24 -0.40 -0.84 -1.07 0.00 0.00 179.97 177.94 1ruy h ILE 577 N 0.02 0.85 -0.74 2.04 3.07 -1.93 -0.37 117.51 120.44 1ruy h ILE 577 Ca 0.03 -1.70 -0.06 0.00 1.55 0.00 0.00 64.86 64.69 1ruy h ILE 577 Cb 0.15 2.06 -0.03 0.00 -0.27 0.00 0.00 36.82 38.73 1ruy h ILE 577 CO -0.00 0.39 0.25 -0.08 -1.05 0.00 0.00 178.15 177.66 1ruy h GLU 578 N 0.00 1.14 -0.20 0.16 4.81 -0.94 0.13 114.58 119.69 1ruy h GLU 578 Ca -0.00 -0.24 -0.19 0.00 -0.13 0.00 0.00 59.36 58.80 1ruy h GLU 578 Cb 1.03 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1ruy h GLU 578 CO 0.05 0.96 -0.65 -0.91 -0.73 0.00 0.00 179.01 177.74 1ruy h ASN 579 N 1.09 0.83 -0.48 1.04 2.35 -0.86 -1.72 115.58 117.82 1ruy h ASN 579 Ca 0.24 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1ruy h ASN 579 Cb 0.29 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1ruy h ASN 579 CO -0.01 1.26 0.29 0.25 -1.65 0.00 0.00 177.43 177.57 1ruy h LEU 580 N 0.53 0.48 -1.21 1.61 6.46 -0.75 0.40 115.31 122.81 1ruy h LEU 580 Ca -0.01 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 1ruy h LEU 580 Cb 1.24 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 1ruy h LEU 580 CO 0.13 0.34 0.11 -1.13 -0.62 0.00 0.00 178.44 177.27 1ruy h ASN 581 N 0.59 0.61 -0.12 1.25 -1.24 -0.88 -1.42 115.58 114.36 1ruy h ASN 581 Ca 0.19 -0.09 -0.22 0.00 0.71 0.00 0.00 56.30 56.90 1ruy h ASN 581 Cb 0.01 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 38.91 1ruy h ASN 581 CO -0.08 0.60 -0.75 -1.13 -1.29 0.00 0.00 177.43 174.78 1ruy h ASN 582 N 0.64 0.90 0.03 1.15 -0.73 -0.40 -2.26 115.58 114.92 1ruy h ASN 582 Ca 0.15 -0.58 -0.04 0.00 1.87 0.00 0.00 56.30 57.71 1ruy h ASN 582 Cb 0.23 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 1ruy h ASN 582 CO -0.00 1.37 -0.10 0.50 -0.37 0.00 0.00 177.43 178.82 1ruy h LYS 583 N 0.53 0.16 0.06 6.67 3.64 0.27 -1.52 116.57 126.38 1ruy h LYS 583 Ca -0.04 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.04 1ruy h LYS 583 Cb 1.37 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 33.19 1ruy h LYS 583 CO 0.15 0.28 -1.08 0.28 -2.27 0.00 0.00 179.45 176.81 1ruy h VAL 584 N 0.16 1.30 -0.05 2.00 2.07 -1.15 -1.30 116.25 119.29 1ruy h VAL 584 Ca 0.03 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 65.22 1ruy h VAL 584 Cb 0.29 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1ruy h VAL 584 CO 0.02 0.71 0.00 0.44 0.02 0.00 0.00 177.57 178.76 1ruy h ASP 585 N 0.27 0.08 -0.55 0.57 3.32 -1.11 -2.18 116.42 116.81 1ruy h ASP 585 Ca -0.15 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.55 1ruy h ASP 585 Cb 1.76 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 41.26 1ruy h ASP 585 CO 0.21 0.35 0.13 0.44 -1.72 0.00 0.00 179.24 178.64 1ruy h ASP 586 N -0.19 0.88 0.27 6.45 3.32 -1.40 -1.83 116.42 123.92 1ruy h ASP 586 Ca 0.01 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1ruy h ASP 586 Cb 0.30 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1ruy h ASP 586 CO 0.00 0.87 -0.53 1.23 -1.72 0.00 0.00 179.24 179.09 1ruy h GLY 587 N 1.02 -1.21 2.00 2.75 0.00 -1.03 0.72 103.07 107.31 1ruy h GLY 587 Ca 0.19 0.63 -0.08 0.00 0.00 0.00 0.00 47.33 48.07 1ruy h GLY 587 CO 0.00 -0.31 -0.36 0.74 0.00 0.00 0.00 176.54 176.61 1ruy h PHE 588 N -0.86 0.00 -0.17 5.60 0.05 -1.39 -2.02 116.94 118.16 1ruy h PHE 588 Ca -0.03 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.75 1ruy h PHE 588 Cb 0.81 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.75 1ruy h PHE 588 CO -0.38 0.36 0.07 1.25 -0.18 0.00 0.00 178.31 179.43 1ruy h LEU 589 N 0.00 0.23 -1.06 1.54 5.85 -0.86 -0.76 115.31 120.24 1ruy h LEU 589 Ca -0.00 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 1ruy h LEU 589 Cb 0.74 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1ruy h LEU 589 CO 0.05 0.34 -0.27 0.44 -0.34 0.00 0.00 178.44 178.66 1ruy h ASP 590 N 0.11 0.34 0.02 1.25 3.32 -0.66 -1.87 116.42 118.93 1ruy h ASP 590 Ca 0.06 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1ruy h ASP 590 Cb 0.18 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1ruy h ASP 590 CO -0.00 0.61 -0.01 0.40 -1.72 0.00 0.00 179.24 178.51 1ruy h ILE 591 N 0.30 1.16 -0.10 0.35 1.08 -0.95 -1.81 117.51 117.54 1ruy h ILE 591 Ca 0.04 -0.55 -0.10 0.00 -0.39 0.00 0.00 64.86 63.86 1ruy h ILE 591 Cb 0.64 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 1ruy h ILE 591 CO 0.05 0.14 -0.40 -0.50 -0.69 0.00 0.00 178.15 176.75 1ruy h TRP 592 N -0.26 0.25 -0.45 1.37 4.06 -1.09 0.26 115.95 120.09 1ruy h TRP 592 Ca -0.00 -0.06 -0.12 0.00 2.06 0.00 0.00 58.89 60.77 1ruy h TRP 592 Cb 0.25 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 1ruy h TRP 592 CO 0.01 0.59 -0.17 1.15 -3.56 0.00 0.00 178.44 176.45 1ruy h THR 593 N 0.18 1.27 0.61 1.49 2.02 -1.32 -0.04 112.91 117.13 1ruy h THR 593 Ca 0.02 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 1ruy h THR 593 Cb 0.79 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1ruy h THR 593 CO 0.06 0.45 -0.32 0.22 0.37 0.00 0.00 175.52 176.30 1ruy h TYR 594 N 0.75 -0.84 -0.79 3.16 3.20 -0.96 -1.73 116.97 119.76 1ruy h TYR 594 Ca 0.11 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.09 1ruy h TYR 594 Cb 0.73 0.29 -0.09 0.00 1.54 0.00 0.00 36.73 39.20 1ruy h TYR 594 CO 0.05 -0.51 0.38 -0.91 -1.64 0.00 0.00 178.16 175.54 1ruy h ASN 595 N -0.86 0.45 -0.15 -2.11 4.21 -0.79 0.07 115.58 116.40 1ruy h ASN 595 Ca -0.08 0.09 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 1ruy h ASN 595 Cb 0.68 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 1ruy h ASN 595 CO 0.11 0.21 -0.02 0.00 -1.29 0.00 0.00 177.43 176.44 1ruy h ALA 596 N 1.52 0.21 -0.18 -0.83 0.00 -0.83 -1.47 119.26 117.67 1ruy h ALA 596 Ca 0.42 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1ruy h ALA 596 Cb 0.57 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ruy h ALA 596 CO -0.35 -0.07 -0.15 0.93 0.00 0.00 0.00 179.25 179.62 1ruy h GLU 597 N 0.00 0.43 -0.84 0.00 5.08 -1.05 -2.40 114.58 115.80 1ruy h GLU 597 Ca 0.04 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1ruy h GLU 597 Cb 0.42 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1ruy h GLU 597 CO 0.01 0.77 0.50 1.25 -1.00 0.00 0.00 179.01 180.54 1ruy h LEU 598 N 0.10 1.02 0.09 1.33 7.12 -1.05 0.20 115.31 124.12 1ruy h LEU 598 Ca 0.03 -0.07 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1ruy h LEU 598 Cb 0.68 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1ruy h LEU 598 CO 0.04 0.80 -0.04 0.25 -0.13 0.00 0.00 178.44 179.35 1ruy h LEU 599 N 1.16 -0.10 -0.37 2.25 5.85 -1.24 -1.48 115.31 121.38 1ruy h LEU 599 Ca 0.30 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ruy h LEU 599 Cb -0.03 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ruy h LEU 599 CO -0.05 0.09 0.23 0.58 -0.34 0.00 0.00 178.44 178.94 1ruy h VAL 600 N -0.29 1.11 -0.30 1.05 2.07 -1.19 -1.01 116.25 117.69 1ruy h VAL 600 Ca -0.01 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1ruy h VAL 600 Cb 0.24 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1ruy h VAL 600 CO 0.02 0.11 -0.02 0.25 0.02 0.00 0.00 177.57 177.94 1ruy h LEU 601 N 0.48 -0.17 -0.69 2.57 6.46 -0.51 -1.14 115.31 122.31 1ruy h LEU 601 Ca 0.13 0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.84 1ruy h LEU 601 Cb -0.02 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1ruy h LEU 601 CO -0.03 -0.05 -0.40 -0.07 -0.62 0.00 0.00 178.44 177.28 1ruy h LEU 602 N 0.06 0.59 -0.46 2.25 4.07 -1.08 -3.15 115.31 117.59 1ruy h LEU 602 Ca 0.14 -0.26 -0.12 0.00 0.08 0.00 0.00 57.88 57.73 1ruy h LEU 602 Cb 0.20 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1ruy h LEU 602 CO -0.26 0.92 -0.55 -0.33 -1.08 0.00 0.00 178.44 177.14 1ruy h GLU 603 N 0.46 0.00 -0.70 1.13 4.39 -0.92 -2.71 114.58 116.23 1ruy h GLU 603 Ca 0.04 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1ruy h GLU 603 Cb 0.89 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1ruy h GLU 603 CO 0.08 0.55 0.29 -0.91 -1.16 0.00 0.00 179.01 177.85 1ruy h ASN 604 N 0.00 0.95 0.15 1.42 2.35 -1.17 0.29 115.58 119.56 1ruy h ASN 604 Ca -0.01 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1ruy h ASN 604 Cb 1.22 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1ruy h ASN 604 CO 0.07 0.86 -0.07 -0.08 -1.65 0.00 0.00 177.43 176.56 1ruy h GLU 605 N 0.99 -0.19 -0.98 0.81 4.57 -1.53 -1.87 114.58 116.37 1ruy h GLU 605 Ca 0.23 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.48 1ruy h GLU 605 Cb 0.19 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 1ruy h GLU 605 CO -0.02 -0.09 0.63 0.00 -1.18 0.00 0.00 179.01 178.35 1ruy h ARG 606 N -0.24 1.13 -0.20 1.92 2.47 -1.14 -1.19 114.38 117.13 1ruy h ARG 606 Ca -0.02 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1ruy h ARG 606 Cb 0.19 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1ruy h ARG 606 CO 0.03 0.75 0.06 1.15 0.56 0.00 0.00 179.97 182.52 1ruy h THR 607 N 1.16 1.19 -0.65 2.04 2.02 -0.21 0.27 112.91 118.74 1ruy h THR 607 Ca 0.42 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1ruy h THR 607 Cb 0.13 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1ruy h THR 607 CO -0.16 0.19 0.38 -0.07 0.37 0.00 0.00 175.52 176.23 1ruy h LEU 608 N 0.16 0.78 -1.00 2.58 3.38 -0.97 -1.57 115.31 118.67 1ruy h LEU 608 Ca 0.07 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ruy h LEU 608 Cb 0.24 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1ruy h LEU 608 CO -0.00 0.62 0.22 0.44 0.09 0.00 0.00 178.44 179.81 1ruy h ASP 609 N 0.88 0.87 -0.27 -0.43 3.32 -1.06 -1.51 116.42 118.23 1ruy h ASP 609 Ca 0.23 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.19 1ruy h ASP 609 Cb -0.01 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 1ruy h ASP 609 CO -0.04 0.80 0.05 0.15 -1.72 0.00 0.00 179.24 178.48 1ruy h PHE 610 N 0.92 0.08 -0.34 4.55 3.57 -0.17 0.27 116.94 125.82 1ruy h PHE 610 Ca 0.21 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1ruy h PHE 610 Cb 0.22 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1ruy h PHE 610 CO 0.02 0.02 0.18 0.45 -2.23 0.00 0.00 178.31 176.75 1ruy h HIS 611 N 0.15 0.48 -0.68 0.41 3.86 -0.98 -0.67 115.15 117.73 1ruy h HIS 611 Ca 0.12 -0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.40 1ruy h HIS 611 Cb 0.13 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.38 1ruy h HIS 611 CO -0.16 0.40 0.33 0.22 0.86 0.00 0.00 177.93 179.57 1ruy h ASP 612 N 0.43 0.43 -0.74 2.45 -0.00 -0.57 -0.34 116.42 118.06 1ruy h ASP 612 Ca 0.12 0.06 -0.05 0.00 -0.00 0.00 0.00 57.03 57.16 1ruy h ASP 612 Cb 0.08 -0.01 -0.03 0.00 -0.00 0.00 0.00 39.33 39.37 1ruy h ASP 612 CO -0.02 0.25 0.29 -1.28 -0.00 0.00 0.00 179.24 178.48 1ruy h SER 613 N 0.57 1.04 -0.34 2.28 0.87 -0.03 -1.79 113.55 116.16 1ruy h SER 613 Ca 0.33 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1ruy h SER 613 Cb 0.34 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1ruy h SER 613 CO -0.26 0.93 0.03 0.78 -0.53 0.00 0.00 176.83 177.78 1ruy h ASN 614 N 1.10 0.56 0.14 6.23 2.35 0.43 -0.44 115.58 125.95 1ruy h ASN 614 Ca 0.25 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1ruy h ASN 614 Cb 0.22 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1ruy h ASN 614 CO -0.02 0.70 -0.09 0.58 -1.65 0.00 0.00 177.43 176.95 1ruy h VAL 615 N 0.40 0.80 -0.47 2.81 2.07 -1.03 -1.06 116.25 119.78 1ruy h VAL 615 Ca 0.10 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.72 1ruy h VAL 615 Cb 0.40 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 1ruy h VAL 615 CO 0.01 0.00 -0.16 0.50 0.02 0.00 0.00 177.57 177.94 1ruy h LYS 616 N -0.23 -0.05 -0.67 1.57 1.63 -1.19 -1.58 116.57 116.05 1ruy h LYS 616 Ca -0.01 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 1ruy h LYS 616 Cb 0.20 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1ruy h LYS 616 CO 0.00 -0.03 0.17 -0.91 -3.45 0.00 0.00 179.45 175.23 1ruy h ASN 617 N -0.05 1.00 -0.89 4.20 2.35 -0.81 -2.09 115.58 119.29 1ruy h ASN 617 Ca 0.23 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1ruy h ASN 617 Cb 0.40 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1ruy h ASN 617 CO -0.51 0.96 0.59 0.25 -1.65 0.00 0.00 177.43 177.06 1ruy h LEU 618 N 1.01 1.02 0.51 1.61 5.85 -0.36 0.06 115.31 125.01 1ruy h LEU 618 Ca 0.21 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1ruy h LEU 618 Cb 0.34 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1ruy h LEU 618 CO -0.00 0.73 -0.24 0.22 -0.34 0.00 0.00 178.44 178.81 1ruy h TYR 619 N 1.20 -0.63 -1.06 1.25 3.20 -0.89 -1.72 116.97 118.32 1ruy h TYR 619 Ca 0.33 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.46 1ruy h TYR 619 Cb -0.13 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.26 1ruy h TYR 619 CO -0.00 -0.39 0.69 0.93 -1.64 0.00 0.00 178.16 177.74 1ruy h GLU 620 N -0.77 0.34 0.28 1.82 4.39 -1.22 0.36 114.58 119.78 1ruy h GLU 620 Ca -0.07 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1ruy h GLU 620 Cb 0.52 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1ruy h GLU 620 CO 0.11 0.22 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.83 1ruy h LYS 621 N 0.35 -0.37 -0.49 2.33 3.64 -0.87 -1.80 116.57 119.36 1ruy h LYS 621 Ca 0.60 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 60.06 1ruy h LYS 621 Cb 1.61 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.46 1ruy h LYS 621 CO -0.28 -0.08 0.23 0.28 -2.27 0.00 0.00 179.45 177.33 1ruy h VAL 622 N -0.64 0.92 -0.12 2.00 2.07 -0.02 -2.71 116.25 117.76 1ruy h VAL 622 Ca -0.04 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1ruy h VAL 622 Cb 0.45 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1ruy h VAL 622 CO 0.06 0.08 -0.28 -0.09 0.02 0.00 0.00 177.57 177.37 1ruy h ARG 623 N 0.45 -0.34 0.00 1.57 2.43 -0.29 -0.64 114.38 117.56 1ruy h ARG 623 Ca 0.22 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1ruy h ARG 623 Cb 0.16 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1ruy h ARG 623 CO -0.18 -0.23 0.00 -1.13 -1.51 0.00 0.00 179.97 176.93 1ruy n SER 624 N -5.39 0.00 0.03 -3.80 3.41 -0.69 -1.36 113.62 105.83 1ruy n SER 624 Ca -0.03 0.31 -0.22 0.00 -0.26 0.00 0.00 58.87 58.67 1ruy n SER 624 Cb 0.30 -0.40 -0.14 0.00 -0.26 0.00 0.00 64.21 63.72 1ruy n SER 624 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1ruy h GLN 625 N 0.00 0.29 0.06 4.33 4.20 -0.82 -3.37 115.11 119.80 1ruy h GLN 625 Ca 0.00 -0.49 -0.24 0.00 0.06 0.00 0.00 58.65 57.98 1ruy h GLN 625 Cb 0.17 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1ruy h GLN 625 CO 0.00 1.23 -1.07 -0.07 -0.67 0.00 0.00 178.83 178.26 1ruy h LEU 626 N -0.24 0.35 0.00 1.46 3.38 -0.97 -3.43 115.31 115.86 1ruy h LEU 626 Ca -0.28 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1ruy h LEU 626 Cb 1.80 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1ruy h LEU 626 CO 0.10 1.20 0.00 0.29 0.09 0.00 0.00 178.44 180.12 1ruy n LYS 627 N -3.58 0.00 0.06 1.13 5.02 -0.46 -0.98 118.16 119.35 1ruy n LYS 627 Ca -0.06 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.30 1ruy n LYS 627 Cb 0.92 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.89 1ruy n LYS 627 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ruy n ASN 628 N 5.95 0.76 0.00 4.39 3.02 -1.26 -4.32 115.26 123.81 1ruy n ASN 628 Ca 0.00 0.31 0.01 0.00 -0.03 0.00 0.00 54.58 54.87 1ruy n ASN 628 Cb 0.00 0.50 0.03 0.00 -0.61 0.00 0.00 39.78 39.70 1ruy n ASN 628 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ruy n ASN 629 N -2.72 0.00 -3.62 6.41 5.03 -0.15 -4.76 115.26 115.46 1ruy n ASN 629 Ca -0.04 -0.68 -0.03 0.00 0.87 0.00 0.00 54.58 54.69 1ruy n ASN 629 Cb 0.66 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.41 1ruy n ASN 629 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ruy s ALA 630 N -2.00 -1.98 0.17 5.41 0.00 -1.26 -1.71 121.76 120.39 1ruy s ALA 630 Ca 0.02 0.85 0.11 0.00 0.00 0.00 0.00 51.96 52.93 1ruy s ALA 630 Cb 0.01 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1ruy s ALA 630 CO 0.01 -0.86 -0.22 -1.59 0.00 0.00 0.00 175.76 173.10 1ruy s LYS 631 N -2.76 1.61 -0.59 0.00 -2.85 -0.05 -4.85 119.74 110.25 1ruy s LYS 631 Ca 0.11 -1.41 -0.27 0.00 -1.00 0.00 0.00 55.97 53.39 1ruy s LYS 631 Cb 0.01 -1.93 0.03 0.00 -2.06 0.00 0.00 37.83 33.87 1ruy s LYS 631 CO -0.04 0.42 1.16 -1.21 0.10 0.00 0.00 175.35 175.78 1ruy s GLU 632 N -2.51 3.45 0.02 1.78 2.02 -1.26 -1.30 118.70 120.90 1ruy s GLU 632 Ca 0.20 0.11 -0.18 0.00 0.02 0.00 0.00 54.97 55.12 1ruy s GLU 632 Cb -0.09 -4.04 -0.22 0.00 0.10 0.00 0.00 34.13 29.89 1ruy s GLU 632 CO 0.10 -1.69 1.14 0.82 0.02 0.00 0.00 175.26 175.66 1ruy h ILE 633 N 6.12 1.39 0.00 -1.63 1.08 -1.68 -3.49 117.51 119.31 1ruy h ILE 633 Ca -0.25 -2.04 0.00 0.00 -0.39 0.00 0.00 64.86 62.18 1ruy h ILE 633 Cb 1.06 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 37.27 1ruy h ILE 633 CO 1.18 0.60 0.00 0.61 -0.69 0.00 0.00 178.15 179.85 1ruy n GLY 634 N 0.98 2.35 2.38 5.37 0.00 -1.24 -4.97 105.19 110.05 1ruy n GLY 634 Ca -0.10 -2.00 -0.17 0.00 0.00 0.00 0.00 46.02 43.74 1ruy n GLY 634 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ruy n ASN 635 N 0.00 -4.86 -1.67 1.61 3.02 -1.12 -1.46 115.26 110.79 1ruy n ASN 635 Ca 0.00 0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.64 1ruy n ASN 635 Cb 0.00 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 1ruy n ASN 635 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ruy n GLY 636 N -0.66 -0.13 3.50 7.41 0.00 -1.26 -4.80 105.19 109.25 1ruy n GLY 636 Ca -0.19 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1ruy n GLY 636 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ruy s PHE 638 N -0.93 2.77 -0.35 0.00 0.40 -1.26 -1.58 117.98 117.03 1ruy s PHE 638 Ca 0.15 -1.46 -0.16 0.00 -0.60 0.00 0.00 56.93 54.86 1ruy s PHE 638 Cb -0.11 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 1ruy s PHE 638 CO 0.06 -0.71 0.42 -2.00 0.70 0.00 0.00 175.22 173.68 1ruy s GLU 639 N 1.17 3.52 0.99 0.44 2.12 -0.42 -4.88 118.70 121.64 1ruy s GLU 639 Ca 0.02 -0.38 -0.12 0.00 0.36 0.00 0.00 54.97 54.85 1ruy s GLU 639 Cb -0.14 -3.82 0.19 0.00 0.26 0.00 0.00 34.13 30.61 1ruy s GLU 639 CO -0.09 -0.60 1.08 -0.06 -0.54 0.00 0.00 175.26 175.06 1ruy s PHE 640 N 2.14 1.94 -0.10 5.30 0.40 -1.26 -0.87 117.98 125.53 1ruy s PHE 640 Ca 0.14 1.24 -0.01 0.00 -0.60 0.00 0.00 56.93 57.69 1ruy s PHE 640 Cb -0.16 -3.19 -0.06 0.00 0.51 0.00 0.00 43.02 40.12 1ruy s PHE 640 CO 0.12 -2.95 -0.11 0.66 0.70 0.00 0.00 175.22 173.65 1ruy n TYR 641 N -4.26 0.00 -2.22 0.36 0.53 -0.69 -4.77 117.16 106.11 1ruy n TYR 641 Ca 0.06 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.55 1ruy n TYR 641 Cb 0.55 -0.38 0.01 0.00 -1.03 0.00 0.00 39.34 38.49 1ruy n TYR 641 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45 1ruy n HIS 642 N -3.04 2.63 0.00 -0.72 1.44 -1.26 -4.97 115.22 109.30 1ruy n HIS 642 Ca -0.19 -2.54 0.00 0.00 -2.01 0.00 0.00 57.72 52.98 1ruy n HIS 642 Cb 0.67 -1.41 0.00 0.00 0.12 0.00 0.00 29.99 29.38 1ruy n HIS 642 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1ruy n LYS 643 N 0.49 0.00 -3.29 -1.40 4.76 -1.26 -4.83 118.16 112.64 1ruy n LYS 643 Ca 0.53 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.54 1ruy n LYS 643 Cb 0.28 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.39 1ruy n LYS 643 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ruy s ASP 645 N 1.92 2.95 0.19 0.00 3.84 -1.26 -4.63 116.67 119.68 1ruy s ASP 645 Ca 0.13 0.36 -0.18 0.00 -0.00 0.00 0.00 52.55 52.86 1ruy s ASP 645 Cb -0.17 -0.46 0.16 0.00 -1.38 0.00 0.00 42.92 41.07 1ruy s ASP 645 CO 0.14 -2.84 1.61 0.78 -0.00 0.00 0.00 175.17 174.86 1ruy h ASN 646 N -1.72 -0.84 0.73 2.11 -0.26 -1.97 0.40 115.58 114.04 1ruy h ASN 646 Ca -0.45 0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 1ruy h ASN 646 Cb 1.25 0.46 0.00 0.00 -1.06 0.00 0.00 38.32 38.97 1ruy h ASN 646 CO 0.40 -0.26 0.00 -0.62 -1.06 0.00 0.00 177.43 175.89 1ruy n GLU 647 N -5.42 0.14 0.07 0.81 -0.58 -1.26 -1.96 120.64 112.43 1ruy n GLU 647 Ca 0.05 0.34 -0.21 0.00 -0.42 0.00 0.00 57.16 56.92 1ruy n GLU 647 Cb 0.33 -1.75 -0.15 0.00 -0.57 0.00 0.00 31.44 29.30 1ruy n GLU 647 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ruy h MET 649 N -0.23 -0.41 -1.02 0.00 2.86 -0.38 -2.03 114.93 113.71 1ruy h MET 649 Ca -0.20 0.03 0.25 0.00 -2.06 0.00 0.00 59.70 57.73 1ruy h MET 649 Cb 1.79 0.09 -0.11 0.00 0.06 0.00 0.00 31.60 33.43 1ruy h MET 649 CO 0.17 -0.28 0.62 1.49 1.06 0.00 0.00 176.91 179.98 1ruy h GLU 650 N -0.43 0.51 -0.21 1.72 4.57 -1.50 0.32 114.58 119.57 1ruy h GLU 650 Ca -0.01 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1ruy h GLU 650 Cb 0.39 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1ruy h GLU 650 CO -0.02 0.33 -0.07 0.66 -1.18 0.00 0.00 179.01 178.73 1ruy h SER 651 N 0.52 0.30 -0.25 1.04 4.64 -1.24 -1.58 113.55 116.98 1ruy h SER 651 Ca 0.63 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.82 1ruy h SER 651 Cb 1.32 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1ruy h SER 651 CO -0.41 0.41 -0.15 0.58 -0.87 0.00 0.00 176.83 176.39 1ruy h VAL 652 N 0.30 1.31 0.53 0.95 2.07 -0.16 0.49 116.25 121.73 1ruy h VAL 652 Ca 0.07 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1ruy h VAL 652 Cb 0.33 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1ruy h VAL 652 CO 0.02 0.39 -0.33 0.03 0.02 0.00 0.00 177.57 177.70 1ruy h ARG 653 N 0.26 -0.78 -0.14 1.57 3.08 -0.88 -2.32 114.38 115.17 1ruy h ARG 653 Ca 0.05 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ruy h ARG 653 Cb 0.68 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1ruy h ARG 653 CO 0.04 -0.52 0.00 0.27 -1.07 0.00 0.00 179.97 178.70 1ruy n ASN 654 N -4.44 0.14 -1.19 7.04 0.23 -0.65 -4.80 115.26 111.60 1ruy n ASN 654 Ca -0.10 -0.94 -0.16 0.00 -0.53 0.00 0.00 54.58 52.86 1ruy n ASN 654 Cb 0.34 -0.07 -0.07 0.00 -2.08 0.00 0.00 39.78 37.90 1ruy n ASN 654 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ruy n GLY 655 N 0.06 1.51 0.10 4.83 0.00 -0.87 -4.86 105.19 105.95 1ruy n GLY 655 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1ruy n GLY 655 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ruy h THR 656 N 0.00 1.10 0.00 2.61 1.35 -1.14 -3.43 112.91 113.40 1ruy h THR 656 Ca -0.32 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 1ruy h THR 656 Cb 1.20 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 1ruy h THR 656 CO 0.47 0.46 0.00 0.00 -0.25 0.00 0.00 175.52 176.20 1ruy n TYR 657 N -4.35 0.00 -2.53 4.73 9.36 0.15 -4.80 117.16 119.73 1ruy n TYR 657 Ca -0.26 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 60.94 1ruy n TYR 657 Cb 0.69 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.39 1ruy n TYR 657 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ruy n ASP 658 N 0.00 -4.27 -3.14 2.98 2.03 -1.26 -4.99 116.55 107.90 1ruy n ASP 658 Ca 0.00 1.22 0.05 0.00 0.52 0.00 0.00 54.79 56.58 1ruy n ASP 658 Cb 0.00 -2.94 0.00 0.00 -0.72 0.00 0.00 41.12 37.46 1ruy n ASP 658 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1ruy s TYR 659 N -0.24 -0.57 0.00 -0.67 6.04 -1.26 -5.20 117.35 115.45 1ruy s TYR 659 Ca -0.06 0.32 0.00 0.00 0.04 0.00 0.00 57.07 57.38 1ruy s TYR 659 Cb 0.00 0.10 0.00 0.00 -1.04 0.00 0.00 41.96 41.02 1ruy s TYR 659 CO 0.16 -0.34 0.00 -2.30 -1.54 0.00 0.00 175.55 171.53