#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9b n THR 502 N 0.00 0.00 -2.01 1.39 -1.04 -1.26 -5.17 114.28 106.20 1b9b n THR 502 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1b9b n THR 502 Cb 0.00 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 1b9b n THR 502 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1b9b n ARG 503 N -3.13 -5.51 -3.15 -2.82 1.74 -1.26 -4.92 116.66 97.61 1b9b n ARG 503 Ca 0.00 3.92 -0.40 0.00 -0.77 0.00 0.00 57.85 60.60 1b9b n ARG 503 Cb 0.00 -4.25 -0.07 0.00 -1.02 0.00 0.00 32.46 27.13 1b9b n ARG 503 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1b9b s LYS 504 N -1.13 4.10 0.90 5.56 2.20 -1.26 -5.05 119.74 125.06 1b9b s LYS 504 Ca 0.00 0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 55.98 1b9b s LYS 504 Cb 0.00 -3.65 0.12 0.00 -1.51 0.00 0.00 37.83 32.80 1b9b s LYS 504 CO 0.00 -0.38 1.08 1.28 -0.36 0.00 0.00 175.35 176.96 1b9b n LEU 505 N 5.62 3.16 -3.77 5.43 7.99 -1.26 -4.88 117.00 129.29 1b9b n LEU 505 Ca -0.02 0.45 -0.13 0.00 -0.01 0.00 0.00 56.01 56.30 1b9b n LEU 505 Cb 0.49 -1.45 -0.14 0.00 -0.11 0.00 0.00 43.42 42.21 1b9b n LEU 505 CO 0.42 -2.23 -0.21 -0.63 -1.51 0.00 0.00 177.39 173.23 1b9b s ILE 506 N -2.50 -0.03 -0.24 -0.08 1.01 -0.64 -2.84 121.20 115.87 1b9b s ILE 506 Ca 0.67 0.13 0.02 0.00 0.00 0.00 0.00 60.65 61.47 1b9b s ILE 506 Cb -0.24 -0.25 0.05 0.00 0.01 0.00 0.00 42.46 42.03 1b9b s ILE 506 CO 0.58 0.05 -0.12 -0.22 0.00 0.00 0.00 174.94 175.23 1b9b s LEU 507 N 0.87 3.04 -0.00 2.97 2.96 -0.04 -1.00 118.68 127.46 1b9b s LEU 507 Ca -0.07 -1.20 0.07 0.00 -0.22 0.00 0.00 54.13 52.71 1b9b s LEU 507 Cb -0.08 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1b9b s LEU 507 CO -0.04 -0.16 -0.21 0.00 -1.32 0.00 0.00 176.35 174.62 1b9b s ALA 508 N 1.18 2.40 -0.25 5.97 0.00 0.12 -0.51 121.76 130.67 1b9b s ALA 508 Ca -0.06 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 1b9b s ALA 508 Cb -0.18 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1b9b s ALA 508 CO -0.07 0.55 -0.05 0.20 0.00 0.00 0.00 175.76 176.39 1b9b s GLY 509 N -0.91 1.63 -0.83 0.00 0.00 0.13 0.22 107.32 107.55 1b9b s GLY 509 Ca 0.12 -1.41 -0.15 0.00 0.00 0.00 0.00 44.72 43.28 1b9b s GLY 509 CO 0.01 0.51 0.82 0.21 0.00 0.00 0.00 173.10 174.65 1b9b s ASN 510 N 1.36 6.72 0.44 1.64 2.47 0.19 -1.05 114.94 126.73 1b9b s ASN 510 Ca 0.01 -2.56 0.15 0.00 0.42 0.00 0.00 52.86 50.88 1b9b s ASN 510 Cb -0.16 -2.24 1.06 0.00 -1.45 0.00 0.00 41.25 38.46 1b9b s ASN 510 CO -0.04 -0.66 1.99 -0.50 -3.72 0.00 0.00 177.10 174.16 1b9b h TRP 511 N 7.99 0.39 0.00 0.43 4.06 -1.79 -3.41 115.95 123.62 1b9b h TRP 511 Ca 0.10 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.06 1b9b h TRP 511 Cb 1.04 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 1b9b h TRP 511 CO 1.05 0.19 0.00 1.63 -3.56 0.00 0.00 178.44 177.75 1b9b n LYS 512 N -4.47 0.00 -2.72 0.49 5.02 -1.26 -4.10 118.16 111.12 1b9b n LYS 512 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 1b9b n LYS 512 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1b9b n LYS 512 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1b9b n MET 513 N 0.12 3.38 0.00 1.97 0.00 -1.26 -4.47 117.12 116.86 1b9b n MET 513 Ca 0.00 -3.65 0.00 0.00 -0.00 0.00 0.00 57.70 54.05 1b9b n MET 513 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 33.22 30.13 1b9b n MET 513 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1b9b n HIS 514 N 5.69 0.00 -4.25 1.12 8.25 -1.26 -5.13 115.22 119.64 1b9b n HIS 514 Ca 0.40 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.59 1b9b n HIS 514 Cb 0.42 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.44 1b9b n HIS 514 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1b9b s LYS 515 N -1.26 2.25 0.21 -0.41 1.02 -1.26 -5.10 119.74 115.19 1b9b s LYS 515 Ca 0.00 -1.20 0.03 0.00 0.02 0.00 0.00 55.97 54.81 1b9b s LYS 515 Cb 0.00 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1b9b s LYS 515 CO 0.00 0.44 0.36 0.95 -0.92 0.00 0.00 175.35 176.18 1b9b s THR 516 N -1.77 5.26 0.49 2.17 -4.23 -1.26 -4.81 115.64 111.49 1b9b s THR 516 Ca 0.27 -0.72 0.34 0.00 -1.18 0.00 0.00 61.69 60.40 1b9b s THR 516 Cb -0.09 -3.80 0.54 0.00 1.34 0.00 0.00 72.50 70.50 1b9b s THR 516 CO 0.17 -0.24 1.70 0.40 -0.54 0.00 0.00 174.62 176.12 1b9b h ILE 517 N 1.36 0.27 0.15 2.99 2.04 -1.93 0.11 117.51 122.50 1b9b h ILE 517 Ca -0.50 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1b9b h ILE 517 Cb 1.21 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1b9b h ILE 517 CO 0.65 0.02 -0.07 0.77 0.00 0.00 0.00 178.15 179.52 1b9b h SER 518 N 0.10 -0.17 -1.08 1.72 4.64 -1.99 -1.21 113.55 115.55 1b9b h SER 518 Ca 0.72 0.01 0.30 0.00 -0.47 0.00 0.00 61.79 62.35 1b9b h SER 518 Cb 2.50 0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 64.52 1b9b h SER 518 CO -0.18 -0.02 0.68 -0.33 -0.87 0.00 0.00 176.83 176.10 1b9b h GLU 519 N -0.41 0.34 0.61 4.77 5.08 -1.77 -0.94 114.58 122.27 1b9b h GLU 519 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1b9b h GLU 519 Cb 0.16 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1b9b h GLU 519 CO 0.03 0.23 -0.29 0.00 -1.00 0.00 0.00 179.01 177.98 1b9b h ALA 520 N 1.67 -0.82 -0.99 3.43 0.00 -0.85 -2.45 119.26 119.26 1b9b h ALA 520 Ca 0.67 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 55.58 1b9b h ALA 520 Cb 1.70 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 19.71 1b9b h ALA 520 CO -0.40 -0.85 0.62 0.87 0.00 0.00 0.00 179.25 179.50 1b9b h LYS 521 N -1.05 0.62 0.00 0.00 1.57 0.09 -1.37 116.57 116.42 1b9b h LYS 521 Ca -0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1b9b h LYS 521 Cb 0.68 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1b9b h LYS 521 CO 0.14 0.41 0.00 1.63 -0.57 0.00 0.00 179.45 181.06 1b9b n LYS 522 N -4.70 0.00 -0.34 3.15 5.02 -0.81 -2.56 118.16 117.93 1b9b n LYS 522 Ca 0.23 0.35 0.17 0.00 -2.02 0.00 0.00 58.31 57.03 1b9b n LYS 522 Cb 0.65 -1.26 0.32 0.00 -0.02 0.00 0.00 35.03 34.72 1b9b n LYS 522 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1b9b h PHE 523 N 0.00 0.05 0.04 2.13 3.57 -1.24 -0.88 116.94 120.61 1b9b h PHE 523 Ca 0.00 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1b9b h PHE 523 Cb 0.00 0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1b9b h PHE 523 CO 0.13 -0.44 -0.02 0.28 -2.23 0.00 0.00 178.31 176.04 1b9b h VAL 524 N 0.01 1.00 -0.34 1.41 2.07 -1.31 -2.41 116.25 116.67 1b9b h VAL 524 Ca 0.63 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 68.08 1b9b h VAL 524 Cb 1.35 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1b9b h VAL 524 CO -0.91 0.03 0.12 0.28 0.02 0.00 0.00 177.57 177.10 1b9b h SER 525 N -0.10 0.12 -0.71 0.57 0.02 -0.90 0.11 113.55 112.67 1b9b h SER 525 Ca -0.01 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 1b9b h SER 525 Cb 0.08 0.03 -0.12 0.00 0.14 0.00 0.00 62.40 62.53 1b9b h SER 525 CO 0.01 0.10 -0.44 0.25 -1.14 0.00 0.00 176.83 175.61 1b9b h LEU 526 N 0.26 -1.55 -0.09 5.07 5.85 -1.20 -1.47 115.31 122.18 1b9b h LEU 526 Ca 0.16 0.27 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 1b9b h LEU 526 Cb 0.13 0.72 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1b9b h LEU 526 CO -0.16 -0.31 0.04 -0.07 -0.34 0.00 0.00 178.44 177.60 1b9b h LEU 527 N -0.15 0.12 -1.92 2.25 4.07 -0.87 -1.95 115.31 116.85 1b9b h LEU 527 Ca 0.21 -0.14 0.47 0.00 0.08 0.00 0.00 57.88 58.50 1b9b h LEU 527 Cb 0.55 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.20 1b9b h LEU 527 CO -0.77 0.23 1.20 0.58 -1.08 0.00 0.00 178.44 178.60 1b9b h VAL 528 N 0.01 0.14 0.03 1.22 2.07 0.29 -0.29 116.25 119.73 1b9b h VAL 528 Ca 0.03 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.17 1b9b h VAL 528 Cb 0.14 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 1b9b h VAL 528 CO -0.00 0.00 -2.34 0.59 0.02 0.00 0.00 177.57 175.84 1b9b n ASN 529 N -3.95 2.02 0.39 0.57 3.02 -1.08 -4.19 115.26 112.04 1b9b n ASN 529 Ca 0.36 -0.02 -0.19 0.00 -0.03 0.00 0.00 54.58 54.69 1b9b n ASN 529 Cb 1.70 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 40.22 1b9b n ASN 529 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1b9b h GLU 530 N -0.02 -1.09 -2.75 3.52 4.39 -0.30 -3.06 114.58 115.27 1b9b h GLU 530 Ca -0.54 0.07 -0.76 0.00 0.34 0.00 0.00 59.36 58.48 1b9b h GLU 530 Cb 1.92 0.25 -0.16 0.00 -0.10 0.00 0.00 28.75 30.66 1b9b h GLU 530 CO -0.05 -0.73 2.05 1.28 -1.16 0.00 0.00 179.01 180.40 1b9b n LEU 531 N -5.60 7.60 0.03 1.33 7.99 -0.65 -4.66 117.00 123.03 1b9b n LEU 531 Ca -0.14 -4.94 -0.22 0.00 -0.01 0.00 0.00 56.01 50.70 1b9b n LEU 531 Cb 0.48 -1.35 -0.14 0.00 -0.11 0.00 0.00 43.42 42.30 1b9b n LEU 531 CO 0.33 1.91 -0.62 -0.74 -1.51 0.00 0.00 177.39 176.76 1b9b h HIS 532 N 4.81 0.54 0.00 -1.77 2.76 -1.70 -3.36 115.15 116.43 1b9b h HIS 532 Ca 0.59 -0.40 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1b9b h HIS 532 Cb 0.38 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.32 1b9b h HIS 532 CO 1.47 1.69 -0.27 -3.47 -1.30 0.00 0.00 177.93 176.04 1b9b n ASP 533 N -3.66 0.31 -4.56 3.26 2.03 -1.26 -4.82 116.55 107.84 1b9b n ASP 533 Ca -0.28 0.13 -0.38 0.00 0.52 0.00 0.00 54.79 54.77 1b9b n ASP 533 Cb 1.01 -0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 41.26 1b9b n ASP 533 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1b9b s VAL 534 N -3.01 3.13 -0.01 5.18 1.01 -1.26 -4.72 120.40 120.72 1b9b s VAL 534 Ca 0.12 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1b9b s VAL 534 Cb 0.18 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1b9b s VAL 534 CO 0.62 -0.25 0.69 2.29 0.00 0.00 0.00 175.10 178.46 1b9b n LYS 535 N 8.95 0.70 -0.01 2.72 2.85 -1.26 -4.79 118.16 127.32 1b9b n LYS 535 Ca 0.31 -0.86 0.13 0.00 -1.05 0.00 0.00 58.31 56.84 1b9b n LYS 535 Cb 0.52 -0.65 0.46 0.00 -0.65 0.00 0.00 35.03 34.71 1b9b n LYS 535 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1b9b n GLU 536 N -0.17 1.75 -3.27 -1.58 0.00 -1.26 -4.96 120.64 111.16 1b9b n GLU 536 Ca 0.01 -1.10 -0.02 0.00 0.00 0.00 0.00 57.16 56.05 1b9b n GLU 536 Cb 0.48 -1.47 0.02 0.00 0.00 0.00 0.00 31.44 30.46 1b9b n GLU 536 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1b9b n PHE 537 N 0.33 -1.09 -4.77 -1.84 1.16 -1.26 -4.67 117.46 105.33 1b9b n PHE 537 Ca 0.18 -0.91 -0.33 0.00 -1.87 0.00 0.00 57.45 54.52 1b9b n PHE 537 Cb 0.38 0.44 -0.15 0.00 -1.61 0.00 0.00 39.48 38.55 1b9b n PHE 537 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1b9b s GLU 538 N -2.04 3.35 -0.18 3.97 2.02 -1.13 -5.05 118.70 119.65 1b9b s GLU 538 Ca 0.18 -0.70 -0.06 0.00 0.02 0.00 0.00 54.97 54.40 1b9b s GLU 538 Cb -0.02 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1b9b s GLU 538 CO 0.04 0.19 0.04 0.42 0.02 0.00 0.00 175.26 175.96 1b9b s ILE 539 N 0.41 4.57 -0.07 -1.63 1.09 -1.26 -0.86 121.20 123.45 1b9b s ILE 539 Ca -0.11 -0.11 0.03 0.00 -1.10 0.00 0.00 60.65 59.36 1b9b s ILE 539 Cb -0.16 -3.05 0.01 0.00 -1.06 0.00 0.00 42.46 38.20 1b9b s ILE 539 CO 0.05 0.47 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.50 1b9b s VAL 540 N 0.38 1.51 -0.09 2.92 1.01 0.33 -1.50 120.40 124.95 1b9b s VAL 540 Ca 0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1b9b s VAL 540 Cb -0.13 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1b9b s VAL 540 CO 0.01 0.44 -0.06 0.68 0.00 0.00 0.00 175.10 176.17 1b9b s VAL 541 N 0.42 3.79 -0.55 2.92 -7.23 -0.45 0.17 120.40 119.47 1b9b s VAL 541 Ca -0.14 -0.43 0.04 0.00 -1.81 0.00 0.00 61.98 59.64 1b9b s VAL 541 Cb -0.16 -2.58 0.15 0.00 0.56 0.00 0.00 36.38 34.36 1b9b s VAL 541 CO 0.05 0.57 0.36 0.00 -0.31 0.00 0.00 175.10 175.77 1b9b s PRO 543 N -0.49 2.75 0.62 0.00 0.04 -1.24 -2.96 135.00 133.72 1b9b s PRO 543 Ca 0.23 0.33 -0.18 0.00 0.04 0.00 0.00 61.00 61.42 1b9b s PRO 543 Cb -0.13 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1b9b s PRO 543 CO -0.09 -1.05 1.18 -2.14 0.04 0.00 0.00 177.00 174.93 1b9b s PRO 544 N -5.32 2.86 0.22 0.56 0.02 -1.26 -4.52 135.00 127.55 1b9b s PRO 544 Ca 0.58 1.71 -0.16 0.00 0.02 0.00 0.00 61.00 63.14 1b9b s PRO 544 Cb -0.11 -1.93 0.24 0.00 0.02 0.00 0.00 34.50 32.73 1b9b s PRO 544 CO 0.50 -1.27 1.58 0.74 -0.33 0.00 0.00 177.00 178.22 1b9b h PHE 545 N 0.58 -0.81 -0.97 6.54 0.04 -1.96 -0.06 116.94 120.30 1b9b h PHE 545 Ca -0.49 0.08 0.32 0.00 2.80 0.00 0.00 57.97 60.69 1b9b h PHE 545 Cb 1.28 0.47 -0.16 0.00 2.20 0.00 0.00 35.95 39.74 1b9b h PHE 545 CO 0.49 -0.38 0.39 1.79 -0.60 0.00 0.00 178.31 180.00 1b9b h THR 546 N -0.06 0.16 -0.87 -1.55 1.35 -1.97 -1.74 112.91 108.23 1b9b h THR 546 Ca 0.33 -0.05 -0.58 0.00 -0.55 0.00 0.00 66.41 65.56 1b9b h THR 546 Cb 0.59 0.00 -0.30 0.00 -1.73 0.00 0.00 68.15 66.71 1b9b h THR 546 CO -0.84 0.03 0.36 0.00 -0.25 0.00 0.00 175.52 174.81 1b9b n ALA 547 N -2.52 5.73 -0.06 6.62 0.00 -0.04 -4.65 120.51 125.59 1b9b n ALA 547 Ca 0.30 -3.44 -0.22 0.00 0.00 0.00 0.00 53.44 50.08 1b9b n ALA 547 Cb 0.97 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 1b9b n ALA 547 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b9b n LEU 548 N -0.92 2.23 -0.34 0.00 4.77 -0.66 -3.70 117.00 118.38 1b9b n LEU 548 Ca 0.55 0.31 0.03 0.00 -0.03 0.00 0.00 56.01 56.87 1b9b n LEU 548 Cb 0.90 -1.03 0.18 0.00 -2.33 0.00 0.00 43.42 41.15 1b9b n LEU 548 CO 0.62 0.56 1.22 -1.28 -1.33 0.00 0.00 177.39 177.18 1b9b h SER 549 N -0.51 0.91 0.73 -1.43 0.87 -1.83 0.84 113.55 113.14 1b9b h SER 549 Ca -0.41 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 1b9b h SER 549 Cb 1.65 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 63.46 1b9b h SER 549 CO -0.09 0.55 -0.35 -0.08 -0.53 0.00 0.00 176.83 176.33 1b9b h GLU 550 N 1.02 -0.95 -0.57 2.24 4.57 -1.89 -2.78 114.58 116.23 1b9b h GLU 550 Ca 0.43 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.78 1b9b h GLU 550 Cb 0.27 0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1b9b h GLU 550 CO -0.21 -0.63 0.39 0.28 -1.18 0.00 0.00 179.01 177.66 1b9b h VAL 551 N -1.26 0.86 -0.81 0.32 2.07 -1.60 -1.92 116.25 113.91 1b9b h VAL 551 Ca -0.10 -0.11 0.13 0.00 0.82 0.00 0.00 66.70 67.45 1b9b h VAL 551 Cb 0.75 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 1b9b h VAL 551 CO 0.16 0.06 0.40 1.23 0.02 0.00 0.00 177.57 179.44 1b9b h GLY 552 N 0.31 1.27 2.00 2.17 0.00 0.98 -1.59 103.07 108.21 1b9b h GLY 552 Ca 0.27 -0.23 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 1b9b h GLY 552 CO -0.06 -0.01 -0.65 0.83 0.00 0.00 0.00 176.54 176.65 1b9b h GLU 553 N 0.61 0.00 0.00 4.80 5.08 -1.15 -2.68 114.58 121.23 1b9b h GLU 553 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1b9b h GLU 553 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1b9b h GLU 553 CO -0.34 0.65 0.00 -0.89 -1.00 0.00 0.00 179.01 177.43 1b9b n ILE 554 N -3.31 0.70 0.05 3.13 5.41 -0.63 -2.85 119.36 121.85 1b9b n ILE 554 Ca 0.01 0.17 0.03 0.00 1.00 0.00 0.00 62.75 63.96 1b9b n ILE 554 Cb 0.77 -0.91 -0.04 0.00 -0.71 0.00 0.00 39.64 38.75 1b9b n ILE 554 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1b9b n LEU 555 N -1.37 0.05 -4.52 1.39 4.32 -1.02 -4.85 117.00 111.00 1b9b n LEU 555 Ca 0.06 -0.10 -0.33 0.00 -0.02 0.00 0.00 56.01 55.62 1b9b n LEU 555 Cb 0.15 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.83 1b9b n LEU 555 CO 0.13 0.01 2.03 -1.20 -1.22 0.00 0.00 177.39 177.15 1b9b n SER 556 N -1.59 0.79 0.00 -1.43 7.64 -1.02 0.65 113.62 118.66 1b9b n SER 556 Ca -0.01 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1b9b n SER 556 Cb 0.14 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1b9b n SER 556 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b9b n GLY 557 N 6.23 2.83 3.11 0.23 0.00 -1.26 -5.07 105.19 111.25 1b9b n GLY 557 Ca 0.55 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.33 1b9b n GLY 557 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b9b n ARG 558 N -1.37 -1.39 0.04 1.61 5.12 0.21 -5.03 116.66 115.85 1b9b n ARG 558 Ca 0.00 -1.64 -0.22 0.00 -1.93 0.00 0.00 57.85 54.06 1b9b n ARG 558 Cb 0.00 -1.17 -0.14 0.00 -1.16 0.00 0.00 32.46 29.99 1b9b n ARG 558 CO 0.00 0.00 0.00 -2.95 -1.93 0.00 0.00 177.63 172.75 1b9b h ASN 559 N -1.62 0.50 -3.96 0.55 -1.07 -1.90 -3.47 115.58 104.60 1b9b h ASN 559 Ca -0.35 -0.90 -0.54 0.00 0.07 0.00 0.00 56.30 54.58 1b9b h ASN 559 Cb 0.98 -0.16 0.11 0.00 -2.07 0.00 0.00 38.32 37.18 1b9b h ASN 559 CO 0.24 1.69 0.76 -0.63 0.07 0.00 0.00 177.43 179.57 1b9b s ILE 560 N -2.52 2.02 0.09 6.14 1.01 -1.26 -4.82 121.20 121.85 1b9b s ILE 560 Ca -0.18 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.53 1b9b s ILE 560 Cb 0.05 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1b9b s ILE 560 CO 0.81 0.00 0.08 -0.54 0.00 0.00 0.00 174.94 175.29 1b9b s LYS 561 N -2.24 2.85 0.05 2.79 1.02 -0.56 -4.94 119.74 118.71 1b9b s LYS 561 Ca 0.56 -0.72 -0.24 0.00 0.02 0.00 0.00 55.97 55.58 1b9b s LYS 561 Cb -0.46 -2.70 -0.06 0.00 -0.52 0.00 0.00 37.83 34.09 1b9b s LYS 561 CO 0.61 0.56 0.73 -1.17 -0.92 0.00 0.00 175.35 175.16 1b9b s LEU 562 N -2.45 4.47 -0.02 3.17 0.20 -1.26 -1.35 118.68 121.44 1b9b s LEU 562 Ca 0.29 1.42 -0.03 0.00 0.69 0.00 0.00 54.13 56.50 1b9b s LEU 562 Cb -0.12 -3.18 0.00 0.00 -0.43 0.00 0.00 46.19 42.46 1b9b s LEU 562 CO 0.22 0.06 0.07 -0.83 -0.29 0.00 0.00 176.35 175.58 1b9b s GLY 563 N -0.26 0.01 0.23 7.98 0.00 0.30 -0.49 107.32 115.08 1b9b s GLY 563 Ca 0.37 0.02 0.05 0.00 0.00 0.00 0.00 44.72 45.15 1b9b s GLY 563 CO 0.22 -0.04 0.33 0.00 0.00 0.00 0.00 173.10 173.61 1b9b s ALA 564 N -0.47 3.89 -2.59 3.20 0.00 0.53 -3.59 121.76 122.73 1b9b s ALA 564 Ca -0.05 -1.22 0.26 0.00 0.00 0.00 0.00 51.96 50.95 1b9b s ALA 564 Cb -0.03 -1.69 0.71 0.00 0.00 0.00 0.00 23.12 22.11 1b9b s ALA 564 CO 0.00 0.29 1.55 1.04 0.00 0.00 0.00 175.76 178.64 1b9b n GLN 565 N -1.24 1.80 0.00 0.00 6.02 -1.26 -1.15 117.38 121.55 1b9b n GLN 565 Ca -0.09 -1.24 0.00 0.00 -0.01 0.00 0.00 57.00 55.66 1b9b n GLN 565 Cb 0.57 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.35 1b9b n GLN 565 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1b9b n ASN 566 N 0.49 0.00 -3.53 1.08 5.15 -1.24 -4.62 115.26 112.58 1b9b n ASN 566 Ca 0.17 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.03 1b9b n ASN 566 Cb 0.44 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.65 1b9b n ASN 566 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1b9b s VAL 567 N -2.00 0.03 0.23 3.44 1.01 -1.26 -4.95 120.40 116.91 1b9b s VAL 567 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1b9b s VAL 567 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1b9b s VAL 567 CO 0.00 -0.15 0.29 0.12 0.00 0.00 0.00 175.10 175.37 1b9b s PHE 568 N -3.50 3.34 -1.49 5.22 5.36 -0.18 -4.96 117.98 121.76 1b9b s PHE 568 Ca 0.00 -0.04 0.29 0.00 -0.96 0.00 0.00 56.93 56.23 1b9b s PHE 568 Cb 0.00 -1.52 1.21 0.00 -0.34 0.00 0.00 43.02 42.37 1b9b s PHE 568 CO -0.10 0.47 1.86 2.48 -1.46 0.00 0.00 175.22 178.47 1b9b n TYR 569 N -1.22 0.00 -3.13 10.12 0.18 -1.26 -4.27 117.16 117.58 1b9b n TYR 569 Ca -0.08 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.50 1b9b n TYR 569 Cb 0.57 -0.24 0.01 0.00 -0.38 0.00 0.00 39.34 39.30 1b9b n TYR 569 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1b9b s GLU 570 N -2.59 2.95 -0.01 -3.48 0.41 -1.26 -4.81 118.70 109.92 1b9b s GLU 570 Ca 0.26 -0.92 0.10 0.00 -0.41 0.00 0.00 54.97 54.01 1b9b s GLU 570 Cb 0.20 -2.70 -0.23 0.00 -1.78 0.00 0.00 34.13 29.62 1b9b s GLU 570 CO 0.50 -0.21 0.80 -0.44 -0.49 0.00 0.00 175.26 175.42 1b9b h ASP 571 N 0.60 0.02 -4.25 -0.19 5.19 -1.98 -3.35 116.42 112.47 1b9b h ASP 571 Ca -0.44 -0.04 0.26 0.00 -0.62 0.00 0.00 57.03 56.19 1b9b h ASP 571 Cb 1.27 -0.01 -0.19 0.00 0.18 0.00 0.00 39.33 40.58 1b9b h ASP 571 CO 0.52 1.03 0.82 0.00 -3.12 0.00 0.00 179.24 178.49 1b9b s GLN 572 N -2.62 0.29 0.00 3.56 -2.07 -1.26 -4.69 119.66 112.86 1b9b s GLN 572 Ca -0.04 -0.11 0.00 0.00 -1.82 0.00 0.00 55.36 53.39 1b9b s GLN 572 Cb 0.08 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1b9b s GLN 572 CO 0.82 -0.13 0.00 0.41 -1.32 0.00 0.00 175.29 175.08 1b9b n GLY 573 N -0.09 -0.70 3.50 2.60 0.00 -1.26 -5.01 105.19 104.23 1b9b n GLY 573 Ca 0.01 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 1b9b n GLY 573 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b9b n ALA 574 N -0.41 3.24 -3.23 4.61 0.00 -1.26 -4.71 120.51 118.75 1b9b n ALA 574 Ca 0.00 -3.62 -0.22 0.00 0.00 0.00 0.00 53.44 49.60 1b9b n ALA 574 Cb 0.00 -3.57 -0.07 0.00 0.00 0.00 0.00 19.45 15.81 1b9b n ALA 574 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1b9b n PHE 575 N 9.76 -1.27 -1.64 0.00 3.72 -1.26 -5.12 117.46 121.63 1b9b n PHE 575 Ca 0.48 -3.05 -0.47 0.00 -0.05 0.00 0.00 57.45 54.36 1b9b n PHE 575 Cb 0.45 0.33 -0.04 0.00 -0.94 0.00 0.00 39.48 39.28 1b9b n PHE 575 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1b9b n THR 576 N 2.42 0.31 -0.48 4.37 -1.04 -1.26 -2.17 114.28 116.43 1b9b n THR 576 Ca 0.25 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1b9b n THR 576 Cb 0.51 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 1b9b n THR 576 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1b9b n GLY 577 N 2.79 1.40 3.93 3.41 0.00 -1.26 -5.04 105.19 110.41 1b9b n GLY 577 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1b9b n GLY 577 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b9b s GLU 578 N -0.24 3.45 -0.10 1.61 0.41 -0.92 -5.11 118.70 117.79 1b9b s GLU 578 Ca 0.00 -0.47 -0.02 0.00 -0.41 0.00 0.00 54.97 54.07 1b9b s GLU 578 Cb 0.00 -3.00 -0.03 0.00 -1.78 0.00 0.00 34.13 29.32 1b9b s GLU 578 CO 0.00 0.57 -0.02 0.42 -0.49 0.00 0.00 175.26 175.74 1b9b s ILE 579 N -1.60 4.14 0.27 -1.63 -1.09 -1.26 -5.01 121.20 115.02 1b9b s ILE 579 Ca 0.35 -0.30 0.05 0.00 -2.23 0.00 0.00 60.65 58.53 1b9b s ILE 579 Cb -0.12 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.98 1b9b s ILE 579 CO 0.28 0.57 0.40 -0.94 -1.23 0.00 0.00 174.94 174.02 1b9b s SER 580 N -0.52 6.21 0.42 3.58 1.04 -1.26 -1.01 113.70 122.17 1b9b s SER 580 Ca 0.09 -0.00 0.08 0.00 0.48 0.00 0.00 55.95 56.60 1b9b s SER 580 Cb -0.12 -1.67 0.90 0.00 0.10 0.00 0.00 66.02 65.23 1b9b s SER 580 CO 0.02 -0.18 2.07 -0.65 0.98 0.00 0.00 173.24 175.48 1b9b h PRO 581 N 1.08 0.48 -0.34 4.02 0.11 -1.74 -1.78 132.00 133.83 1b9b h PRO 581 Ca -0.50 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 1b9b h PRO 581 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1b9b h PRO 581 CO 0.58 0.32 -0.27 -0.07 -0.21 0.00 0.00 178.00 178.36 1b9b h LEU 582 N 0.50 0.71 -1.07 2.35 4.07 -1.88 0.39 115.31 120.38 1b9b h LEU 582 Ca 0.13 -0.27 -0.06 0.00 0.08 0.00 0.00 57.88 57.76 1b9b h LEU 582 Cb -0.06 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 1b9b h LEU 582 CO -0.03 0.95 -0.04 0.24 -1.08 0.00 0.00 178.44 178.48 1b9b h MET 583 N 0.60 0.62 0.09 1.13 2.86 -1.66 -2.15 114.93 116.41 1b9b h MET 583 Ca 0.08 -0.16 -0.28 0.00 -2.06 0.00 0.00 59.70 57.28 1b9b h MET 583 Cb 0.77 -0.08 0.02 0.00 0.06 0.00 0.00 31.60 32.37 1b9b h MET 583 CO 0.06 0.67 -1.17 -0.07 1.06 0.00 0.00 176.91 177.46 1b9b h LEU 584 N 0.58 0.76 -1.25 1.22 3.38 -1.23 -3.29 115.31 115.48 1b9b h LEU 584 Ca 0.12 -0.68 -0.05 0.00 0.09 0.00 0.00 57.88 57.35 1b9b h LEU 584 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1b9b h LEU 584 CO 0.02 1.50 -0.07 -0.61 0.09 0.00 0.00 178.44 179.37 1b9b h GLN 585 N 0.25 0.43 0.15 1.13 4.15 -0.72 -1.98 115.11 118.53 1b9b h GLN 585 Ca -0.16 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 1b9b h GLN 585 Cb 1.84 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.47 1b9b h GLN 585 CO 0.22 0.51 -0.07 1.49 -1.93 0.00 0.00 178.83 179.04 1b9b h GLU 586 N 0.41 -0.20 0.00 1.69 4.81 -1.47 -2.56 114.58 117.26 1b9b h GLU 586 Ca 0.08 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1b9b h GLU 586 Cb 0.38 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1b9b h GLU 586 CO 0.02 -0.02 0.00 -0.89 -0.73 0.00 0.00 179.01 177.39 1b9b n ILE 587 N -5.12 1.01 -1.38 2.32 5.41 -1.14 -4.85 119.36 115.62 1b9b n ILE 587 Ca -0.09 0.66 0.00 0.00 1.00 0.00 0.00 62.75 64.32 1b9b n ILE 587 Cb 0.16 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 1b9b n ILE 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b9b n GLY 588 N -1.10 1.00 3.76 7.39 0.00 -0.97 -4.86 105.19 110.41 1b9b n GLY 588 Ca -0.01 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1b9b n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b9b s VAL 589 N -2.45 4.25 -0.07 1.61 1.01 -0.77 -4.55 120.40 119.43 1b9b s VAL 589 Ca 0.00 1.91 0.07 0.00 0.00 0.00 0.00 61.98 63.96 1b9b s VAL 589 Cb 0.00 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 1b9b s VAL 589 CO 0.00 0.49 0.04 -0.62 0.00 0.00 0.00 175.10 175.02 1b9b n GLU 590 N 1.67 2.45 -4.60 2.72 1.02 0.36 -4.71 120.64 119.56 1b9b n GLU 590 Ca -0.03 -0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 1b9b n GLU 590 Cb 0.48 -1.19 -0.14 0.00 -0.02 0.00 0.00 31.44 30.57 1b9b n GLU 590 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1b9b s TYR 591 N -2.23 2.06 -0.06 -0.32 1.51 -0.95 -0.05 117.35 117.30 1b9b s TYR 591 Ca -0.04 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1b9b s TYR 591 Cb 0.03 -1.18 0.03 0.00 -0.11 0.00 0.00 41.96 40.72 1b9b s TYR 591 CO 0.31 0.17 0.02 0.08 -1.11 0.00 0.00 175.55 175.03 1b9b s VAL 592 N -0.92 0.20 0.18 0.71 1.01 -0.43 -0.34 120.40 120.80 1b9b s VAL 592 Ca 0.10 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 1b9b s VAL 592 Cb -0.10 -0.40 -0.08 0.00 0.00 0.00 0.00 36.38 35.81 1b9b s VAL 592 CO 0.03 0.22 1.20 -0.63 0.00 0.00 0.00 175.10 175.93 1b9b s ILE 593 N 2.04 3.56 -0.02 2.22 1.01 -0.30 -1.39 121.20 128.32 1b9b s ILE 593 Ca 0.05 1.31 0.01 0.00 0.00 0.00 0.00 60.65 62.02 1b9b s ILE 593 Cb -0.12 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.52 1b9b s ILE 593 CO -0.04 0.21 -0.04 -0.69 0.00 0.00 0.00 174.94 174.37 1b9b s VAL 594 N -0.02 0.38 -0.29 2.92 1.01 -0.03 -3.69 120.40 120.68 1b9b s VAL 594 Ca 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1b9b s VAL 594 Cb -0.33 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1b9b s VAL 594 CO 0.36 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1b9b n GLY 595 N 3.51 0.29 3.77 4.51 0.00 -1.26 -1.74 105.19 114.26 1b9b n GLY 595 Ca -0.20 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 1b9b n GLY 595 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1b9b s HIS 596 N -2.16 2.74 0.25 1.61 5.04 -1.26 -4.18 115.29 117.33 1b9b s HIS 596 Ca 0.00 1.42 -0.07 0.00 -1.54 0.00 0.00 55.06 54.86 1b9b s HIS 596 Cb 0.00 -3.65 0.43 0.00 0.04 0.00 0.00 32.58 29.40 1b9b s HIS 596 CO 0.00 -2.14 1.62 0.77 -2.34 0.00 0.00 174.74 172.65 1b9b h SER 597 N 2.41 -0.46 -0.76 9.88 0.02 -1.94 0.11 113.55 122.81 1b9b h SER 597 Ca -0.50 0.21 0.08 0.00 -0.84 0.00 0.00 61.79 60.75 1b9b h SER 597 Cb 1.25 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 64.12 1b9b h SER 597 CO 0.61 -0.22 0.42 -0.33 -1.14 0.00 0.00 176.83 176.18 1b9b h GLU 598 N 0.07 0.71 -0.31 3.45 5.08 -1.98 0.54 114.58 122.13 1b9b h GLU 598 Ca 0.42 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.61 1b9b h GLU 598 Cb 0.72 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1b9b h GLU 598 CO -0.72 0.47 -0.30 0.00 -1.00 0.00 0.00 179.01 177.45 1b9b h ARG 599 N 0.73 0.76 -0.06 2.33 3.08 -1.22 0.14 114.38 120.12 1b9b h ARG 599 Ca 0.36 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1b9b h ARG 599 Cb 0.30 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1b9b h ARG 599 CO -0.23 1.02 0.02 0.00 -1.07 0.00 0.00 179.97 179.71 1b9b h ARG 600 N 0.52 0.09 0.27 0.04 3.08 -0.31 -2.06 114.38 116.01 1b9b h ARG 600 Ca 0.05 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1b9b h ARG 600 Cb 0.88 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1b9b h ARG 600 CO 0.08 0.27 -0.13 0.00 -1.07 0.00 0.00 179.97 179.12 1b9b h ARG 601 N -0.10 -0.35 -0.31 0.04 2.47 0.03 -3.20 114.38 112.96 1b9b h ARG 601 Ca 0.02 0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 58.60 1b9b h ARG 601 Cb 0.22 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1b9b h ARG 601 CO -0.00 -0.23 -0.45 0.82 0.56 0.00 0.00 179.97 180.67 1b9b h ILE 602 N -0.92 1.28 -0.69 2.04 2.04 -0.88 -3.32 117.51 117.07 1b9b h ILE 602 Ca -0.04 -1.63 -0.34 0.00 1.00 0.00 0.00 64.86 63.85 1b9b h ILE 602 Cb 0.28 1.58 -0.20 0.00 -0.74 0.00 0.00 36.82 37.73 1b9b h ILE 602 CO 0.06 0.53 0.30 0.49 0.00 0.00 0.00 178.15 179.54 1b9b n PHE 603 N -4.08 2.15 -3.78 1.37 3.72 -0.81 -4.97 117.46 111.06 1b9b n PHE 603 Ca -0.04 -1.67 -0.25 0.00 -0.05 0.00 0.00 57.45 55.44 1b9b n PHE 603 Cb 0.58 -0.72 -0.07 0.00 -0.94 0.00 0.00 39.48 38.32 1b9b n PHE 603 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1b9b n LYS 604 N -1.04 -0.90 -2.90 -1.08 4.01 -1.16 -4.87 118.16 110.22 1b9b n LYS 604 Ca 0.46 0.08 -0.42 0.00 -0.51 0.00 0.00 58.31 57.92 1b9b n LYS 604 Cb 1.37 -2.86 -0.04 0.00 -0.51 0.00 0.00 35.03 32.98 1b9b n LYS 604 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1b9b s GLU 605 N -5.94 3.93 0.60 1.97 2.12 -1.00 -5.01 118.70 115.36 1b9b s GLU 605 Ca 0.21 0.60 0.00 0.00 0.36 0.00 0.00 54.97 56.14 1b9b s GLU 605 Cb -0.12 -3.75 0.06 0.00 0.26 0.00 0.00 34.13 30.58 1b9b s GLU 605 CO 0.73 -0.76 0.84 0.16 -0.54 0.00 0.00 175.26 175.69 1b9b s ASP 606 N 1.69 5.01 0.14 -1.70 1.47 -1.26 -4.38 116.67 117.63 1b9b s ASP 606 Ca 0.34 -0.09 -0.20 0.00 1.18 0.00 0.00 52.55 53.78 1b9b s ASP 606 Cb -0.13 -0.65 -0.00 0.00 -0.34 0.00 0.00 42.92 41.79 1b9b s ASP 606 CO 0.14 -1.35 1.68 0.44 0.68 0.00 0.00 175.17 176.76 1b9b h ASP 607 N -0.12 -0.33 -0.29 2.11 3.32 -1.98 0.37 116.42 119.50 1b9b h ASP 607 Ca -0.41 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1b9b h ASP 607 Cb 1.29 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 41.01 1b9b h ASP 607 CO 0.50 -0.13 0.13 -0.08 -1.72 0.00 0.00 179.24 177.94 1b9b h GLU 608 N -0.07 0.47 -0.19 3.56 4.81 -1.96 0.35 114.58 121.55 1b9b h GLU 608 Ca 0.11 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1b9b h GLU 608 Cb 0.24 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1b9b h GLU 608 CO -0.26 0.40 -0.04 0.35 -0.73 0.00 0.00 179.01 178.72 1b9b h PHE 609 N 0.48 0.42 -0.35 0.92 3.04 -1.80 -2.82 116.94 116.83 1b9b h PHE 609 Ca 0.12 -0.09 -0.10 0.00 3.98 0.00 0.00 57.97 61.88 1b9b h PHE 609 Cb 0.10 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1b9b h PHE 609 CO 0.00 0.62 -0.18 0.82 -2.02 0.00 0.00 178.31 177.55 1b9b h ILE 610 N 0.09 1.26 -0.83 1.41 2.04 0.01 -2.81 117.51 118.67 1b9b h ILE 610 Ca 0.05 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1b9b h ILE 610 Cb 0.49 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1b9b h ILE 610 CO 0.02 0.40 0.49 -1.13 0.00 0.00 0.00 178.15 177.93 1b9b h ASN 611 N 0.58 1.01 -0.43 1.72 -0.73 -0.30 -1.26 115.58 116.17 1b9b h ASN 611 Ca 0.09 -0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.11 1b9b h ASN 611 Cb 0.64 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.95 1b9b h ASN 611 CO 0.05 0.79 -0.00 0.03 -0.37 0.00 0.00 177.43 177.92 1b9b h ARG 612 N 1.15 0.83 -0.14 6.67 3.08 -1.32 -2.07 114.38 122.57 1b9b h ARG 612 Ca 0.30 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1b9b h ARG 612 Cb -0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1b9b h ARG 612 CO -0.05 0.83 -0.37 0.87 -1.07 0.00 0.00 179.97 180.18 1b9b h LYS 613 N 0.77 0.30 -0.05 0.04 1.57 -1.18 -0.69 116.57 117.33 1b9b h LYS 613 Ca 0.15 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1b9b h LYS 613 Cb 0.47 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1b9b h LYS 613 CO 0.02 0.63 0.01 0.28 -0.57 0.00 0.00 179.45 179.82 1b9b h VAL 614 N 0.25 1.22 -0.47 0.50 2.07 -0.78 -0.38 116.25 118.66 1b9b h VAL 614 Ca 0.03 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1b9b h VAL 614 Cb 0.77 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1b9b h VAL 614 CO 0.06 0.19 0.23 0.11 0.02 0.00 0.00 177.57 178.18 1b9b h LYS 615 N -0.17 0.67 -0.08 1.57 1.57 -1.31 -2.13 116.57 116.69 1b9b h LYS 615 Ca 0.02 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1b9b h LYS 615 Cb 0.29 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1b9b h LYS 615 CO 0.00 0.56 -0.14 0.00 -0.57 0.00 0.00 179.45 179.30 1b9b h ALA 616 N 1.08 -0.10 -0.75 3.86 0.00 -1.02 0.06 119.26 122.40 1b9b h ALA 616 Ca 0.16 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1b9b h ALA 616 Cb 0.10 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1b9b h ALA 616 CO -0.02 -0.61 0.45 0.28 0.00 0.00 0.00 179.25 179.35 1b9b h VAL 617 N -0.20 1.02 -0.75 0.00 2.07 -0.89 -2.24 116.25 115.27 1b9b h VAL 617 Ca 0.08 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1b9b h VAL 617 Cb 0.30 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1b9b h VAL 617 CO -0.20 0.15 0.28 -0.07 0.02 0.00 0.00 177.57 177.76 1b9b h LEU 618 N 0.83 1.04 -1.00 2.57 3.38 -0.70 -2.09 115.31 119.33 1b9b h LEU 618 Ca 0.33 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.25 1b9b h LEU 618 Cb 0.15 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 1b9b h LEU 618 CO -0.16 0.93 0.63 -0.33 0.09 0.00 0.00 178.44 179.60 1b9b h GLU 619 N 1.09 0.96 -0.22 1.13 4.39 -0.37 -0.93 114.58 120.64 1b9b h GLU 619 Ca 0.25 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1b9b h GLU 619 Cb 0.23 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1b9b h GLU 619 CO -0.02 0.64 0.00 1.63 -1.16 0.00 0.00 179.01 180.10 1b9b n LYS 620 N -4.62 1.44 -2.20 2.33 4.76 -1.13 -4.89 118.16 113.86 1b9b n LYS 620 Ca 0.19 -0.65 -0.07 0.00 -2.87 0.00 0.00 58.31 54.91 1b9b n LYS 620 Cb 0.35 -1.17 -0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1b9b n LYS 620 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b9b n GLY 621 N 0.75 0.13 3.76 0.72 0.00 -0.35 -5.04 105.19 105.15 1b9b n GLY 621 Ca 0.06 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1b9b n GLY 621 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b9b s MET 622 N -4.44 2.29 -0.27 1.61 -1.94 -0.80 -5.03 119.30 110.71 1b9b s MET 622 Ca 0.02 -1.76 -0.09 0.00 -1.71 0.00 0.00 55.69 52.15 1b9b s MET 622 Cb -0.01 -2.06 -0.03 0.00 2.01 0.00 0.00 34.83 34.74 1b9b s MET 622 CO 0.02 -0.10 0.11 0.99 -0.01 0.00 0.00 175.02 176.03 1b9b s THR 623 N -2.56 4.56 0.42 2.05 2.01 0.93 -4.06 115.64 118.98 1b9b s THR 623 Ca 0.42 -0.18 -0.22 0.00 0.31 0.00 0.00 61.69 62.01 1b9b s THR 623 Cb 0.02 -3.19 -0.10 0.00 0.01 0.00 0.00 72.50 69.23 1b9b s THR 623 CO 0.23 0.25 0.97 -2.84 -0.69 0.00 0.00 174.62 172.55 1b9b s PRO 624 N 1.64 4.20 -0.41 4.92 0.02 -1.26 -1.31 135.00 142.79 1b9b s PRO 624 Ca 0.06 1.23 0.02 0.00 0.02 0.00 0.00 61.00 62.33 1b9b s PRO 624 Cb -0.16 -2.29 0.13 0.00 0.02 0.00 0.00 34.50 32.20 1b9b s PRO 624 CO 0.06 -0.06 0.20 0.42 -0.33 0.00 0.00 177.00 177.28 1b9b s ILE 625 N -2.01 1.43 -0.12 2.83 1.01 -0.49 -2.15 121.20 121.69 1b9b s ILE 625 Ca 0.61 -2.37 -0.29 0.00 0.00 0.00 0.00 60.65 58.59 1b9b s ILE 625 Cb -0.13 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1b9b s ILE 625 CO 0.17 -0.83 1.12 -0.22 0.00 0.00 0.00 174.94 175.18 1b9b s LEU 626 N 0.58 4.22 -0.13 2.97 2.96 -0.21 -0.85 118.68 128.21 1b9b s LEU 626 Ca 0.16 1.62 -0.10 0.00 -0.22 0.00 0.00 54.13 55.59 1b9b s LEU 626 Cb -0.23 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 1b9b s LEU 626 CO -0.05 -0.59 0.19 0.00 -1.32 0.00 0.00 176.35 174.59 1b9b s VAL 628 N -0.45 0.54 0.00 0.00 -7.23 -0.78 -4.71 120.40 107.77 1b9b s VAL 628 Ca 0.14 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1b9b s VAL 628 Cb -0.12 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1b9b s VAL 628 CO 0.03 -0.72 0.00 0.61 -0.31 0.00 0.00 175.10 174.71 1b9b n GLY 629 N 0.54 2.31 3.98 2.32 0.00 -1.26 -0.07 105.19 113.01 1b9b n GLY 629 Ca -0.16 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 1b9b n GLY 629 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1b9b s GLU 630 N -1.92 2.20 0.31 1.61 1.03 -1.26 -4.67 118.70 115.99 1b9b s GLU 630 Ca 0.00 -0.96 0.07 0.00 0.03 0.00 0.00 54.97 54.11 1b9b s GLU 630 Cb 0.00 -2.44 -0.03 0.00 -0.80 0.00 0.00 34.13 30.86 1b9b s GLU 630 CO 0.00 -1.00 0.28 0.99 -1.33 0.00 0.00 175.26 174.19 1b9b s THR 631 N -2.90 3.81 0.11 1.83 2.01 -1.26 -1.24 115.64 117.99 1b9b s THR 631 Ca 0.61 -1.36 -0.25 0.00 0.31 0.00 0.00 61.69 61.00 1b9b s THR 631 Cb -0.08 -3.26 -0.09 0.00 0.01 0.00 0.00 72.50 69.09 1b9b s THR 631 CO 0.41 -0.22 1.67 0.25 -0.69 0.00 0.00 174.62 176.04 1b9b h LEU 632 N 1.30 -0.47 -0.94 4.42 5.85 -1.95 0.99 115.31 124.50 1b9b h LEU 632 Ca -0.46 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.41 1b9b h LEU 632 Cb 1.25 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.39 1b9b h LEU 632 CO 0.59 -0.24 0.58 -0.33 -0.34 0.00 0.00 178.44 178.70 1b9b h GLU 633 N -0.31 0.95 -0.43 1.25 3.07 -1.98 0.21 114.58 117.34 1b9b h GLU 633 Ca 0.03 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1b9b h GLU 633 Cb 0.35 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1b9b h GLU 633 CO -0.11 0.63 0.19 0.93 -1.40 0.00 0.00 179.01 179.24 1b9b h GLU 634 N 0.98 0.64 -0.04 2.33 5.08 -1.69 -1.81 114.58 120.07 1b9b h GLU 634 Ca 0.44 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.61 1b9b h GLU 634 Cb 0.34 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1b9b h GLU 634 CO -0.23 0.57 -0.35 -0.09 -1.00 0.00 0.00 179.01 177.92 1b9b h ARG 635 N 0.55 0.07 0.00 2.33 2.43 0.00 0.58 114.38 120.35 1b9b h ARG 635 Ca 0.15 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1b9b h ARG 635 Cb 0.16 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1b9b h ARG 635 CO -0.01 0.42 -0.09 0.93 -1.51 0.00 0.00 179.97 179.70 1b9b h GLU 636 N 0.06 0.00 -0.06 0.20 5.08 -0.41 -2.40 114.58 117.06 1b9b h GLU 636 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1b9b h GLU 636 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1b9b h GLU 636 CO 0.05 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.78 1b9b n LYS 637 N -3.20 2.14 -1.04 2.33 5.02 -0.74 -4.93 118.16 117.75 1b9b n LYS 637 Ca 0.01 -1.67 -0.01 0.00 -2.02 0.00 0.00 58.31 54.62 1b9b n LYS 637 Cb 0.39 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 1b9b n LYS 637 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b9b n GLY 638 N 1.31 0.49 0.66 0.72 0.00 -0.90 -4.93 105.19 102.54 1b9b n GLY 638 Ca 0.16 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 45.23 1b9b n GLY 638 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b9b n LEU 639 N -0.16 1.93 0.10 0.99 4.77 0.15 -4.46 117.00 120.31 1b9b n LEU 639 Ca -0.01 -0.96 -0.14 0.00 -0.03 0.00 0.00 56.01 54.87 1b9b n LEU 639 Cb 0.05 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1b9b n LEU 639 CO 0.02 0.48 0.61 0.74 -1.33 0.00 0.00 177.39 177.91 1b9b h THR 640 N 2.12 0.21 -0.52 -5.08 2.02 -1.85 -0.20 112.91 109.60 1b9b h THR 640 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1b9b h THR 640 Cb 0.48 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1b9b h THR 640 CO 0.00 0.00 0.21 -0.26 0.37 0.00 0.00 175.52 175.84 1b9b h PHE 641 N -0.60 0.75 0.00 3.16 -1.00 -1.96 -1.00 116.94 116.30 1b9b h PHE 641 Ca 0.03 -0.04 -0.15 0.00 2.81 0.00 0.00 57.97 60.63 1b9b h PHE 641 Cb 0.64 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 1b9b h PHE 641 CO -0.36 0.59 -0.70 0.00 -1.61 0.00 0.00 178.31 176.23 1b9b h VAL 643 N 0.00 1.36 -0.37 0.00 2.07 -0.65 -1.19 116.25 117.48 1b9b h VAL 643 Ca -0.01 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 1b9b h VAL 643 Cb 1.49 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1b9b h VAL 643 CO 0.09 0.38 0.07 0.58 0.02 0.00 0.00 177.57 178.71 1b9b h VAL 644 N -0.11 1.23 -0.38 2.57 2.07 -1.19 -2.46 116.25 117.99 1b9b h VAL 644 Ca 0.02 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1b9b h VAL 644 Cb 0.67 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1b9b h VAL 644 CO 0.03 0.28 0.25 -0.08 0.02 0.00 0.00 177.57 178.07 1b9b h GLU 645 N 0.45 0.50 -0.46 1.57 4.81 -0.97 0.30 114.58 120.78 1b9b h GLU 645 Ca 0.11 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1b9b h GLU 645 Cb 0.34 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1b9b h GLU 645 CO 0.00 0.33 0.17 -0.22 -0.73 0.00 0.00 179.01 178.56 1b9b h LYS 646 N 0.51 0.33 -0.19 1.92 3.64 -1.14 0.17 116.57 121.80 1b9b h LYS 646 Ca 0.14 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1b9b h LYS 646 Cb -0.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1b9b h LYS 646 CO -0.03 0.22 -0.23 1.96 -2.27 0.00 0.00 179.45 179.09 1b9b h GLN 647 N 0.34 0.35 -0.00 1.90 4.20 -0.98 0.35 115.11 121.27 1b9b h GLN 647 Ca 0.22 -0.12 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 1b9b h GLN 647 Cb 0.21 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1b9b h GLN 647 CO -0.22 0.57 -0.59 0.28 -0.67 0.00 0.00 178.83 178.20 1b9b h VAL 648 N 0.32 1.43 -0.28 -0.54 2.07 -0.30 -1.54 116.25 117.40 1b9b h VAL 648 Ca 0.05 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.49 1b9b h VAL 648 Cb 0.59 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1b9b h VAL 648 CO 0.04 0.60 0.15 0.03 0.02 0.00 0.00 177.57 178.41 1b9b h ARG 649 N -0.11 0.39 0.64 1.57 3.08 -0.61 -0.69 114.38 118.65 1b9b h ARG 649 Ca -0.07 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1b9b h ARG 649 Cb 1.31 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1b9b h ARG 649 CO 0.12 0.35 -0.33 0.93 -1.07 0.00 0.00 179.97 179.96 1b9b h GLU 650 N 0.33 -0.86 -0.90 0.04 4.39 -0.99 -0.26 114.58 116.34 1b9b h GLU 650 Ca 0.10 0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.97 1b9b h GLU 650 Cb 0.07 0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 28.84 1b9b h GLU 650 CO -0.02 -0.57 0.53 0.78 -1.16 0.00 0.00 179.01 178.58 1b9b h GLY 651 N -0.89 1.44 1.71 -3.84 0.00 -1.18 -2.49 103.07 97.82 1b9b h GLY 651 Ca -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1b9b h GLY 651 CO 0.12 0.12 -0.27 0.74 0.00 0.00 0.00 176.54 177.26 1b9b h PHE 652 N 0.85 0.00 -1.27 5.60 -1.00 -1.06 -3.44 116.94 116.63 1b9b h PHE 652 Ca 0.44 0.00 -0.77 0.00 2.81 0.00 0.00 57.97 60.45 1b9b h PHE 652 Cb 0.45 0.00 0.04 0.00 3.61 0.00 0.00 35.95 40.04 1b9b h PHE 652 CO -0.04 0.00 0.43 0.98 -1.61 0.00 0.00 178.31 178.06 1b9b n TYR 653 N -2.76 1.32 0.00 -0.55 9.36 -0.11 -0.39 117.16 124.03 1b9b n TYR 653 Ca 0.03 0.88 0.00 0.00 3.32 0.00 0.00 57.90 62.14 1b9b n TYR 653 Cb 0.51 -2.24 0.00 0.00 -0.63 0.00 0.00 39.34 36.97 1b9b n TYR 653 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1b9b n GLY 654 N 2.71 3.16 3.86 2.98 0.00 -1.26 -5.04 105.19 111.60 1b9b n GLY 654 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1b9b n GLY 654 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b9b s LEU 655 N 0.00 3.02 0.38 0.99 1.43 0.47 -5.08 118.68 119.89 1b9b s LEU 655 Ca 0.00 1.32 0.05 0.00 -1.03 0.00 0.00 54.13 54.47 1b9b s LEU 655 Cb 0.00 -4.20 -0.07 0.00 0.03 0.00 0.00 46.19 41.95 1b9b s LEU 655 CO 0.00 -1.24 0.03 1.51 0.23 0.00 0.00 176.35 176.88 1b9b s ASP 656 N -4.17 3.23 0.18 2.29 1.47 -1.26 -4.90 116.67 113.50 1b9b s ASP 656 Ca 0.57 -1.39 -0.10 0.00 1.18 0.00 0.00 52.55 52.81 1b9b s ASP 656 Cb -0.12 -0.21 0.23 0.00 -0.34 0.00 0.00 42.92 42.49 1b9b s ASP 656 CO 0.53 -0.55 1.13 1.17 0.68 0.00 0.00 175.17 178.14 1b9b n LYS 657 N -0.86 -0.13 0.42 2.11 4.81 -1.26 0.11 118.16 123.35 1b9b n LYS 657 Ca -0.04 1.13 -0.19 0.00 -0.87 0.00 0.00 58.31 58.34 1b9b n LYS 657 Cb 0.67 -1.68 -0.09 0.00 0.02 0.00 0.00 35.03 33.95 1b9b n LYS 657 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1b9b h GLU 658 N 0.00 -1.01 -0.63 1.64 3.07 -2.01 -2.77 114.58 112.87 1b9b h GLU 658 Ca 0.29 0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.19 1b9b h GLU 658 Cb 0.47 0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.58 1b9b h GLU 658 CO -0.73 -0.67 0.27 0.93 -1.40 0.00 0.00 179.01 177.41 1b9b h GLU 659 N -1.07 0.91 -0.93 2.33 5.08 -1.61 -2.85 114.58 116.44 1b9b h GLU 659 Ca -0.11 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1b9b h GLU 659 Cb 0.81 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 1b9b h GLU 659 CO 0.18 0.73 0.61 0.00 -1.00 0.00 0.00 179.01 179.52 1b9b h ALA 660 N 1.40 1.48 -0.31 3.43 0.00 -0.29 -2.03 119.26 122.94 1b9b h ALA 660 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1b9b h ALA 660 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1b9b h ALA 660 CO -0.02 0.39 0.06 0.87 0.00 0.00 0.00 179.25 180.54 1b9b h LYS 661 N 1.08 0.45 0.00 0.00 1.57 -1.24 -2.51 116.57 115.92 1b9b h LYS 661 Ca 0.40 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1b9b h LYS 661 Cb 0.18 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1b9b h LYS 661 CO -0.15 0.44 -0.06 0.00 -0.57 0.00 0.00 179.45 179.11 1b9b h ARG 662 N 0.45 0.00 -7.16 3.15 3.08 -1.44 -3.39 114.38 109.07 1b9b h ARG 662 Ca 0.11 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.65 1b9b h ARG 662 Cb 0.20 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.35 1b9b h ARG 662 CO -0.00 0.06 0.40 0.08 -1.07 0.00 0.00 179.97 179.44 1b9b s VAL 663 N -3.56 3.13 -0.08 2.04 1.01 -0.95 -4.56 120.40 117.43 1b9b s VAL 663 Ca 0.02 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1b9b s VAL 663 Cb 0.08 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1b9b s VAL 663 CO 0.59 -0.26 -0.10 -0.69 0.00 0.00 0.00 175.10 174.64 1b9b s VAL 664 N -2.10 1.04 0.15 2.92 1.01 -0.91 -4.25 120.40 118.27 1b9b s VAL 664 Ca 0.70 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1b9b s VAL 664 Cb -0.23 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1b9b s VAL 664 CO 0.37 0.35 0.28 -0.63 0.00 0.00 0.00 175.10 175.46 1b9b s ILE 665 N 1.10 5.27 -0.17 2.22 1.01 -0.35 -1.05 121.20 129.23 1b9b s ILE 665 Ca -0.07 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 1b9b s ILE 665 Cb -0.14 -3.72 0.07 0.00 0.01 0.00 0.00 42.46 38.68 1b9b s ILE 665 CO -0.01 -0.10 0.14 0.00 0.00 0.00 0.00 174.94 174.96 1b9b s ALA 666 N -1.75 0.15 -0.34 9.38 0.00 0.13 -1.00 121.76 128.33 1b9b s ALA 666 Ca 0.34 -0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.99 1b9b s ALA 666 Cb -0.11 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.93 1b9b s ALA 666 CO 0.28 -1.11 0.96 -0.47 0.00 0.00 0.00 175.76 175.42 1b9b s TYR 667 N 2.21 3.12 -0.51 0.00 5.04 0.26 -1.87 117.35 125.60 1b9b s TYR 667 Ca 0.04 0.94 0.03 0.00 -2.44 0.00 0.00 57.07 55.64 1b9b s TYR 667 Cb -0.15 -3.61 0.15 0.00 0.35 0.00 0.00 41.96 38.69 1b9b s TYR 667 CO -0.10 -0.77 0.32 -2.00 -1.34 0.00 0.00 175.55 171.66 1b9b s GLU 668 N 3.48 1.59 -0.16 4.97 2.12 0.90 -1.00 118.70 130.59 1b9b s GLU 668 Ca 0.40 -2.42 -0.35 0.00 0.36 0.00 0.00 54.97 52.96 1b9b s GLU 668 Cb -0.12 -2.56 -0.12 0.00 0.26 0.00 0.00 34.13 31.59 1b9b s GLU 668 CO 0.17 -1.22 1.91 -0.35 -0.54 0.00 0.00 175.26 175.22 1b9b n PRO 669 N 2.99 1.85 -0.20 4.30 -0.04 -1.26 -4.32 135.00 138.32 1b9b n PRO 669 Ca 0.15 0.66 0.09 0.00 -0.04 0.00 0.00 63.50 64.35 1b9b n PRO 669 Cb 0.37 -2.55 0.38 0.00 -0.04 0.00 0.00 33.50 31.66 1b9b n PRO 669 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1b9b h VAL 670 N 5.69 0.95 0.00 0.52 2.07 -1.45 -0.53 116.25 123.50 1b9b h VAL 670 Ca -0.45 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1b9b h VAL 670 Cb 1.28 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1b9b h VAL 670 CO 0.96 0.13 0.00 -2.67 0.02 0.00 0.00 177.57 176.01 1b9b n TRP 671 N -4.50 0.00 -1.93 1.57 4.27 -1.25 -2.05 117.44 113.54 1b9b n TRP 671 Ca 0.13 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.78 1b9b n TRP 671 Cb 0.33 0.00 0.07 0.00 -1.36 0.00 0.00 31.31 30.34 1b9b n TRP 671 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1b9b n ALA 672 N -0.58 2.45 -3.14 -1.67 0.00 -0.21 -4.66 120.51 112.70 1b9b n ALA 672 Ca 0.02 -2.12 -0.41 0.00 0.00 0.00 0.00 53.44 50.93 1b9b n ALA 672 Cb 0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 1b9b n ALA 672 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b9b s ILE 673 N -1.05 4.44 0.00 0.00 1.01 -0.87 -3.13 121.20 121.59 1b9b s ILE 673 Ca 0.23 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1b9b s ILE 673 Cb 0.24 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1b9b s ILE 673 CO -0.06 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.02 1b9b n GLY 674 N 4.98 0.58 0.21 6.18 0.00 -1.26 -4.76 105.19 111.12 1b9b n GLY 674 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1b9b n GLY 674 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b9b n THR 675 N -2.00 0.00 0.00 2.61 -2.24 -1.26 -4.92 114.28 106.46 1b9b n THR 675 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1b9b n THR 675 Cb 0.00 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1b9b n THR 675 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b9b n GLY 676 N 1.34 2.54 3.09 3.38 0.00 -1.26 -4.89 105.19 109.39 1b9b n GLY 676 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 1b9b n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b9b n ARG 677 N -0.18 0.28 -0.64 1.61 1.74 -1.26 -4.82 116.66 113.38 1b9b n ARG 677 Ca 0.00 -0.78 -0.31 0.00 -0.77 0.00 0.00 57.85 55.98 1b9b n ARG 677 Cb 0.00 -2.21 0.19 0.00 -1.02 0.00 0.00 32.46 29.41 1b9b n ARG 677 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1b9b n VAL 678 N 5.47 0.00 -3.82 1.55 3.14 -1.26 -4.41 118.33 119.00 1b9b n VAL 678 Ca 0.19 -0.29 -0.37 0.00 -2.96 0.00 0.00 64.34 60.91 1b9b n VAL 678 Cb 0.14 -0.76 -0.06 0.00 -1.06 0.00 0.00 33.84 32.10 1b9b n VAL 678 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b9b s ALA 679 N -2.36 3.83 0.49 1.55 0.00 -1.26 -4.96 121.76 119.06 1b9b s ALA 679 Ca 0.61 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.73 1b9b s ALA 679 Cb -0.19 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.82 1b9b s ALA 679 CO 0.65 0.54 1.40 0.95 0.00 0.00 0.00 175.76 179.31 1b9b s THR 680 N -0.85 2.06 0.11 0.00 -4.23 -1.26 -4.74 115.64 106.73 1b9b s THR 680 Ca 0.15 0.05 0.23 0.00 -1.18 0.00 0.00 61.69 60.95 1b9b s THR 680 Cb -0.12 -3.03 0.23 0.00 1.34 0.00 0.00 72.50 70.92 1b9b s THR 680 CO 0.04 0.00 1.68 -0.65 -0.54 0.00 0.00 174.62 175.15 1b9b h PRO 681 N 1.96 0.00 0.43 3.99 0.11 -1.98 -1.26 132.00 135.25 1b9b h PRO 681 Ca -0.51 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1b9b h PRO 681 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1b9b h PRO 681 CO 0.59 0.00 -0.21 1.96 -0.21 0.00 0.00 178.00 180.14 1b9b h GLN 682 N 0.00 -0.56 -0.41 1.05 7.50 -1.92 -1.75 115.11 119.02 1b9b h GLN 682 Ca 0.00 0.04 0.08 0.00 0.50 0.00 0.00 58.65 59.27 1b9b h GLN 682 Cb 0.29 0.13 -0.09 0.00 0.05 0.00 0.00 27.48 27.85 1b9b h GLN 682 CO 0.00 -0.37 -0.30 1.96 -1.50 0.00 0.00 178.83 178.61 1b9b h GLN 683 N -0.94 -0.22 0.16 1.46 4.20 -1.61 0.23 115.11 118.39 1b9b h GLN 683 Ca -0.06 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1b9b h GLN 683 Cb 0.45 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1b9b h GLN 683 CO 0.10 -0.15 -0.47 0.00 -0.67 0.00 0.00 178.83 177.64 1b9b h ALA 684 N 0.84 -0.98 -0.65 3.87 0.00 -1.45 -2.44 119.26 118.46 1b9b h ALA 684 Ca 0.18 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1b9b h ALA 684 Cb 0.52 0.83 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 1b9b h ALA 684 CO -0.54 -1.08 0.23 0.37 0.00 0.00 0.00 179.25 178.23 1b9b h GLN 685 N -0.71 0.38 -0.09 0.00 5.75 -0.73 -1.10 115.11 118.62 1b9b h GLN 685 Ca -0.01 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 1b9b h GLN 685 Cb 0.69 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.10 1b9b h GLN 685 CO -0.23 0.25 -0.43 1.49 -2.65 0.00 0.00 178.83 177.26 1b9b h GLU 686 N 0.40 -0.51 -0.01 1.69 4.81 -0.12 0.13 114.58 120.97 1b9b h GLU 686 Ca 0.34 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1b9b h GLU 686 Cb 0.46 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1b9b h GLU 686 CO -0.35 -0.34 0.00 0.28 -0.73 0.00 0.00 179.01 177.87 1b9b h VAL 687 N -0.53 1.01 -0.84 0.32 2.07 -1.06 -2.40 116.25 114.81 1b9b h VAL 687 Ca 0.06 -0.03 0.16 0.00 0.82 0.00 0.00 66.70 67.71 1b9b h VAL 687 Cb 0.64 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1b9b h VAL 687 CO -0.38 0.01 0.55 0.45 0.02 0.00 0.00 177.57 178.22 1b9b h HIS 688 N -0.00 0.61 -0.34 1.57 3.86 -0.85 0.47 115.15 120.47 1b9b h HIS 688 Ca 0.00 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 1b9b h HIS 688 Cb 0.01 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1b9b h HIS 688 CO -0.08 0.21 -0.33 0.00 0.86 0.00 0.00 177.93 178.60 1b9b h ALA 689 N 1.62 0.78 0.80 2.45 0.00 -0.53 -2.54 119.26 121.84 1b9b h ALA 689 Ca 0.42 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1b9b h ALA 689 Cb 0.89 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1b9b h ALA 689 CO -0.16 0.65 -0.39 0.35 0.00 0.00 0.00 179.25 179.70 1b9b h PHE 690 N 0.64 -1.00 -0.61 0.00 3.57 -0.51 -1.34 116.94 117.68 1b9b h PHE 690 Ca 0.07 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.72 1b9b h PHE 690 Cb 0.86 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1b9b h PHE 690 CO 0.04 -0.62 0.70 0.82 -2.23 0.00 0.00 178.31 177.03 1b9b h ILE 691 N -1.27 0.24 0.00 1.41 2.04 -1.16 0.60 117.51 119.37 1b9b h ILE 691 Ca -0.11 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.55 1b9b h ILE 691 Cb 0.83 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1b9b h ILE 691 CO 0.18 0.00 -1.39 -0.09 0.00 0.00 0.00 178.15 176.85 1b9b h ARG 692 N 0.00 0.00 -0.05 2.37 2.43 -1.06 -2.17 114.38 115.90 1b9b h ARG 692 Ca 0.29 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.27 1b9b h ARG 692 Cb 1.69 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.25 1b9b h ARG 692 CO -0.00 0.40 -0.72 -0.22 -1.51 0.00 0.00 179.97 177.92 1b9b h LYS 693 N 0.00 0.57 0.32 0.20 3.64 0.12 -2.34 116.57 119.08 1b9b h LYS 693 Ca -0.17 -0.55 -0.00 0.00 -1.27 0.00 0.00 60.65 58.66 1b9b h LYS 693 Cb 1.69 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.63 1b9b h LYS 693 CO 0.06 1.17 -0.31 1.25 -2.27 0.00 0.00 179.45 179.35 1b9b h LEU 694 N 0.18 -0.84 -1.97 5.20 6.46 -0.78 0.12 115.31 123.68 1b9b h LEU 694 Ca -0.08 0.07 0.16 0.00 -0.12 0.00 0.00 57.88 57.92 1b9b h LEU 694 Cb 1.38 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.57 1b9b h LEU 694 CO 0.14 -0.44 0.49 -0.07 -0.62 0.00 0.00 178.44 177.94 1b9b h LEU 695 N -0.65 0.00 -0.12 2.25 4.07 -1.41 0.42 115.31 119.87 1b9b h LEU 695 Ca -0.02 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 1b9b h LEU 695 Cb 0.59 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.33 1b9b h LEU 695 CO -0.06 0.00 -0.20 -1.28 -1.08 0.00 0.00 178.44 175.82 1b9b h SER 696 N 0.00 0.38 -0.25 -0.43 0.87 -0.22 -2.01 113.55 111.89 1b9b h SER 696 Ca 0.26 -0.54 -0.06 0.00 -1.23 0.00 0.00 61.79 60.22 1b9b h SER 696 Cb 1.24 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1b9b h SER 696 CO -0.00 0.85 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.74 1b9b h GLU 697 N -0.07 0.50 -0.50 2.24 5.08 -0.18 -2.23 114.58 119.42 1b9b h GLU 697 Ca 0.01 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1b9b h GLU 697 Cb 0.78 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.94 1b9b h GLU 697 CO 0.05 0.73 0.16 0.52 -1.00 0.00 0.00 179.01 179.46 1b9b h MET 698 N 0.23 0.31 0.00 2.33 2.86 -1.04 -3.43 114.93 116.20 1b9b h MET 698 Ca 0.06 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1b9b h MET 698 Cb 0.56 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1b9b h MET 698 CO 0.03 0.21 0.00 0.66 1.06 0.00 0.00 176.91 178.87 1b9b n TYR 699 N -5.03 0.00 -3.83 -0.22 4.02 -0.76 -5.08 117.16 106.27 1b9b n TYR 699 Ca 0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.88 1b9b n TYR 699 Cb 0.21 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.54 1b9b n TYR 699 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1b9b s ASP 700 N 0.98 -0.08 0.11 7.72 -4.77 -0.85 -4.95 116.67 114.84 1b9b s ASP 700 Ca 0.00 -0.79 -0.26 0.00 -3.30 0.00 0.00 52.55 48.19 1b9b s ASP 700 Cb 0.00 0.67 -0.10 0.00 -1.09 0.00 0.00 42.92 42.41 1b9b s ASP 700 CO 0.00 -1.31 1.66 -0.33 0.70 0.00 0.00 175.17 175.89 1b9b h GLU 701 N 2.00 -0.38 -0.47 2.11 4.39 -1.90 -1.41 114.58 118.91 1b9b h GLU 701 Ca -0.27 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.55 1b9b h GLU 701 Cb 1.24 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.88 1b9b h GLU 701 CO 0.33 -0.26 -0.25 1.49 -1.16 0.00 0.00 179.01 179.17 1b9b h GLU 702 N -0.40 -0.14 0.42 2.33 4.81 -1.96 -1.92 114.58 117.72 1b9b h GLU 702 Ca 0.02 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1b9b h GLU 702 Cb 0.41 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1b9b h GLU 702 CO -0.10 -0.09 -0.20 1.15 -0.73 0.00 0.00 179.01 179.03 1b9b h THR 703 N -0.14 0.59 -0.13 0.32 2.02 -1.88 -2.51 112.91 111.17 1b9b h THR 703 Ca 0.22 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1b9b h THR 703 Cb 0.49 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1b9b h THR 703 CO -0.56 0.00 0.28 0.00 0.37 0.00 0.00 175.52 175.61 1b9b h ALA 704 N 0.01 1.57 0.00 6.16 0.00 -0.89 0.23 119.26 126.35 1b9b h ALA 704 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b9b h ALA 704 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1b9b h ALA 704 CO 0.09 -0.35 -0.70 0.78 0.00 0.00 0.00 179.25 179.08 1b9b h GLY 705 N 0.00 0.00 1.12 0.00 0.00 -0.93 -3.34 103.07 99.91 1b9b h GLY 705 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.12 1b9b h GLY 705 CO -0.00 0.00 -1.60 1.76 0.00 0.00 0.00 176.54 176.70 1b9b h SER 706 N 0.00 0.00 -2.92 0.19 0.02 -0.27 -3.44 113.55 107.13 1b9b h SER 706 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1b9b h SER 706 Cb 0.78 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1b9b h SER 706 CO 0.00 0.98 1.00 -0.63 -1.14 0.00 0.00 176.83 177.04 1b9b s ILE 707 N -2.63 4.02 0.09 3.27 1.01 -1.00 -4.93 121.20 121.04 1b9b s ILE 707 Ca -0.04 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.50 1b9b s ILE 707 Cb 0.08 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 1b9b s ILE 707 CO 0.82 -0.28 1.08 -0.13 0.00 0.00 0.00 174.94 176.43 1b9b s ARG 708 N 4.07 4.56 -0.29 2.79 3.00 -1.26 -4.93 118.95 126.88 1b9b s ARG 708 Ca 0.61 1.62 0.01 0.00 0.00 0.00 0.00 55.73 57.97 1b9b s ARG 708 Cb -0.22 -3.36 0.07 0.00 0.00 0.00 0.00 34.95 31.44 1b9b s ARG 708 CO 0.22 -0.03 -0.03 0.42 0.00 0.00 0.00 175.30 175.88 1b9b s ILE 709 N 0.47 2.49 0.33 1.52 1.01 -1.26 -1.21 121.20 124.56 1b9b s ILE 709 Ca 0.52 -1.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.46 1b9b s ILE 709 Cb -0.26 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1b9b s ILE 709 CO 0.31 -0.18 0.55 -0.76 0.00 0.00 0.00 174.94 174.85 1b9b s LEU 710 N 1.11 4.02 0.27 2.97 1.43 -0.17 -1.39 118.68 126.92 1b9b s LEU 710 Ca -0.04 0.49 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 1b9b s LEU 710 Cb -0.20 -3.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 1b9b s LEU 710 CO -0.04 -0.28 0.39 -0.47 0.23 0.00 0.00 176.35 176.18 1b9b s TYR 711 N -2.28 3.37 0.00 0.29 5.04 -0.60 -0.57 117.35 122.60 1b9b s TYR 711 Ca 0.40 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 1b9b s TYR 711 Cb -0.10 -1.68 0.00 0.00 0.35 0.00 0.00 41.96 40.53 1b9b s TYR 711 CO 0.35 0.32 0.32 0.41 -1.34 0.00 0.00 175.55 175.62 1b9b n GLY 712 N -1.47 -1.30 0.00 8.97 0.00 -0.17 -0.68 105.19 110.54 1b9b n GLY 712 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1b9b n GLY 712 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b9b n GLY 713 N 0.00 -1.19 2.75 -0.02 0.00 -1.26 -4.62 105.19 100.85 1b9b n GLY 713 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1b9b n GLY 713 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b9b n SER 714 N 0.00 4.62 -4.44 1.61 7.64 -1.19 -4.57 113.62 117.30 1b9b n SER 714 Ca 0.00 -3.70 -0.47 0.00 1.01 0.00 0.00 58.87 55.71 1b9b n SER 714 Cb 0.00 -0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 62.57 1b9b n SER 714 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1b9b n ILE 715 N -0.35 0.04 -3.82 0.44 5.41 -1.26 -4.85 119.36 114.97 1b9b n ILE 715 Ca 0.35 -0.21 -0.21 0.00 1.00 0.00 0.00 62.75 63.67 1b9b n ILE 715 Cb 0.50 -1.22 -0.04 0.00 -0.71 0.00 0.00 39.64 38.17 1b9b n ILE 715 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1b9b s LYS 716 N 7.41 2.70 0.60 0.38 1.02 -1.26 -4.67 119.74 125.91 1b9b s LYS 716 Ca 1.18 -1.32 0.38 0.00 0.02 0.00 0.00 55.97 56.24 1b9b s LYS 716 Cb -1.01 -2.45 1.89 0.00 -0.52 0.00 0.00 37.83 35.73 1b9b s LYS 716 CO 0.49 0.09 2.19 -1.00 -0.92 0.00 0.00 175.35 176.19 1b9b h PRO 717 N 1.26 0.00 0.00 -1.68 0.13 -1.92 -2.25 132.00 127.55 1b9b h PRO 717 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 1b9b h PRO 717 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1b9b h PRO 717 CO 0.59 0.02 -0.58 0.38 -0.23 0.00 0.00 178.00 178.17 1b9b h ASP 718 N 0.00 0.00 0.91 1.44 2.03 -1.98 -3.39 116.42 115.42 1b9b h ASP 718 Ca -0.00 -0.56 -0.10 0.00 -0.73 0.00 0.00 57.03 55.64 1b9b h ASP 718 Cb 0.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 1b9b h ASP 718 CO 0.00 1.11 -0.50 -0.55 -1.03 0.00 0.00 179.24 178.28 1b9b h ASN 719 N -1.00 0.00 -1.10 4.15 7.08 -1.96 -3.31 115.58 119.44 1b9b h ASN 719 Ca -0.14 0.00 0.32 0.00 -3.08 0.00 0.00 56.30 53.39 1b9b h ASN 719 Cb 0.95 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.14 1b9b h ASN 719 CO -0.09 0.50 0.87 0.15 -2.08 0.00 0.00 177.43 176.78 1b9b h PHE 720 N 0.00 0.00 -0.21 4.14 3.57 -1.60 0.27 116.94 123.10 1b9b h PHE 720 Ca -0.00 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1b9b h PHE 720 Cb 1.09 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1b9b h PHE 720 CO 0.00 0.00 -0.42 1.25 -2.23 0.00 0.00 178.31 176.91 1b9b h LEU 721 N 0.00 0.54 0.00 0.59 7.12 -1.83 -2.60 115.31 119.13 1b9b h LEU 721 Ca 0.52 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1b9b h LEU 721 Cb 2.27 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 42.25 1b9b h LEU 721 CO -0.01 0.89 0.00 0.61 -0.13 0.00 0.00 178.44 179.81 1b9b n GLY 722 N -0.02 -0.83 0.51 3.75 0.00 0.95 -3.38 105.19 106.16 1b9b n GLY 722 Ca -0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1b9b n GLY 722 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b9b n LEU 723 N -1.13 1.36 0.25 0.99 4.77 -1.04 -4.52 117.00 117.68 1b9b n LEU 723 Ca 0.14 0.22 0.14 0.00 -0.03 0.00 0.00 56.01 56.48 1b9b n LEU 723 Cb 0.12 -0.52 0.74 0.00 -2.33 0.00 0.00 43.42 41.43 1b9b n LEU 723 CO 0.14 -0.10 0.99 0.16 -1.33 0.00 0.00 177.39 177.25 1b9b h ILE 724 N -0.57 0.00 -0.11 -0.08 -0.00 -1.58 0.41 117.51 115.58 1b9b h ILE 724 Ca -0.19 0.00 -0.19 0.00 -0.00 0.00 0.00 64.86 64.48 1b9b h ILE 724 Cb 0.94 0.60 -0.00 0.00 -0.00 0.00 0.00 36.82 38.36 1b9b h ILE 724 CO -0.12 0.00 -0.72 1.62 -0.00 0.00 0.00 178.15 178.93 1b9b h VAL 725 N 0.00 1.35 -2.60 0.16 3.04 -1.80 -3.46 116.25 112.94 1b9b h VAL 725 Ca 0.00 -2.06 -0.56 0.00 -1.01 0.00 0.00 66.70 63.08 1b9b h VAL 725 Cb 0.34 2.04 0.21 0.00 -2.01 0.00 0.00 31.29 31.87 1b9b h VAL 725 CO 0.00 0.63 -1.09 0.00 -1.01 0.00 0.00 177.57 176.09 1b9b n GLN 726 N -3.88 0.02 -0.03 4.17 1.13 0.13 -4.92 117.38 114.00 1b9b n GLN 726 Ca -0.05 0.03 -0.12 0.00 -1.94 0.00 0.00 57.00 54.92 1b9b n GLN 726 Cb 0.71 -1.39 -0.07 0.00 0.11 0.00 0.00 30.24 29.60 1b9b n GLN 726 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1b9b h LYS 727 N -0.76 0.18 -0.85 -1.09 3.64 -1.89 -3.32 116.57 112.48 1b9b h LYS 727 Ca -0.44 -0.05 -0.54 0.00 -1.27 0.00 0.00 60.65 58.35 1b9b h LYS 727 Cb 1.34 -0.02 -0.29 0.00 -0.41 0.00 0.00 32.23 32.85 1b9b h LYS 727 CO 0.34 0.39 0.39 -0.25 -2.27 0.00 0.00 179.45 178.05 1b9b n ASP 728 N -4.84 5.50 -3.97 4.20 8.00 -1.26 -4.87 116.55 119.32 1b9b n ASP 728 Ca -0.06 -3.75 -0.31 0.00 0.71 0.00 0.00 54.79 51.39 1b9b n ASP 728 Cb 0.17 -0.79 -0.15 0.00 -0.02 0.00 0.00 41.12 40.33 1b9b n ASP 728 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1b9b s ILE 729 N -4.19 1.71 -2.53 0.53 1.01 -1.25 -4.70 121.20 111.77 1b9b s ILE 729 Ca 0.58 -1.42 0.25 0.00 0.00 0.00 0.00 60.65 60.06 1b9b s ILE 729 Cb 0.47 -1.97 0.45 0.00 0.01 0.00 0.00 42.46 41.42 1b9b s ILE 729 CO 0.03 -0.15 1.58 0.47 0.00 0.00 0.00 174.94 176.86 1b9b n ASP 730 N 4.59 1.99 0.00 3.58 8.00 -0.49 -4.73 116.55 129.49 1b9b n ASP 730 Ca -0.11 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1b9b n ASP 730 Cb 0.43 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1b9b n ASP 730 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b9b n GLY 731 N 1.23 -0.68 3.09 0.44 0.00 -1.26 -1.63 105.19 106.37 1b9b n GLY 731 Ca 0.17 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1b9b n GLY 731 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b9b s GLY 732 N 0.00 0.01 -0.54 -0.02 0.00 -0.17 -1.56 107.32 105.04 1b9b s GLY 732 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 44.72 44.62 1b9b s GLY 732 CO 0.00 -0.12 0.42 -2.27 0.00 0.00 0.00 173.10 171.14 1b9b s LEU 733 N -1.02 5.81 -0.04 0.66 1.98 0.14 -0.71 118.68 125.50 1b9b s LEU 733 Ca -0.11 -2.14 -0.20 0.00 -2.89 0.00 0.00 54.13 48.79 1b9b s LEU 733 Cb -0.06 -2.03 -0.05 0.00 0.66 0.00 0.00 46.19 44.71 1b9b s LEU 733 CO 0.01 -0.64 0.56 -0.69 -1.89 0.00 0.00 176.35 173.70 1b9b s VAL 734 N 1.01 5.01 0.00 1.68 1.01 0.13 -4.51 120.40 124.74 1b9b s VAL 734 Ca 0.09 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1b9b s VAL 734 Cb -0.23 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1b9b s VAL 734 CO -0.02 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1b9b n GLY 735 N 2.70 0.52 0.44 4.51 0.00 -1.26 0.55 105.19 112.64 1b9b n GLY 735 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1b9b n GLY 735 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1b9b h GLY 736 N 0.00 -0.90 0.90 -0.02 0.00 -1.92 -1.49 103.07 99.64 1b9b h GLY 736 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1b9b h GLY 736 CO 0.00 -0.14 0.48 0.00 0.00 0.00 0.00 176.54 176.88 1b9b h ALA 737 N 0.07 1.40 0.00 3.60 0.00 -1.89 0.77 119.26 123.20 1b9b h ALA 737 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1b9b h ALA 737 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1b9b h ALA 737 CO -0.59 -0.40 0.00 -1.13 0.00 0.00 0.00 179.25 177.13 1b9b n SER 738 N -2.36 0.00 -0.07 0.00 3.41 -0.56 -1.90 113.62 112.15 1b9b n SER 738 Ca -0.01 0.45 -0.11 0.00 -0.26 0.00 0.00 58.87 58.95 1b9b n SER 738 Cb 0.50 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 1b9b n SER 738 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1b9b h LEU 739 N 0.00 0.00 0.00 1.04 3.38 0.43 -3.46 115.31 116.70 1b9b h LEU 739 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1b9b h LEU 739 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1b9b h LEU 739 CO 0.00 0.92 0.00 0.29 0.09 0.00 0.00 178.44 179.74 1b9b n LYS 740 N -4.63 -0.23 0.04 1.13 4.76 -1.25 -4.96 118.16 113.03 1b9b n LYS 740 Ca -0.11 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.46 1b9b n LYS 740 Cb 0.36 0.00 0.32 0.00 -1.84 0.00 0.00 35.03 33.87 1b9b n LYS 740 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1b9b n GLU 741 N -1.05 0.16 0.21 1.97 4.71 -1.26 -3.43 120.64 121.94 1b9b n GLU 741 Ca 0.00 0.07 0.18 0.00 -0.01 0.00 0.00 57.16 57.41 1b9b n GLU 741 Cb 0.00 -1.63 0.80 0.00 -1.01 0.00 0.00 31.44 29.60 1b9b n GLU 741 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1b9b h SER 742 N 0.00 0.00 -0.64 1.62 4.64 -1.93 1.30 113.55 118.53 1b9b h SER 742 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1b9b h SER 742 Cb 0.64 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1b9b h SER 742 CO 0.00 0.00 0.32 0.15 -0.87 0.00 0.00 176.83 176.43 1b9b h PHE 743 N 0.00 0.91 0.00 4.77 3.57 -1.40 -0.39 116.94 124.40 1b9b h PHE 743 Ca 0.10 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1b9b h PHE 743 Cb 0.81 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1b9b h PHE 743 CO 0.00 0.68 -0.05 0.82 -2.23 0.00 0.00 178.31 177.53 1b9b h ILE 744 N 0.88 0.19 0.19 1.41 2.04 0.14 -1.31 117.51 121.05 1b9b h ILE 744 Ca 0.22 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1b9b h ILE 744 Cb 0.10 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1b9b h ILE 744 CO -0.03 0.05 -0.09 -0.08 0.00 0.00 0.00 178.15 178.00 1b9b h GLU 745 N 0.00 -0.24 -0.75 2.37 4.81 -0.78 -2.88 114.58 117.11 1b9b h GLU 745 Ca -0.00 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1b9b h GLU 745 Cb 0.36 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.68 1b9b h GLU 745 CO 0.01 0.06 0.14 -0.07 -0.73 0.00 0.00 179.01 178.42 1b9b h LEU 746 N -0.99 -0.07 -1.87 1.64 3.38 -0.85 0.91 115.31 117.47 1b9b h LEU 746 Ca -0.03 0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1b9b h LEU 746 Cb 0.41 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1b9b h LEU 746 CO 0.04 -0.08 0.25 0.00 0.09 0.00 0.00 178.44 178.74 1b9b h ALA 747 N 1.64 2.13 0.25 1.53 0.00 -1.30 -1.12 119.26 122.39 1b9b h ALA 747 Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1b9b h ALA 747 Cb 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1b9b h ALA 747 CO -0.55 -0.21 -0.12 -0.09 0.00 0.00 0.00 179.25 178.27 1b9b h ARG 748 N 0.16 -0.32 -0.45 0.00 9.65 0.10 -3.02 114.38 120.50 1b9b h ARG 748 Ca 0.16 0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.15 1b9b h ARG 748 Cb 0.45 0.07 -0.10 0.00 -1.39 0.00 0.00 29.97 29.00 1b9b h ARG 748 CO -0.02 0.04 -0.33 0.82 2.80 0.00 0.00 179.97 183.28 1b9b h ILE 749 N -0.83 0.22 -0.55 1.20 2.04 -0.44 0.70 117.51 119.86 1b9b h ILE 749 Ca -0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1b9b h ILE 749 Cb 0.51 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1b9b h ILE 749 CO 0.06 0.00 0.39 0.24 0.00 0.00 0.00 178.15 178.84 1b9b h MET 750 N -0.23 0.03 0.00 2.37 2.86 -1.30 0.88 114.93 119.55 1b9b h MET 750 Ca 0.19 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1b9b h MET 750 Cb 0.54 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1b9b h MET 750 CO -0.57 0.02 -0.26 -0.09 1.06 0.00 0.00 176.91 177.07 1b9b h ARG 751 N 0.03 0.00 -1.69 1.72 1.12 -0.72 -3.11 114.38 111.73 1b9b h ARG 751 Ca 0.26 0.00 -0.43 0.00 -1.11 0.00 0.00 59.98 58.70 1b9b h ARG 751 Cb 1.00 0.00 -0.17 0.00 -0.01 0.00 0.00 29.97 30.79 1b9b h ARG 751 CO -0.01 0.26 0.45 0.41 -3.11 0.00 0.00 179.97 177.97 1b9b n GLY 752 N -0.07 4.36 0.22 2.80 0.00 0.30 -3.14 105.19 109.67 1b9b n GLY 752 Ca -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1b9b n GLY 752 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b9b n VAL 753 N 0.47 0.00 -4.14 1.61 0.31 -1.17 -5.06 118.33 110.35 1b9b n VAL 753 Ca 0.41 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.61 1b9b n VAL 753 Cb 0.57 0.21 -0.11 0.00 -0.91 0.00 0.00 33.84 33.60 1b9b n VAL 753 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1b9b s ILE 754 N 0.00 0.74 0.00 2.52 1.01 -1.19 -5.14 121.20 119.14 1b9b s ILE 754 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1b9b s ILE 754 Cb 0.00 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1b9b s ILE 754 CO 0.00 -0.58 0.00 -0.24 0.00 0.00 0.00 174.94 174.12