#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1si5 s VAL 496 N 0.00 3.88 -1.25 2.52 1.01 -0.60 -3.98 120.40 121.97 1si5 s VAL 496 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1si5 s VAL 496 Cb 0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1si5 s VAL 496 CO 0.00 0.53 0.77 0.59 0.00 0.00 0.00 175.10 176.99 1si5 n ASN 497 N 3.04 -2.12 -3.16 3.32 3.02 -1.26 -2.27 115.26 115.84 1si5 n ASN 497 Ca -0.18 -0.80 -0.16 0.00 -0.03 0.00 0.00 54.58 53.41 1si5 n ASN 497 Cb 0.53 -4.26 -0.04 0.00 -0.61 0.00 0.00 39.78 35.40 1si5 n ASN 497 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1si5 n GLY 498 N -1.49 3.73 3.23 7.41 0.00 -1.26 -4.70 105.19 112.11 1si5 n GLY 498 Ca -0.26 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.46 1si5 n GLY 498 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1si5 s ILE 499 N -2.21 0.88 0.65 -0.61 -4.36 -0.63 -4.89 121.20 110.02 1si5 s ILE 499 Ca 0.06 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.27 1si5 s ILE 499 Cb 0.00 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.81 1si5 s ILE 499 CO 0.04 -0.69 1.25 -2.84 0.24 0.00 0.00 174.94 172.94 1si5 s PRO 500 N -3.83 2.59 0.33 0.37 0.02 -1.26 -0.72 135.00 132.50 1si5 s PRO 500 Ca 0.18 1.94 -0.24 0.00 0.02 0.00 0.00 61.00 62.90 1si5 s PRO 500 Cb 0.05 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.60 1si5 s PRO 500 CO 0.00 -1.53 0.91 0.95 -0.33 0.00 0.00 177.00 177.00 1si5 s THR 501 N -1.56 4.30 0.11 0.99 -4.23 -0.68 -4.75 115.64 109.82 1si5 s THR 501 Ca 0.80 1.67 -0.23 0.00 -1.18 0.00 0.00 61.69 62.74 1si5 s THR 501 Cb -0.34 -3.90 -0.09 0.00 1.34 0.00 0.00 72.50 69.51 1si5 s THR 501 CO 0.39 0.05 1.70 0.03 -0.54 0.00 0.00 174.62 176.25 1si5 h ARG 502 N 2.93 -0.17 0.00 3.99 3.08 -1.94 -3.46 114.38 118.82 1si5 h ARG 502 Ca -0.47 0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.06 1si5 h ARG 502 Cb 1.19 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 31.16 1si5 h ARG 502 CO 0.64 -0.11 -0.46 -2.37 -1.07 0.00 0.00 179.97 176.60 1si5 n THR 503 N -5.22 0.00 -2.31 2.04 5.66 -1.26 -5.15 114.28 108.04 1si5 n THR 503 Ca -0.06 -2.34 -0.32 0.00 -3.05 0.00 0.00 64.05 58.28 1si5 n THR 503 Cb 0.15 0.91 -0.02 0.00 -1.55 0.00 0.00 70.33 69.81 1si5 n THR 503 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1si5 s ASN 504 N -3.42 6.44 -0.24 1.09 2.20 -1.26 -5.03 114.94 114.73 1si5 s ASN 504 Ca 0.24 1.62 -0.08 0.00 -0.94 0.00 0.00 52.86 53.70 1si5 s ASN 504 Cb 0.01 -2.51 -0.04 0.00 -2.00 0.00 0.00 41.25 36.71 1si5 s ASN 504 CO 0.17 -0.71 0.10 -0.63 -2.94 0.00 0.00 177.10 173.09 1si5 s ILE 505 N -2.60 4.69 0.30 0.54 -1.09 -1.26 -5.02 121.20 116.75 1si5 s ILE 505 Ca 0.60 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 1si5 s ILE 505 Cb -0.11 -3.18 0.16 0.00 -1.58 0.00 0.00 42.46 37.75 1si5 s ILE 505 CO 0.33 0.35 1.85 1.23 -1.23 0.00 0.00 174.94 177.46 1si5 h GLY 506 N 7.87 0.83 0.14 6.18 0.00 -1.88 -2.44 103.07 113.76 1si5 h GLY 506 Ca -0.37 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1si5 h GLY 506 CO 0.60 0.44 0.00 -2.67 0.00 0.00 0.00 176.54 174.91 1si5 n TRP 507 N -4.29 0.06 -3.21 5.60 4.27 -1.19 -2.18 117.44 116.50 1si5 n TRP 507 Ca 0.04 -0.03 -0.39 0.00 -3.89 0.00 0.00 57.50 53.23 1si5 n TRP 507 Cb 0.22 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.11 1si5 n TRP 507 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 1si5 s MET 508 N -1.94 4.38 -0.05 -2.67 -1.94 -0.92 -2.04 119.30 114.11 1si5 s MET 508 Ca 0.32 0.61 0.05 0.00 -1.71 0.00 0.00 55.69 54.96 1si5 s MET 508 Cb 0.16 -3.44 -0.02 0.00 2.01 0.00 0.00 34.83 33.54 1si5 s MET 508 CO 0.26 0.13 -0.19 0.08 -0.01 0.00 0.00 175.02 175.28 1si5 s VAL 509 N 0.68 2.60 -0.46 -6.03 1.01 0.55 -4.46 120.40 114.29 1si5 s VAL 509 Ca 0.30 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1si5 s VAL 509 Cb -0.16 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.28 1si5 s VAL 509 CO 0.13 0.58 0.47 -0.55 0.00 0.00 0.00 175.10 175.72 1si5 s SER 510 N -0.45 6.18 -0.27 3.32 0.15 -0.74 -0.11 113.70 121.79 1si5 s SER 510 Ca 0.05 -0.93 -0.29 0.00 0.70 0.00 0.00 55.95 55.48 1si5 s SER 510 Cb -0.12 -2.23 -0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1si5 s SER 510 CO 0.01 -0.67 1.29 -0.22 1.20 0.00 0.00 173.24 174.85 1si5 s LEU 511 N 2.10 3.95 -0.01 3.45 0.20 0.13 -2.08 118.68 126.41 1si5 s LEU 511 Ca 0.10 1.31 -0.12 0.00 0.69 0.00 0.00 54.13 56.11 1si5 s LEU 511 Cb -0.20 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.97 1si5 s LEU 511 CO 0.11 -1.01 0.35 -0.13 -0.29 0.00 0.00 176.35 175.38 1si5 s ARG 512 N 4.02 3.79 -0.09 1.98 1.81 -0.91 -1.39 118.95 128.16 1si5 s ARG 512 Ca 0.56 0.25 -0.01 0.00 -1.72 0.00 0.00 55.73 54.81 1si5 s ARG 512 Cb -0.18 -3.17 0.03 0.00 -0.45 0.00 0.00 34.95 31.18 1si5 s ARG 512 CO 0.21 0.69 -0.03 -0.47 -0.68 0.00 0.00 175.30 175.02 1si5 s TYR 513 N -1.13 0.97 -1.19 -0.53 5.04 0.67 -2.92 117.35 118.27 1si5 s TYR 513 Ca 0.24 -0.38 -0.02 0.00 -2.44 0.00 0.00 57.07 54.46 1si5 s TYR 513 Cb -0.15 -0.96 -0.02 0.00 0.35 0.00 0.00 41.96 41.18 1si5 s TYR 513 CO 0.13 -0.40 0.90 0.54 -1.34 0.00 0.00 175.55 175.38 1si5 n ARG 514 N 5.06 -5.02 -3.50 4.97 5.12 -0.71 -2.70 116.66 119.87 1si5 n ARG 514 Ca -0.09 0.78 -0.24 0.00 -1.93 0.00 0.00 57.85 56.37 1si5 n ARG 514 Cb 0.50 -5.62 0.06 0.00 -1.16 0.00 0.00 32.46 26.24 1si5 n ARG 514 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1si5 n ASN 515 N -3.11 -6.06 -3.63 0.55 3.02 -1.26 -4.99 115.26 99.77 1si5 n ASN 515 Ca -0.24 -0.51 -0.12 0.00 -0.03 0.00 0.00 54.58 53.69 1si5 n ASN 515 Cb 0.66 -4.81 -0.07 0.00 -0.61 0.00 0.00 39.78 34.95 1si5 n ASN 515 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1si5 s LYS 516 N -6.21 0.69 0.43 3.52 2.20 -1.10 -5.12 119.74 114.16 1si5 s LYS 516 Ca 0.53 0.85 -0.24 0.00 -0.36 0.00 0.00 55.97 56.74 1si5 s LYS 516 Cb -0.24 0.32 -0.10 0.00 -1.51 0.00 0.00 37.83 36.31 1si5 s LYS 516 CO 0.65 -0.09 1.13 1.58 -0.36 0.00 0.00 175.35 178.27 1si5 n HIS 517 N 2.61 1.60 0.00 4.03 -0.00 -1.26 -0.24 115.22 121.97 1si5 n HIS 517 Ca -0.14 0.52 0.00 0.00 -0.00 0.00 0.00 57.72 58.11 1si5 n HIS 517 Cb 0.56 -2.29 0.00 0.00 -0.00 0.00 0.00 29.99 28.25 1si5 n HIS 517 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1si5 n ILE 518 N -0.45 0.00 -3.96 3.57 3.06 -0.48 -4.78 119.36 116.32 1si5 n ILE 518 Ca 0.09 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.25 1si5 n ILE 518 Cb 0.40 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.53 1si5 n ILE 518 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1si5 s GLY 520 N -2.99 1.60 0.19 0.00 0.00 -0.29 0.17 107.32 106.01 1si5 s GLY 520 Ca 0.19 -1.54 -0.05 0.00 0.00 0.00 0.00 44.72 43.32 1si5 s GLY 520 CO 0.07 -1.59 0.23 -0.32 0.00 0.00 0.00 173.10 171.49 1si5 s GLY 521 N -3.59 0.99 -0.29 0.20 0.00 0.85 -0.81 107.32 104.67 1si5 s GLY 521 Ca 0.31 -1.33 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 1si5 s GLY 521 CO 0.21 -1.12 0.06 -0.56 0.00 0.00 0.00 173.10 171.69 1si5 s SER 522 N -3.08 5.01 -0.57 1.64 0.01 -0.39 -0.33 113.70 115.99 1si5 s SER 522 Ca 0.29 -0.75 -0.26 0.00 1.31 0.00 0.00 55.95 56.54 1si5 s SER 522 Cb 0.05 -1.85 -0.07 0.00 0.21 0.00 0.00 66.02 64.36 1si5 s SER 522 CO 0.08 -0.18 2.28 -0.22 0.41 0.00 0.00 173.24 175.60 1si5 s LEU 523 N 1.47 3.31 0.05 2.44 2.96 -0.86 -0.34 118.68 127.70 1si5 s LEU 523 Ca 0.02 0.74 0.23 0.00 -0.22 0.00 0.00 54.13 54.90 1si5 s LEU 523 Cb -0.17 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.05 1si5 s LEU 523 CO 0.01 -2.89 1.03 2.30 -1.32 0.00 0.00 176.35 175.48 1si5 n ILE 524 N 7.92 0.17 -4.07 6.68 -5.35 -0.26 -2.55 119.36 121.90 1si5 n ILE 524 Ca 0.35 -0.24 -0.12 0.00 -0.27 0.00 0.00 62.75 62.46 1si5 n ILE 524 Cb 0.53 0.21 -0.05 0.00 -1.74 0.00 0.00 39.64 38.59 1si5 n ILE 524 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1si5 s LYS 525 N -3.19 1.70 0.48 6.28 -0.14 -1.14 -4.71 119.74 119.02 1si5 s LYS 525 Ca 0.04 -1.56 0.33 0.00 -1.36 0.00 0.00 55.97 53.42 1si5 s LYS 525 Cb 0.14 0.44 1.70 0.00 -1.68 0.00 0.00 37.83 38.43 1si5 s LYS 525 CO 0.80 -0.69 2.00 0.93 -0.76 0.00 0.00 175.35 177.62 1si5 h GLU 526 N 2.22 0.00 0.00 1.68 3.07 -1.93 -2.95 114.58 116.67 1si5 h GLU 526 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1si5 h GLU 526 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1si5 h GLU 526 CO 0.39 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 178.43 1si5 n SER 527 N -2.68 0.73 -4.14 1.42 7.64 -1.26 0.12 113.62 115.45 1si5 n SER 527 Ca -0.02 -1.34 -0.25 0.00 1.01 0.00 0.00 58.87 58.28 1si5 n SER 527 Cb 0.10 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.14 1si5 n SER 527 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1si5 s TRP 528 N -0.34 1.57 -0.15 1.43 0.52 -1.11 0.77 118.94 121.63 1si5 s TRP 528 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 55.76 1si5 s TRP 528 Cb 0.00 -1.04 0.03 0.00 -1.15 0.00 0.00 33.47 31.31 1si5 s TRP 528 CO 0.00 -0.09 -0.12 0.08 0.02 0.00 0.00 176.95 176.85 1si5 s VAL 529 N -0.20 1.44 -0.14 4.03 1.01 -0.45 -1.10 120.40 125.00 1si5 s VAL 529 Ca 0.02 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 1si5 s VAL 529 Cb -0.09 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1si5 s VAL 529 CO 0.01 0.37 0.84 -0.22 0.00 0.00 0.00 175.10 176.09 1si5 s LEU 530 N 1.53 4.22 0.00 3.92 2.96 0.54 -1.60 118.68 130.24 1si5 s LEU 530 Ca 0.04 1.24 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 1si5 s LEU 530 Cb -0.13 -3.26 0.00 0.00 0.50 0.00 0.00 46.19 43.29 1si5 s LEU 530 CO -0.10 -0.35 0.00 1.07 -1.32 0.00 0.00 176.35 175.65 1si5 n THR 531 N 4.51 0.00 -4.39 3.68 5.66 -0.54 -1.26 114.28 121.94 1si5 n THR 531 Ca 0.04 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.76 1si5 n THR 531 Cb 0.49 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.15 1si5 n THR 531 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1si5 s ALA 532 N -1.61 2.53 0.17 1.79 0.00 -1.26 -2.16 121.76 121.21 1si5 s ALA 532 Ca 0.00 -1.54 -0.15 0.00 0.00 0.00 0.00 51.96 50.28 1si5 s ALA 532 Cb 0.00 -0.41 0.07 0.00 0.00 0.00 0.00 23.12 22.78 1si5 s ALA 532 CO 0.00 0.49 1.80 -0.09 0.00 0.00 0.00 175.76 177.96 1si5 h ARG 533 N 3.48 0.50 0.00 0.00 9.65 0.18 -2.47 114.38 125.73 1si5 h ARG 533 Ca -0.48 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1si5 h ARG 533 Cb 1.19 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1si5 h ARG 533 CO 0.45 0.33 0.01 1.04 2.80 0.00 0.00 179.97 184.60 1si5 n GLN 534 N -4.85 0.00 -0.20 0.20 3.00 -1.26 -2.35 117.38 111.92 1si5 n GLN 534 Ca 0.02 0.07 0.09 0.00 -0.01 0.00 0.00 57.00 57.17 1si5 n GLN 534 Cb 0.08 -1.51 0.25 0.00 0.00 0.00 0.00 30.24 29.05 1si5 n GLN 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1si5 s PHE 536 N -1.46 1.03 0.25 0.00 0.40 -0.99 -4.94 117.98 112.27 1si5 s PHE 536 Ca 0.33 -1.77 -0.05 0.00 -0.60 0.00 0.00 56.93 54.84 1si5 s PHE 536 Cb 0.18 -1.18 0.29 0.00 0.51 0.00 0.00 43.02 42.82 1si5 s PHE 536 CO 0.24 -0.82 1.85 -1.35 0.70 0.00 0.00 175.22 175.84 1si5 h PRO 537 N 7.08 1.12 -6.43 0.24 0.11 -1.87 -3.44 132.00 128.82 1si5 h PRO 537 Ca 0.02 -0.16 -0.62 0.00 0.11 0.00 0.00 66.00 65.35 1si5 h PRO 537 Cb 0.96 -0.21 -0.14 0.00 0.11 0.00 0.00 31.00 31.73 1si5 h PRO 537 CO 0.33 0.86 -0.73 -1.54 -0.21 0.00 0.00 178.00 176.71 1si5 s SER 538 N -6.36 4.12 -0.08 -2.05 1.04 -1.26 -5.04 113.70 104.07 1si5 s SER 538 Ca -0.12 -0.66 0.13 0.00 0.48 0.00 0.00 55.95 55.78 1si5 s SER 538 Cb 0.16 -0.64 0.51 0.00 0.10 0.00 0.00 66.02 66.16 1si5 s SER 538 CO 0.82 0.09 1.37 0.54 0.98 0.00 0.00 173.24 177.04 1si5 n ARG 539 N -0.08 2.95 -3.75 4.02 1.74 -1.26 -4.88 116.66 115.41 1si5 n ARG 539 Ca -0.10 -2.02 -0.38 0.00 -0.77 0.00 0.00 57.85 54.59 1si5 n ARG 539 Cb 0.56 -1.72 -0.12 0.00 -1.02 0.00 0.00 32.46 30.16 1si5 n ARG 539 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1si5 s ASP 540 N -0.77 5.25 0.44 0.55 -4.77 -1.26 -4.98 116.67 111.12 1si5 s ASP 540 Ca 0.36 -0.91 0.29 0.00 -3.30 0.00 0.00 52.55 48.98 1si5 s ASP 540 Cb 0.23 -1.88 1.38 0.00 -1.09 0.00 0.00 42.92 41.56 1si5 s ASP 540 CO 0.17 -0.26 1.65 -0.07 0.70 0.00 0.00 175.17 177.36 1si5 h LEU 541 N 8.24 0.27 -1.44 2.11 3.38 -1.89 -1.03 115.31 124.95 1si5 h LEU 541 Ca -0.28 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1si5 h LEU 541 Cb 1.11 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1si5 h LEU 541 CO 0.61 -0.13 0.02 0.29 0.09 0.00 0.00 178.44 179.31 1si5 n LYS 542 N -4.66 0.14 0.00 1.13 4.01 -1.26 -0.87 118.16 116.64 1si5 n LYS 542 Ca 0.35 0.64 0.15 0.00 -0.51 0.00 0.00 58.31 58.94 1si5 n LYS 542 Cb 1.35 -1.98 0.74 0.00 -0.51 0.00 0.00 35.03 34.63 1si5 n LYS 542 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1si5 n ASP 543 N -2.26 0.05 -4.38 4.39 8.00 -0.39 -4.94 116.55 117.02 1si5 n ASP 543 Ca -0.01 -0.18 -0.25 0.00 0.71 0.00 0.00 54.79 55.05 1si5 n ASP 543 Cb 0.05 -0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 40.77 1si5 n ASP 543 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1si5 s TYR 544 N -2.57 2.11 0.14 1.24 1.51 -0.05 -1.75 117.35 117.98 1si5 s TYR 544 Ca 0.28 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 55.89 1si5 s TYR 544 Cb 0.20 -1.07 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1si5 s TYR 544 CO 0.47 0.39 0.17 -1.21 -1.11 0.00 0.00 175.55 174.26 1si5 s GLU 545 N -2.52 1.02 -0.08 -0.62 2.02 -1.15 -4.18 118.70 113.20 1si5 s GLU 545 Ca 0.17 -1.27 -0.01 0.00 0.02 0.00 0.00 54.97 53.87 1si5 s GLU 545 Cb -0.08 0.31 0.03 0.00 0.10 0.00 0.00 34.13 34.49 1si5 s GLU 545 CO 0.08 -0.33 -0.01 0.00 0.02 0.00 0.00 175.26 175.01 1si5 s ALA 546 N -3.99 0.82 -0.22 5.21 0.00 -0.55 -2.15 121.76 120.88 1si5 s ALA 546 Ca 0.19 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 1si5 s ALA 546 Cb 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1si5 s ALA 546 CO -0.00 -0.44 0.20 -1.58 0.00 0.00 0.00 175.76 173.93 1si5 s TRP 547 N 1.90 3.36 0.30 0.00 0.52 -0.89 -1.45 118.94 122.68 1si5 s TRP 547 Ca 0.05 0.34 0.10 0.00 0.02 0.00 0.00 56.10 56.60 1si5 s TRP 547 Cb -0.12 -2.29 -0.05 0.00 -1.15 0.00 0.00 33.47 29.86 1si5 s TRP 547 CO -0.06 0.12 -0.03 -0.51 0.02 0.00 0.00 176.95 176.50 1si5 s LEU 548 N 0.88 3.01 -1.76 2.99 2.01 0.36 -1.80 118.68 124.38 1si5 s LEU 548 Ca 0.10 -0.84 0.00 0.00 0.01 0.00 0.00 54.13 53.40 1si5 s LEU 548 Cb -0.13 -1.48 0.00 0.00 0.01 0.00 0.00 46.19 44.59 1si5 s LEU 548 CO 0.03 -0.09 0.00 0.61 1.01 0.00 0.00 176.35 177.91 1si5 n GLY 549 N -0.88 -0.33 3.75 -3.19 0.00 -1.26 -1.46 105.19 101.81 1si5 n GLY 549 Ca -0.05 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1si5 n GLY 549 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1si5 s ILE 550 N -3.00 4.21 -0.11 -0.61 -4.36 -1.26 -3.55 121.20 112.52 1si5 s ILE 550 Ca 0.00 -1.18 -0.02 0.00 -0.26 0.00 0.00 60.65 59.19 1si5 s ILE 550 Cb 0.00 -3.13 -0.06 0.00 1.25 0.00 0.00 42.46 40.52 1si5 s ILE 550 CO 0.00 -0.09 -0.11 1.57 0.24 0.00 0.00 174.94 176.54 1si5 n HIS 551 N -0.21 0.00 -2.46 1.37 -0.00 -1.26 -4.60 115.22 108.06 1si5 n HIS 551 Ca -0.09 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.34 1si5 n HIS 551 Cb 0.55 -0.41 -0.01 0.00 -0.00 0.00 0.00 29.99 30.12 1si5 n HIS 551 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1si5 s ASP 552 N -5.42 6.35 0.13 0.26 2.15 -1.26 -1.13 116.67 117.75 1si5 s ASP 552 Ca -0.15 1.17 0.10 0.00 0.43 0.00 0.00 52.55 54.09 1si5 s ASP 552 Cb 0.05 -2.35 -0.16 0.00 -0.30 0.00 0.00 42.92 40.16 1si5 s ASP 552 CO 0.23 -0.61 1.22 1.62 -0.17 0.00 0.00 175.17 177.45 1si5 h VAL 553 N 0.35 1.41 -0.54 1.11 3.04 -1.33 -2.99 116.25 117.30 1si5 h VAL 553 Ca -0.46 -3.06 0.00 0.00 -1.01 0.00 0.00 66.70 62.17 1si5 h VAL 553 Cb 1.19 2.69 0.00 0.00 -2.01 0.00 0.00 31.29 33.16 1si5 h VAL 553 CO 0.62 0.80 0.00 1.41 -1.01 0.00 0.00 177.57 179.39 1si5 n HIS 554 N -3.27 0.72 -2.04 3.17 8.25 -1.26 -4.89 115.22 115.89 1si5 n HIS 554 Ca -0.02 -0.36 -0.19 0.00 -0.26 0.00 0.00 57.72 56.89 1si5 n HIS 554 Cb 0.91 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.98 1si5 n HIS 554 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1si5 n GLY 555 N 1.50 0.52 0.41 -1.41 0.00 -1.13 -4.93 105.19 100.14 1si5 n GLY 555 Ca 0.21 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1si5 n GLY 555 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1si5 h ARG 556 N 0.00 -0.62 -0.00 1.61 3.08 -1.92 -1.97 114.38 114.56 1si5 h ARG 556 Ca -0.44 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1si5 h ARG 556 Cb 1.31 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1si5 h ARG 556 CO 0.56 -0.41 -0.19 0.41 -1.07 0.00 0.00 179.97 179.27 1si5 n GLY 557 N -1.46 -1.16 0.66 0.04 0.00 -1.26 -4.04 105.19 97.96 1si5 n GLY 557 Ca -0.07 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1si5 n GLY 557 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1si5 n ASP 558 N -1.23 1.79 -0.42 1.61 8.00 -0.75 -4.61 116.55 120.94 1si5 n ASP 558 Ca 0.10 -2.13 0.32 0.00 0.71 0.00 0.00 54.79 53.79 1si5 n ASP 558 Cb 0.31 -0.34 0.50 0.00 -0.02 0.00 0.00 41.12 41.57 1si5 n ASP 558 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1si5 n GLU 559 N 0.18 0.00 0.00 -1.24 1.02 -1.21 -0.53 120.64 118.87 1si5 n GLU 559 Ca 0.08 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1si5 n GLU 559 Cb 0.35 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1si5 n GLU 559 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1si5 n LYS 560 N -3.15 1.27 -0.23 3.49 -0.00 -1.26 -4.74 118.16 113.54 1si5 n LYS 560 Ca 0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.50 1si5 n LYS 560 Cb 1.25 -0.95 0.04 0.00 -0.00 0.00 0.00 35.03 35.37 1si5 n LYS 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1si5 s LYS 562 N -5.27 4.16 -0.13 0.00 -2.85 -0.84 -4.68 119.74 110.12 1si5 s LYS 562 Ca -0.12 1.60 0.01 0.00 -1.00 0.00 0.00 55.97 56.46 1si5 s LYS 562 Cb 0.14 -2.60 0.02 0.00 -2.06 0.00 0.00 37.83 33.32 1si5 s LYS 562 CO 0.84 -0.17 -0.17 -0.65 0.10 0.00 0.00 175.35 175.30 1si5 s GLN 563 N -2.40 2.46 -0.25 1.78 -0.21 -0.53 -4.98 119.66 115.53 1si5 s GLN 563 Ca 0.57 -0.64 -0.07 0.00 0.02 0.00 0.00 55.36 55.24 1si5 s GLN 563 Cb -0.24 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 1si5 s GLN 563 CO 0.31 -0.11 0.05 0.54 -2.12 0.00 0.00 175.29 173.95 1si5 s VAL 564 N 1.11 4.09 -0.07 1.09 0.11 -1.26 -0.48 120.40 124.99 1si5 s VAL 564 Ca -0.03 -0.28 0.04 0.00 -2.93 0.00 0.00 61.98 58.78 1si5 s VAL 564 Cb -0.14 -2.92 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 1si5 s VAL 564 CO -0.05 0.33 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.10 1si5 s LEU 565 N 1.58 1.93 0.96 2.54 1.43 -0.53 -4.96 118.68 121.62 1si5 s LEU 565 Ca 0.06 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 1si5 s LEU 565 Cb -0.15 -1.12 0.17 0.00 0.03 0.00 0.00 46.19 45.12 1si5 s LEU 565 CO 0.02 0.14 1.09 0.20 0.23 0.00 0.00 176.35 178.03 1si5 s ASN 566 N 0.23 2.84 -0.25 2.29 0.01 -1.26 -1.48 114.94 117.31 1si5 s ASN 566 Ca -0.10 1.56 -0.03 0.00 -0.71 0.00 0.00 52.86 53.58 1si5 s ASN 566 Cb -0.15 -2.22 0.02 0.00 0.41 0.00 0.00 41.25 39.31 1si5 s ASN 566 CO 0.05 -3.05 -0.04 -0.69 -1.51 0.00 0.00 177.10 171.86 1si5 s VAL 567 N -2.81 3.09 -0.18 1.60 1.01 -1.26 -0.75 120.40 121.10 1si5 s VAL 567 Ca 0.65 -0.90 0.19 0.00 0.00 0.00 0.00 61.98 61.93 1si5 s VAL 567 Cb -0.20 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 1si5 s VAL 567 CO 0.59 0.22 0.96 0.77 0.00 0.00 0.00 175.10 177.64 1si5 h SER 568 N 8.06 0.00 -5.33 3.32 4.64 -1.69 -3.46 113.55 119.09 1si5 h SER 568 Ca -0.34 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.85 1si5 h SER 568 Cb 1.12 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.12 1si5 h SER 568 CO 0.58 0.30 -0.17 -1.10 -0.87 0.00 0.00 176.83 175.58 1si5 s GLN 569 N -3.13 1.62 -0.29 4.77 -0.21 -1.17 -5.01 119.66 116.25 1si5 s GLN 569 Ca -0.01 -1.42 0.01 0.00 0.02 0.00 0.00 55.36 53.96 1si5 s GLN 569 Cb 0.09 0.45 0.18 0.00 1.00 0.00 0.00 33.01 34.73 1si5 s GLN 569 CO 0.80 -0.67 0.55 -1.17 -2.12 0.00 0.00 175.29 172.67 1si5 s LEU 570 N -3.09 -1.28 -0.11 2.90 2.96 -1.26 -2.72 118.68 116.09 1si5 s LEU 570 Ca 0.26 0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 54.65 1si5 s LEU 570 Cb 0.00 1.88 -0.03 0.00 0.50 0.00 0.00 46.19 48.54 1si5 s LEU 570 CO 0.12 -0.28 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.15 1si5 s VAL 571 N 2.78 4.02 0.10 1.68 1.01 -0.57 -4.97 120.40 124.45 1si5 s VAL 571 Ca 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1si5 s VAL 571 Cb -0.14 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1si5 s VAL 571 CO -0.22 0.56 0.27 -0.31 0.00 0.00 0.00 175.10 175.40 1si5 s TYR 572 N -0.41 3.50 0.93 5.22 2.02 -1.26 -1.27 117.35 126.07 1si5 s TYR 572 Ca 0.07 0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 56.95 1si5 s TYR 572 Cb -0.12 -1.80 0.20 0.00 -0.40 0.00 0.00 41.96 39.84 1si5 s TYR 572 CO 0.02 0.53 1.26 0.20 -1.57 0.00 0.00 175.55 176.00 1si5 s GLY 573 N -2.65 1.80 0.00 0.71 0.00 -0.61 -4.96 107.32 101.61 1si5 s GLY 573 Ca 0.36 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1si5 s GLY 573 CO 0.27 -0.70 0.00 -1.05 0.00 0.00 0.00 173.10 171.62 1si5 n PRO 574 N -3.59 2.45 0.00 2.90 -0.02 -1.26 -4.92 135.00 130.55 1si5 n PRO 574 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1si5 n PRO 574 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 1si5 n PRO 574 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1si5 n GLU 575 N 0.00 0.00 -0.39 -0.52 -0.58 -1.26 -4.29 120.64 113.60 1si5 n GLU 575 Ca 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 1si5 n GLU 575 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 1si5 n GLU 575 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1si5 n GLY 576 N 1.98 1.87 0.20 0.62 0.00 -1.26 -3.78 105.19 104.82 1si5 n GLY 576 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 1si5 n GLY 576 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1si5 n SER 577 N 3.03 1.89 -0.14 1.61 3.41 -1.26 -5.00 113.62 117.16 1si5 n SER 577 Ca 0.18 0.16 -0.02 0.00 -0.26 0.00 0.00 58.87 58.93 1si5 n SER 577 Cb 0.31 -0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 1si5 n SER 577 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1si5 n ASP 578 N -3.78 -3.81 -4.90 4.04 8.00 -1.25 -4.91 116.55 109.95 1si5 n ASP 578 Ca -0.46 0.05 -0.29 0.00 0.71 0.00 0.00 54.79 54.80 1si5 n ASP 578 Cb 0.87 -1.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.47 1si5 n ASP 578 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1si5 s LEU 579 N -0.42 4.09 -0.12 0.64 1.43 -1.26 0.19 118.68 123.23 1si5 s LEU 579 Ca 0.00 0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 53.75 1si5 s LEU 579 Cb 0.00 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.70 1si5 s LEU 579 CO 0.00 -0.16 0.31 0.68 0.23 0.00 0.00 176.35 177.41 1si5 s VAL 580 N -2.01 -0.01 -0.30 -1.59 -7.23 -0.92 -1.58 120.40 106.77 1si5 s VAL 580 Ca 0.44 0.02 -0.10 0.00 -1.81 0.00 0.00 61.98 60.54 1si5 s VAL 580 Cb -0.11 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 1si5 s VAL 580 CO 0.28 0.01 0.16 -0.76 -0.31 0.00 0.00 175.10 174.48 1si5 s LEU 581 N 0.39 4.06 -0.06 1.32 1.43 -0.40 -1.47 118.68 123.96 1si5 s LEU 581 Ca -0.02 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.50 1si5 s LEU 581 Cb -0.04 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1si5 s LEU 581 CO -0.02 -0.14 0.72 -0.04 0.23 0.00 0.00 176.35 177.10 1si5 s MET 582 N 1.67 4.45 -0.14 1.70 -1.94 -0.63 -1.51 119.30 122.89 1si5 s MET 582 Ca 0.06 0.92 -0.13 0.00 -1.71 0.00 0.00 55.69 54.83 1si5 s MET 582 Cb -0.17 -3.45 -0.05 0.00 2.01 0.00 0.00 34.83 33.18 1si5 s MET 582 CO 0.08 0.06 0.29 0.21 -0.01 0.00 0.00 175.02 175.64 1si5 s LYS 583 N 0.80 4.13 0.32 2.03 2.36 -1.10 -1.34 119.74 126.93 1si5 s LYS 583 Ca 0.39 0.10 -0.14 0.00 -2.55 0.00 0.00 55.97 53.77 1si5 s LYS 583 Cb -0.18 -3.38 -0.08 0.00 -1.05 0.00 0.00 37.83 33.14 1si5 s LYS 583 CO 0.19 0.35 0.72 -0.51 1.55 0.00 0.00 175.35 177.65 1si5 s LEU 584 N 0.13 4.05 0.03 5.43 1.43 0.23 -2.17 118.68 127.81 1si5 s LEU 584 Ca 0.17 1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 1si5 s LEU 584 Cb -0.13 -4.03 -0.08 0.00 0.03 0.00 0.00 46.19 41.98 1si5 s LEU 584 CO 0.05 -0.21 1.22 0.00 0.23 0.00 0.00 176.35 177.64 1si5 h ALA 585 N 2.16 -1.08 -3.61 4.21 0.00 -1.27 -3.42 119.26 116.25 1si5 h ALA 585 Ca -0.48 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 53.66 1si5 h ALA 585 Cb 1.18 0.28 -0.18 0.00 0.00 0.00 0.00 17.79 19.06 1si5 h ALA 585 CO 0.66 -1.05 -0.79 0.50 0.00 0.00 0.00 179.25 178.57 1si5 s ARG 586 N -4.16 1.85 0.63 0.00 3.52 -1.26 -4.93 118.95 114.60 1si5 s ARG 586 Ca -0.08 -1.18 -0.18 0.00 -0.13 0.00 0.00 55.73 54.17 1si5 s ARG 586 Cb 0.01 -2.14 -0.03 0.00 -1.56 0.00 0.00 34.95 31.23 1si5 s ARG 586 CO 0.24 0.48 1.03 -0.35 -0.81 0.00 0.00 175.30 175.88 1si5 n PRO 587 N 0.69 0.88 -2.62 5.12 -0.04 -1.26 -4.95 135.00 132.82 1si5 n PRO 587 Ca -0.15 0.35 -0.41 0.00 -0.04 0.00 0.00 63.50 63.25 1si5 n PRO 587 Cb 0.53 -2.25 -0.04 0.00 -0.04 0.00 0.00 33.50 31.70 1si5 n PRO 587 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1si5 s ALA 588 N -1.52 3.31 -0.64 0.55 0.00 0.33 -5.00 121.76 118.80 1si5 s ALA 588 Ca 0.78 0.70 -0.24 0.00 0.00 0.00 0.00 51.96 53.20 1si5 s ALA 588 Cb -0.40 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.46 1si5 s ALA 588 CO 0.45 -0.12 1.02 0.08 0.00 0.00 0.00 175.76 177.20 1si5 s VAL 589 N -0.09 4.22 0.29 0.00 1.01 -1.26 -4.85 120.40 119.72 1si5 s VAL 589 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1si5 s VAL 589 Cb -0.26 -4.69 -0.11 0.00 0.00 0.00 0.00 36.38 31.31 1si5 s VAL 589 CO 0.32 -1.43 1.59 -0.76 0.00 0.00 0.00 175.10 174.82 1si5 s LEU 590 N 4.38 4.34 0.00 3.92 1.43 -1.26 -4.74 118.68 126.75 1si5 s LEU 590 Ca 0.27 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.32 1si5 s LEU 590 Cb -0.14 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1si5 s LEU 590 CO 0.14 -0.91 0.00 -0.90 0.23 0.00 0.00 176.35 174.91 1si5 n ASP 591 N 2.15 0.00 0.24 2.29 5.75 -0.31 -4.96 116.55 121.70 1si5 n ASP 591 Ca 0.08 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.98 1si5 n ASP 591 Cb 0.37 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 40.99 1si5 n ASP 591 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1si5 h ASP 592 N 0.00 0.00 0.00 -1.12 5.19 -2.00 -3.33 116.42 115.16 1si5 h ASP 592 Ca 0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1si5 h ASP 592 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1si5 h ASP 592 CO 0.00 0.16 -1.63 0.49 -3.12 0.00 0.00 179.24 175.13 1si5 n PHE 593 N -3.31 0.00 -5.06 4.55 3.72 -1.26 -4.94 117.46 111.15 1si5 n PHE 593 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1si5 n PHE 593 Cb 0.39 -0.37 -0.17 0.00 -0.94 0.00 0.00 39.48 38.39 1si5 n PHE 593 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1si5 s VAL 594 N -2.67 1.79 0.31 -4.37 1.01 -1.25 -4.03 120.40 111.19 1si5 s VAL 594 Ca -0.05 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 1si5 s VAL 594 Cb 0.06 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1si5 s VAL 594 CO 0.50 0.50 0.56 -0.94 0.00 0.00 0.00 175.10 175.72 1si5 s SER 595 N 0.15 0.26 0.22 3.32 1.04 -0.93 -1.16 113.70 116.60 1si5 s SER 595 Ca -0.10 -1.15 0.10 0.00 0.48 0.00 0.00 55.95 55.29 1si5 s SER 595 Cb -0.15 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1si5 s SER 595 CO 0.05 -1.33 -0.13 0.42 0.98 0.00 0.00 173.24 173.23 1si5 s THR 596 N -3.32 2.92 0.01 2.02 -4.23 -1.26 -3.16 115.64 108.62 1si5 s THR 596 Ca 0.23 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 58.86 1si5 s THR 596 Cb -0.02 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1si5 s THR 596 CO 0.13 -0.22 -0.19 -0.51 -0.54 0.00 0.00 174.62 173.29 1si5 s ILE 597 N -1.99 2.68 0.74 2.99 2.07 -1.06 -4.87 121.20 121.77 1si5 s ILE 597 Ca 0.26 -1.09 -0.11 0.00 -1.41 0.00 0.00 60.65 58.31 1si5 s ILE 597 Cb -0.07 -2.07 0.04 0.00 0.13 0.00 0.00 42.46 40.48 1si5 s ILE 597 CO 0.15 0.44 1.07 -1.81 -1.91 0.00 0.00 174.94 172.88 1si5 s ASP 598 N -1.13 4.93 0.08 4.50 1.01 -1.25 -4.59 116.67 120.22 1si5 s ASP 598 Ca 0.13 1.59 0.05 0.00 0.71 0.00 0.00 52.55 55.03 1si5 s ASP 598 Cb -0.10 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 1si5 s ASP 598 CO 0.03 -1.73 -0.04 -0.76 0.21 0.00 0.00 175.17 172.88 1si5 s LEU 599 N -5.70 3.30 1.10 1.23 1.43 -1.26 -2.39 118.68 116.39 1si5 s LEU 599 Ca 0.59 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.30 1si5 s LEU 599 Cb -0.15 -2.03 0.24 0.00 0.03 0.00 0.00 46.19 44.28 1si5 s LEU 599 CO 0.55 0.19 1.13 -2.16 0.23 0.00 0.00 176.35 176.29 1si5 s PRO 600 N -2.15 -0.44 -0.16 1.29 0.04 -1.26 -4.98 135.00 127.34 1si5 s PRO 600 Ca 0.23 0.07 -0.16 0.00 0.04 0.00 0.00 61.00 61.19 1si5 s PRO 600 Cb -0.11 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1si5 s PRO 600 CO 0.15 -3.22 0.37 -0.80 0.04 0.00 0.00 177.00 173.55 1si5 s ASN 601 N -3.89 6.50 -0.21 6.66 0.01 -1.26 -4.89 114.94 117.87 1si5 s ASN 601 Ca 0.69 0.59 -0.02 0.00 -0.71 0.00 0.00 52.86 53.41 1si5 s ASN 601 Cb -0.12 -2.22 -0.07 0.00 0.41 0.00 0.00 41.25 39.25 1si5 s ASN 601 CO 0.56 0.03 0.69 -1.22 -1.51 0.00 0.00 177.10 175.64 1si5 n TYR 602 N 3.84 0.00 0.00 2.20 4.01 -1.26 -0.08 117.16 125.88 1si5 n TYR 602 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1si5 n TYR 602 Cb 0.52 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1si5 n TYR 602 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1si5 n GLY 603 N 2.24 1.18 3.67 2.72 0.00 -1.14 -5.03 105.19 108.83 1si5 n GLY 603 Ca 0.14 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.68 1si5 n GLY 603 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1si5 n SER 604 N 0.00 3.04 -4.49 1.61 7.64 0.89 -4.96 113.62 117.35 1si5 n SER 604 Ca 0.00 1.04 -0.41 0.00 1.01 0.00 0.00 58.87 60.51 1si5 n SER 604 Cb 0.00 -1.36 -0.11 0.00 -1.01 0.00 0.00 64.21 61.73 1si5 n SER 604 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1si5 s THR 605 N 2.34 5.15 -0.15 0.44 -4.23 -1.26 -4.92 115.64 113.00 1si5 s THR 605 Ca 0.86 -0.38 -0.27 0.00 -1.18 0.00 0.00 61.69 60.73 1si5 s THR 605 Cb -0.74 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 69.38 1si5 s THR 605 CO 0.46 -0.08 0.89 -0.63 -0.54 0.00 0.00 174.62 174.72 1si5 s ILE 606 N 1.69 4.85 0.61 2.99 -1.09 -1.26 -5.05 121.20 123.94 1si5 s ILE 606 Ca 0.05 1.76 -0.16 0.00 -2.23 0.00 0.00 60.65 60.07 1si5 s ILE 606 Cb -0.18 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1si5 s ILE 606 CO 0.10 0.01 1.09 -2.16 -1.23 0.00 0.00 174.94 172.75 1si5 s PRO 607 N 2.14 3.12 0.68 2.79 0.04 -1.26 -5.00 135.00 137.51 1si5 s PRO 607 Ca 0.41 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.66 1si5 s PRO 607 Cb -0.17 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1si5 s PRO 607 CO 0.14 -0.99 1.16 -1.21 0.04 0.00 0.00 177.00 176.14 1si5 s GLU 608 N -3.90 2.54 0.00 4.56 2.02 -1.26 -3.22 118.70 119.44 1si5 s GLU 608 Ca 0.67 1.61 0.00 0.00 0.02 0.00 0.00 54.97 57.27 1si5 s GLU 608 Cb -0.19 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1si5 s GLU 608 CO 0.36 -1.49 0.00 1.63 0.02 0.00 0.00 175.26 175.78 1si5 n LYS 609 N -2.42 -0.56 -2.22 1.61 5.02 0.23 -4.95 118.16 114.86 1si5 n LYS 609 Ca 0.12 0.14 -0.41 0.00 -2.02 0.00 0.00 58.31 56.14 1si5 n LYS 609 Cb 0.51 -3.71 -0.03 0.00 -0.02 0.00 0.00 35.03 31.78 1si5 n LYS 609 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1si5 s THR 610 N -1.97 3.10 0.04 -0.18 2.01 -1.20 -4.74 115.64 112.70 1si5 s THR 610 Ca 0.00 0.99 -0.30 0.00 0.31 0.00 0.00 61.69 62.69 1si5 s THR 610 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1si5 s THR 610 CO 0.00 0.19 0.96 -0.55 -0.69 0.00 0.00 174.62 174.53 1si5 s SER 611 N -0.08 7.40 0.06 3.53 0.15 -1.26 -0.98 113.70 122.52 1si5 s SER 611 Ca 0.53 1.69 0.01 0.00 0.70 0.00 0.00 55.95 58.87 1si5 s SER 611 Cb -0.37 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.34 1si5 s SER 611 CO 0.43 -0.18 -0.05 0.00 1.20 0.00 0.00 173.24 174.63 1si5 s SER 613 N -2.50 2.11 0.07 0.00 0.01 0.80 -0.85 113.70 113.34 1si5 s SER 613 Ca 0.02 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.95 1si5 s SER 613 Cb 0.01 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1si5 s SER 613 CO -0.05 0.18 -0.01 0.68 0.41 0.00 0.00 173.24 174.46 1si5 s VAL 614 N -0.55 3.97 0.05 3.43 -7.23 -0.82 -1.01 120.40 118.24 1si5 s VAL 614 Ca 0.06 -0.93 0.06 0.00 -1.81 0.00 0.00 61.98 59.36 1si5 s VAL 614 Cb -0.07 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 1si5 s VAL 614 CO 0.00 0.18 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.50 1si5 s TYR 615 N -1.24 1.38 -0.18 2.82 1.51 -1.25 -2.11 117.35 118.28 1si5 s TYR 615 Ca 0.24 -0.38 -0.35 0.00 -1.01 0.00 0.00 57.07 55.57 1si5 s TYR 615 Cb -0.12 -0.81 0.14 0.00 -0.11 0.00 0.00 41.96 41.06 1si5 s TYR 615 CO 0.16 0.07 1.18 0.20 -1.11 0.00 0.00 175.55 176.05 1si5 s GLY 616 N -1.34 -0.31 -0.03 0.71 0.00 -0.37 -4.63 107.32 101.36 1si5 s GLY 616 Ca 0.02 1.55 0.21 0.00 0.00 0.00 0.00 44.72 46.51 1si5 s GLY 616 CO 0.02 0.52 1.55 0.79 0.00 0.00 0.00 173.10 175.98 1si5 n TRP 617 N -0.10 1.09 0.00 1.90 8.01 -1.26 -2.41 117.44 124.67 1si5 n TRP 617 Ca -0.00 -0.51 0.00 0.00 -1.31 0.00 0.00 57.50 55.68 1si5 n TRP 617 Cb 0.58 -0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.83 1si5 n TRP 617 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1si5 n GLY 618 N 1.54 -2.09 3.70 6.99 0.00 -1.21 -4.85 105.19 109.27 1si5 n GLY 618 Ca 0.25 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1si5 n GLY 618 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1si5 n TYR 619 N -0.49 2.64 0.10 1.61 9.36 0.45 -3.61 117.16 127.21 1si5 n TYR 619 Ca 0.00 0.04 0.04 0.00 3.32 0.00 0.00 57.90 61.30 1si5 n TYR 619 Cb 0.00 -2.66 -0.05 0.00 -0.63 0.00 0.00 39.34 36.00 1si5 n TYR 619 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1si5 n THR 620 N 4.03 0.00 -0.91 2.97 -2.24 -1.26 -1.22 114.28 115.65 1si5 n THR 620 Ca 0.17 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1si5 n THR 620 Cb 0.34 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1si5 n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1si5 n GLY 621 N 1.81 1.13 3.81 3.38 0.00 -1.26 -4.52 105.19 109.54 1si5 n GLY 621 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1si5 n GLY 621 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1si5 s LEU 622 N 0.00 3.81 0.11 0.99 1.43 -1.26 -4.98 118.68 118.78 1si5 s LEU 622 Ca 0.00 1.81 -0.15 0.00 -1.03 0.00 0.00 54.13 54.76 1si5 s LEU 622 Cb 0.00 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.62 1si5 s LEU 622 CO 0.00 -0.69 1.51 0.40 0.23 0.00 0.00 176.35 177.80 1si5 h ILE 623 N 1.46 1.28 -3.00 -0.59 2.04 -2.07 -3.39 117.51 113.24 1si5 h ILE 623 Ca -0.49 -1.15 -0.60 0.00 1.00 0.00 0.00 64.86 63.63 1si5 h ILE 623 Cb 1.21 1.32 -0.40 0.00 -0.74 0.00 0.00 36.82 38.21 1si5 h ILE 623 CO 0.60 0.37 -0.75 0.20 0.00 0.00 0.00 178.15 178.57 1si5 s ASN 624 N -6.27 3.71 0.05 1.72 0.01 -1.26 -5.11 114.94 107.79 1si5 s ASN 624 Ca -0.13 -2.27 -0.31 0.00 -0.71 0.00 0.00 52.86 49.45 1si5 s ASN 624 Cb 0.09 -0.92 -0.07 0.00 0.41 0.00 0.00 41.25 40.76 1si5 s ASN 624 CO 0.80 -0.32 1.52 -0.47 -1.51 0.00 0.00 177.10 177.12 1si5 s TYR 625 N 0.83 2.72 0.30 2.20 5.04 -1.26 -4.91 117.35 122.27 1si5 s TYR 625 Ca 0.15 0.60 0.25 0.00 -2.44 0.00 0.00 57.07 55.63 1si5 s TYR 625 Cb -0.22 -3.81 1.20 0.00 0.35 0.00 0.00 41.96 39.47 1si5 s TYR 625 CO -0.07 -3.13 1.96 0.38 -1.34 0.00 0.00 175.55 173.35 1si5 h ASP 626 N 7.88 0.00 0.00 4.32 2.03 -1.99 -3.46 116.42 125.19 1si5 h ASP 626 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 1si5 h ASP 626 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1si5 h ASP 626 CO 0.91 0.18 0.00 0.61 -1.03 0.00 0.00 179.24 179.91 1si5 n GLY 627 N -0.33 1.51 3.78 7.15 0.00 -1.26 -4.92 105.19 111.13 1si5 n GLY 627 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1si5 n GLY 627 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1si5 s LEU 628 N 0.00 4.24 0.38 0.99 1.43 -1.26 -0.81 118.68 123.65 1si5 s LEU 628 Ca 0.00 1.94 -0.27 0.00 -1.03 0.00 0.00 54.13 54.76 1si5 s LEU 628 Cb 0.00 -4.10 -0.11 0.00 0.03 0.00 0.00 46.19 42.00 1si5 s LEU 628 CO 0.00 -0.28 1.38 -0.11 0.23 0.00 0.00 176.35 177.58 1si5 n LEU 629 N 0.24 4.26 -4.26 1.79 7.94 -0.28 -4.88 117.00 121.82 1si5 n LEU 629 Ca 0.03 1.19 -0.21 0.00 -1.11 0.00 0.00 56.01 55.92 1si5 n LEU 629 Cb 0.50 -1.55 -0.12 0.00 0.53 0.00 0.00 43.42 42.78 1si5 n LEU 629 CO 0.45 -0.21 -0.48 -0.13 -1.11 0.00 0.00 177.39 175.90 1si5 s ARG 630 N -2.07 1.05 0.04 1.96 0.52 -1.01 -1.68 118.95 117.76 1si5 s ARG 630 Ca 0.56 -1.17 0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1si5 s ARG 630 Cb -0.51 -1.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.80 1si5 s ARG 630 CO 0.62 0.25 -0.17 0.54 0.02 0.00 0.00 175.30 176.56 1si5 s VAL 631 N -1.56 1.34 0.06 3.52 0.11 0.10 -1.24 120.40 122.74 1si5 s VAL 631 Ca 0.06 -1.07 0.05 0.00 -2.93 0.00 0.00 61.98 58.09 1si5 s VAL 631 Cb -0.08 -1.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.55 1si5 s VAL 631 CO 0.04 0.10 -0.13 0.00 -3.33 0.00 0.00 175.10 171.78 1si5 s ALA 632 N -0.81 1.06 -0.11 1.54 0.00 -0.90 -1.61 121.76 120.94 1si5 s ALA 632 Ca 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 1si5 s ALA 632 Cb -0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1si5 s ALA 632 CO 0.01 0.15 0.04 -1.01 0.00 0.00 0.00 175.76 174.95 1si5 s HIS 633 N -1.19 3.26 0.10 0.00 3.76 -1.26 -1.95 115.29 118.00 1si5 s HIS 633 Ca -0.03 0.23 0.02 0.00 -0.15 0.00 0.00 55.06 55.13 1si5 s HIS 633 Cb -0.09 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 1si5 s HIS 633 CO 0.02 0.47 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.80 1si5 s LEU 634 N -0.71 2.51 -0.06 0.89 1.43 -0.03 -4.53 118.68 118.18 1si5 s LEU 634 Ca 0.12 -1.01 0.05 0.00 -1.03 0.00 0.00 54.13 52.26 1si5 s LEU 634 Cb -0.12 -0.07 -0.01 0.00 0.03 0.00 0.00 46.19 46.02 1si5 s LEU 634 CO 0.02 -0.47 -0.22 -0.31 0.23 0.00 0.00 176.35 175.61 1si5 s TYR 635 N -3.63 2.52 0.34 0.29 2.02 0.28 -0.62 117.35 118.55 1si5 s TYR 635 Ca 0.12 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 55.95 1si5 s TYR 635 Cb 0.05 -1.62 -0.11 0.00 -0.40 0.00 0.00 41.96 39.88 1si5 s TYR 635 CO -0.05 -0.12 1.52 0.42 -1.57 0.00 0.00 175.55 175.75 1si5 s ILE 636 N -0.26 2.12 0.22 2.71 -1.09 -0.15 -1.64 121.20 123.11 1si5 s ILE 636 Ca -0.00 0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1si5 s ILE 636 Cb -0.13 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.63 1si5 s ILE 636 CO 0.03 0.02 0.00 -0.04 -1.23 0.00 0.00 174.94 173.72 1si5 s MET 637 N -1.37 1.31 0.26 2.79 -1.94 0.20 -0.61 119.30 119.94 1si5 s MET 637 Ca 0.57 -1.66 -0.31 0.00 -1.71 0.00 0.00 55.69 52.58 1si5 s MET 637 Cb -0.46 -0.56 -0.12 0.00 2.01 0.00 0.00 34.83 35.70 1si5 s MET 637 CO 0.56 -0.11 1.61 0.41 -0.01 0.00 0.00 175.02 177.48 1si5 n GLY 638 N -0.40 1.32 0.38 -0.03 0.00 -1.26 -4.35 105.19 100.85 1si5 n GLY 638 Ca -0.05 0.52 0.19 0.00 0.00 0.00 0.00 46.02 46.67 1si5 n GLY 638 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1si5 h ASN 639 N 5.28 0.00 0.59 1.61 2.35 -1.96 -1.41 115.58 122.04 1si5 h ASN 639 Ca -0.46 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.25 1si5 h ASN 639 Cb 1.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 1si5 h ASN 639 CO 0.84 0.00 -0.21 1.05 -1.65 0.00 0.00 177.43 177.46 1si5 h GLU 640 N 0.00 0.00 0.00 0.81 9.09 -2.00 -2.93 114.58 119.55 1si5 h GLU 640 Ca 0.15 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.51 1si5 h GLU 640 Cb 1.04 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.13 1si5 h GLU 640 CO -0.00 0.21 -0.20 0.87 0.05 0.00 0.00 179.01 179.94 1si5 h LYS 641 N 0.00 0.00 0.00 1.06 1.57 -1.63 -3.09 116.57 114.48 1si5 h LYS 641 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1si5 h LYS 641 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1si5 h LYS 641 CO 0.03 0.20 -0.61 0.00 -0.57 0.00 0.00 179.45 178.49 1si5 n SER 643 N -2.88 0.00 -0.20 0.00 2.88 -1.17 -4.98 113.62 107.27 1si5 n SER 643 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1si5 n SER 643 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1si5 n SER 643 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1si5 n GLN 644 N 0.00 0.00 0.00 -1.46 6.02 -1.26 -5.16 117.38 115.52 1si5 n GLN 644 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1si5 n GLN 644 Cb 0.00 -0.20 0.00 0.00 1.02 0.00 0.00 30.24 31.06 1si5 n GLN 644 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1si5 n LEU 652 N -0.85 0.00 -0.02 1.08 4.77 -1.26 -5.05 117.00 115.68 1si5 n LEU 652 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1si5 n LEU 652 Cb 0.26 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 1si5 n LEU 652 CO 0.00 0.00 -0.82 0.59 -1.33 0.00 0.00 177.39 175.83 1si5 n ASN 653 N 2.00 2.09 0.13 -1.43 3.02 -1.26 -4.39 115.26 115.42 1si5 n ASN 653 Ca 0.00 0.21 0.06 0.00 -0.03 0.00 0.00 54.58 54.83 1si5 n ASN 653 Cb 0.00 -0.85 0.54 0.00 -0.61 0.00 0.00 39.78 38.86 1si5 n ASN 653 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1si5 h GLU 654 N -0.07 0.25 0.00 3.52 5.08 -2.03 -0.14 114.58 121.19 1si5 h GLU 654 Ca -0.43 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1si5 h GLU 654 Cb 1.93 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1si5 h GLU 654 CO 0.03 0.17 0.00 -1.13 -1.00 0.00 0.00 179.01 177.08 1si5 n SER 655 N -4.51 0.00 -4.63 1.42 3.41 -1.26 -4.84 113.62 103.21 1si5 n SER 655 Ca 0.00 0.26 -0.31 0.00 -0.26 0.00 0.00 58.87 58.56 1si5 n SER 655 Cb 0.09 -0.40 -0.09 0.00 -0.26 0.00 0.00 64.21 63.55 1si5 n SER 655 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1si5 s GLU 656 N -2.79 2.50 0.05 4.33 2.02 -0.07 0.28 118.70 125.02 1si5 s GLU 656 Ca 0.14 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.39 1si5 s GLU 656 Cb 0.13 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 1si5 s GLU 656 CO 0.33 0.57 -0.12 0.42 0.02 0.00 0.00 175.26 176.48 1si5 s ILE 657 N -1.14 3.22 -0.28 -1.63 1.01 0.89 -4.72 121.20 118.57 1si5 s ILE 657 Ca 0.21 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1si5 s ILE 657 Cb -0.11 -2.42 0.05 0.00 0.01 0.00 0.00 42.46 39.99 1si5 s ILE 657 CO 0.12 0.29 -0.06 0.00 0.00 0.00 0.00 174.94 175.29 1si5 s ALA 659 N 1.18 0.64 0.17 0.00 0.00 -0.36 0.59 121.76 123.99 1si5 s ALA 659 Ca -0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.62 1si5 s ALA 659 Cb -0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1si5 s ALA 659 CO -0.03 0.09 0.23 0.20 0.00 0.00 0.00 175.76 176.24 1si5 s GLY 660 N 0.23 0.75 0.33 0.00 0.00 -0.65 -0.91 107.32 107.07 1si5 s GLY 660 Ca -0.03 -1.15 -0.06 0.00 0.00 0.00 0.00 44.72 43.49 1si5 s GLY 660 CO -0.00 -1.03 0.61 0.00 0.00 0.00 0.00 173.10 172.69 1si5 s ALA 661 N -4.02 3.56 -0.52 3.20 0.00 -1.26 0.10 121.76 122.82 1si5 s ALA 661 Ca 0.22 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 1si5 s ALA 661 Cb 0.04 -2.39 0.03 0.00 0.00 0.00 0.00 23.12 20.81 1si5 s ALA 661 CO 0.03 0.13 1.16 -2.00 0.00 0.00 0.00 175.76 175.08 1si5 s GLU 662 N -3.74 3.64 0.00 0.00 2.56 -1.26 -4.60 118.70 115.30 1si5 s GLU 662 Ca 0.45 0.44 0.00 0.00 0.00 0.00 0.00 54.97 55.86 1si5 s GLU 662 Cb -0.10 -3.95 0.00 0.00 2.00 0.00 0.00 34.13 32.08 1si5 s GLU 662 CO 0.32 -1.50 0.00 1.63 -0.56 0.00 0.00 175.26 175.15 1si5 n LYS 663 N 8.07 0.00 -1.62 4.30 4.76 -1.26 -4.92 118.16 127.49 1si5 n LYS 663 Ca 0.11 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.18 1si5 n LYS 663 Cb 0.49 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.76 1si5 n LYS 663 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1si5 n ILE 664 N 0.00 4.39 -3.27 -0.18 -5.35 -1.26 -3.38 119.36 110.31 1si5 n ILE 664 Ca 0.00 -0.46 -0.45 0.00 -0.27 0.00 0.00 62.75 61.57 1si5 n ILE 664 Cb 0.00 -1.40 -0.05 0.00 -1.74 0.00 0.00 39.64 36.45 1si5 n ILE 664 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1si5 s GLY 665 N -1.47 2.01 0.07 3.28 0.00 -1.26 -4.34 107.32 105.61 1si5 s GLY 665 Ca 0.81 -2.41 -0.05 0.00 0.00 0.00 0.00 44.72 43.07 1si5 s GLY 665 CO 0.43 1.28 0.09 -1.35 0.00 0.00 0.00 173.10 173.55 1si5 s SER 666 N 3.48 0.28 0.00 1.64 1.04 -1.26 -4.68 113.70 114.20 1si5 s SER 666 Ca 0.05 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1si5 s SER 666 Cb -0.28 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1si5 s SER 666 CO 0.04 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1si5 n GLY 667 N 0.01 -1.07 3.86 7.32 0.00 -0.96 -4.62 105.19 109.72 1si5 n GLY 667 Ca -0.15 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 1si5 n GLY 667 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1si5 s PRO 668 N -1.69 3.52 0.02 1.61 0.04 -1.26 -1.56 135.00 135.68 1si5 s PRO 668 Ca 0.00 0.83 -0.00 0.00 0.04 0.00 0.00 61.00 61.87 1si5 s PRO 668 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1si5 s PRO 668 CO 0.00 -0.63 0.04 0.00 0.04 0.00 0.00 177.00 176.44 1si5 n GLU 670 N -0.04 1.26 0.00 0.00 0.00 -1.26 -0.51 120.64 120.09 1si5 n GLU 670 Ca -0.00 0.45 0.00 0.00 0.00 0.00 0.00 57.16 57.61 1si5 n GLU 670 Cb 0.04 -2.03 0.00 0.00 0.00 0.00 0.00 31.44 29.45 1si5 n GLU 670 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1si5 n GLY 671 N 2.28 3.42 0.08 -1.84 0.00 -1.25 -0.41 105.19 107.47 1si5 n GLY 671 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1si5 n GLY 671 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1si5 n ASP 672 N 0.00 0.92 -4.69 1.61 8.00 0.34 -3.35 116.55 119.39 1si5 n ASP 672 Ca 0.00 -0.75 -0.40 0.00 0.71 0.00 0.00 54.79 54.35 1si5 n ASP 672 Cb 0.00 0.55 0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1si5 n ASP 672 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1si5 n TYR 673 N -1.25 1.88 0.00 1.24 4.01 -1.25 -2.22 117.16 119.57 1si5 n TYR 673 Ca 0.06 0.49 0.00 0.00 -0.16 0.00 0.00 57.90 58.29 1si5 n TYR 673 Cb 0.35 -2.33 0.00 0.00 -0.31 0.00 0.00 39.34 37.05 1si5 n TYR 673 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1si5 n GLY 674 N 0.91 2.80 3.54 2.72 0.00 -0.19 -1.14 105.19 113.84 1si5 n GLY 674 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1si5 n GLY 674 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1si5 s GLY 675 N -1.53 1.54 0.09 -0.02 0.00 0.01 -3.97 107.32 103.43 1si5 s GLY 675 Ca 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 44.72 44.17 1si5 s GLY 675 CO 0.00 0.29 0.37 2.56 0.00 0.00 0.00 173.10 176.31 1si5 s PRO 676 N -4.89 3.67 -0.45 2.90 0.04 -1.26 -1.19 135.00 133.81 1si5 s PRO 676 Ca 0.68 0.02 -0.19 0.00 0.04 0.00 0.00 61.00 61.55 1si5 s PRO 676 Cb -0.18 -2.95 0.03 0.00 0.04 0.00 0.00 34.50 31.44 1si5 s PRO 676 CO 0.60 0.54 0.57 -1.17 0.04 0.00 0.00 177.00 177.57 1si5 s LEU 677 N -2.20 4.76 -0.11 -3.56 2.96 0.64 -3.77 118.68 117.40 1si5 s LEU 677 Ca 0.35 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1si5 s LEU 677 Cb -0.13 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1si5 s LEU 677 CO 0.20 -0.75 -0.03 0.68 -1.32 0.00 0.00 176.35 175.14 1si5 s VAL 678 N 2.53 4.02 0.09 1.68 -7.23 -0.18 -1.03 120.40 120.28 1si5 s VAL 678 Ca 0.17 -0.34 0.01 0.00 -1.81 0.00 0.00 61.98 60.01 1si5 s VAL 678 Cb -0.17 -2.71 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 1si5 s VAL 678 CO 0.15 0.56 0.03 0.00 -0.31 0.00 0.00 175.10 175.53 1si5 s GLU 680 N -2.34 2.67 0.00 0.00 2.56 -1.26 -3.03 118.70 117.30 1si5 s GLU 680 Ca 0.04 -2.56 0.00 0.00 0.00 0.00 0.00 54.97 52.45 1si5 s GLU 680 Cb 0.00 -3.79 0.00 0.00 2.00 0.00 0.00 34.13 32.34 1si5 s GLU 680 CO 0.03 -1.19 0.00 0.94 -0.56 0.00 0.00 175.26 174.48 1si5 n GLN 681 N 3.47 0.00 0.00 4.30 7.27 -1.22 -5.00 117.38 126.21 1si5 n GLN 681 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 1si5 n GLN 681 Cb 0.38 -0.08 0.00 0.00 2.41 0.00 0.00 30.24 32.95 1si5 n GLN 681 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1si5 n HIS 682 N -0.20 0.00 -0.01 3.69 8.25 -1.26 -4.87 115.22 120.82 1si5 n HIS 682 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1si5 n HIS 682 Cb 0.00 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.97 1si5 n HIS 682 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1si5 n LYS 683 N 0.00 0.68 0.00 -0.41 2.85 -1.26 -5.04 118.16 114.98 1si5 n LYS 683 Ca 0.00 0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1si5 n LYS 683 Cb 0.00 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 32.62 1si5 n LYS 683 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1si5 n MET 684 N -3.20 0.00 -2.75 -1.58 2.81 -1.26 -5.13 117.12 106.01 1si5 n MET 684 Ca -0.22 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.26 1si5 n MET 684 Cb 1.05 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.51 1si5 n MET 684 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1si5 s ARG 685 N 1.22 4.71 0.00 0.03 0.52 -1.26 -3.41 118.95 120.76 1si5 s ARG 685 Ca 0.00 1.43 0.01 0.00 -0.52 0.00 0.00 55.73 56.65 1si5 s ARG 685 Cb 0.00 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 1si5 s ARG 685 CO 0.00 0.28 -0.03 -1.64 0.02 0.00 0.00 175.30 173.93 1si5 s MET 686 N -0.22 0.24 -0.83 3.54 -1.94 -1.17 -3.89 119.30 115.03 1si5 s MET 686 Ca 0.45 -0.19 -0.25 0.00 -1.71 0.00 0.00 55.69 53.99 1si5 s MET 686 Cb -0.24 -0.17 -0.02 0.00 2.01 0.00 0.00 34.83 36.41 1si5 s MET 686 CO 0.30 0.04 1.80 0.54 -0.01 0.00 0.00 175.02 177.69 1si5 s VAL 687 N -0.29 3.51 -0.34 -6.03 0.11 -1.01 -3.01 120.40 113.35 1si5 s VAL 687 Ca -0.01 -0.21 0.21 0.00 -2.93 0.00 0.00 61.98 59.04 1si5 s VAL 687 Cb -0.02 -4.22 0.21 0.00 -1.53 0.00 0.00 36.38 30.82 1si5 s VAL 687 CO -0.00 -1.16 1.46 -0.07 -3.33 0.00 0.00 175.10 172.00 1si5 h LEU 688 N 16.33 0.00 -7.52 2.54 4.07 -1.43 -3.40 115.31 125.90 1si5 h LEU 688 Ca -0.02 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 1si5 h LEU 688 Cb 1.05 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.61 1si5 h LEU 688 CO 1.25 0.13 -0.24 -0.83 -1.08 0.00 0.00 178.44 177.68 1si5 s GLY 689 N -4.31 -0.15 -0.10 0.83 0.00 -0.94 -1.80 107.32 100.85 1si5 s GLY 689 Ca 0.05 0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.97 1si5 s GLY 689 CO 0.71 -0.04 -0.18 0.14 0.00 0.00 0.00 173.10 173.72 1si5 s VAL 690 N -2.04 2.59 0.07 1.40 1.01 -0.90 -0.26 120.40 122.26 1si5 s VAL 690 Ca -0.08 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 1si5 s VAL 690 Cb -0.03 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 1si5 s VAL 690 CO -0.00 0.55 1.19 -0.63 0.00 0.00 0.00 175.10 176.21 1si5 s ILE 691 N 0.14 4.03 0.04 2.22 1.01 -0.34 -1.78 121.20 126.53 1si5 s ILE 691 Ca -0.10 1.48 0.03 0.00 0.00 0.00 0.00 60.65 62.06 1si5 s ILE 691 Cb -0.16 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 1si5 s ILE 691 CO 0.06 0.12 -0.08 0.68 0.00 0.00 0.00 174.94 175.72 1si5 s VAL 692 N 0.96 0.61 0.82 2.92 -7.23 -1.26 -1.02 120.40 116.21 1si5 s VAL 692 Ca 0.58 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 59.69 1si5 s VAL 692 Cb -0.29 -0.63 0.09 0.00 0.56 0.00 0.00 36.38 36.11 1si5 s VAL 692 CO 0.30 -0.25 1.17 -2.16 -0.31 0.00 0.00 175.10 173.85 1si5 s PRO 693 N -1.30 1.58 0.00 4.82 0.04 -1.26 -4.86 135.00 134.03 1si5 s PRO 693 Ca -0.06 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1si5 s PRO 693 Cb -0.08 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1si5 s PRO 693 CO 0.01 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.23 1si5 n GLY 694 N 0.22 -1.70 3.41 0.56 0.00 -1.26 -5.03 105.19 101.38 1si5 n GLY 694 Ca 0.12 0.71 -0.36 0.00 0.00 0.00 0.00 46.02 46.50 1si5 n GLY 694 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1si5 n ARG 695 N 0.00 1.99 0.00 1.61 1.74 -1.26 -4.88 116.66 115.86 1si5 n ARG 695 Ca 0.00 -2.50 0.00 0.00 -0.77 0.00 0.00 57.85 54.58 1si5 n ARG 695 Cb 0.00 -3.47 0.00 0.00 -1.02 0.00 0.00 32.46 27.97 1si5 n ARG 695 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1si5 n GLY 696 N 5.30 1.43 2.93 -0.13 0.00 -1.26 -4.69 105.19 108.78 1si5 n GLY 696 Ca 0.47 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1si5 n GLY 696 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1si5 n ALA 698 N 5.36 -1.57 -2.71 0.00 0.00 -1.26 -4.99 120.51 115.34 1si5 n ALA 698 Ca -0.00 0.21 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 1si5 n ALA 698 Cb 0.50 -4.18 -0.04 0.00 0.00 0.00 0.00 19.45 15.72 1si5 n ALA 698 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1si5 s ILE 699 N -3.33 5.00 0.33 0.00 -1.09 -1.26 -4.20 121.20 116.65 1si5 s ILE 699 Ca 0.34 1.58 -0.29 0.00 -2.23 0.00 0.00 60.65 60.05 1si5 s ILE 699 Cb -0.15 -4.10 -0.12 0.00 -1.58 0.00 0.00 42.46 36.51 1si5 s ILE 699 CO 0.71 0.21 1.51 -2.65 -1.23 0.00 0.00 174.94 173.50 1si5 n PRO 700 N 3.92 2.58 -3.90 2.79 -0.02 -1.26 -2.82 135.00 136.29 1si5 n PRO 700 Ca 0.01 0.91 -0.25 0.00 -2.02 0.00 0.00 63.50 62.15 1si5 n PRO 700 Cb 0.51 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 1si5 n PRO 700 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1si5 n ASN 701 N 1.36 -0.59 -3.20 2.55 4.13 -1.22 -4.94 115.26 113.35 1si5 n ASN 701 Ca 0.06 -0.96 -0.15 0.00 1.68 0.00 0.00 54.58 55.20 1si5 n ASN 701 Cb 0.37 -3.28 -0.05 0.00 -1.54 0.00 0.00 39.78 35.28 1si5 n ASN 701 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1si5 s ARG 702 N -6.44 0.84 0.74 3.52 3.52 -1.13 -5.09 118.95 114.91 1si5 s ARG 702 Ca 0.02 -1.21 -0.13 0.00 -0.13 0.00 0.00 55.73 54.28 1si5 s ARG 702 Cb -0.01 -0.67 0.04 0.00 -1.56 0.00 0.00 34.95 32.75 1si5 s ARG 702 CO 0.87 -1.28 1.13 -1.25 -0.81 0.00 0.00 175.30 173.95 1si5 s PRO 703 N 0.94 2.31 0.18 5.12 0.04 -1.26 -4.66 135.00 137.67 1si5 s PRO 703 Ca 0.25 1.41 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 1si5 s PRO 703 Cb -0.05 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1si5 s PRO 703 CO -0.08 -1.63 0.46 0.20 0.04 0.00 0.00 177.00 175.98 1si5 s GLY 704 N -2.74 2.26 -0.15 0.56 0.00 -0.09 -4.81 107.32 102.34 1si5 s GLY 704 Ca 0.66 -0.42 -0.15 0.00 0.00 0.00 0.00 44.72 44.81 1si5 s GLY 704 CO 0.48 -0.31 0.36 -1.50 0.00 0.00 0.00 173.10 172.13 1si5 s ILE 705 N -1.73 5.26 0.01 0.90 -1.16 -1.26 -1.22 121.20 122.01 1si5 s ILE 705 Ca 0.44 0.68 0.07 0.00 -0.51 0.00 0.00 60.65 61.33 1si5 s ILE 705 Cb -0.12 -3.70 -0.02 0.00 0.61 0.00 0.00 42.46 39.24 1si5 s ILE 705 CO 0.23 0.35 -0.21 -0.36 -2.81 0.00 0.00 174.94 172.14 1si5 s PHE 706 N 0.63 1.88 0.05 3.50 0.40 0.86 -4.38 117.98 120.91 1si5 s PHE 706 Ca 0.19 -0.37 -0.31 0.00 -0.60 0.00 0.00 56.93 55.85 1si5 s PHE 706 Cb -0.14 -1.17 -0.07 0.00 0.51 0.00 0.00 43.02 42.16 1si5 s PHE 706 CO 0.06 0.03 1.49 0.54 0.70 0.00 0.00 175.22 178.04 1si5 s VAL 707 N -0.64 3.37 -0.47 -0.44 0.11 -0.73 -0.07 120.40 121.53 1si5 s VAL 707 Ca 0.08 0.84 -0.28 0.00 -2.93 0.00 0.00 61.98 59.69 1si5 s VAL 707 Cb -0.08 -3.54 0.01 0.00 -1.53 0.00 0.00 36.38 31.23 1si5 s VAL 707 CO 0.00 0.01 1.49 -0.60 -3.33 0.00 0.00 175.10 172.68 1si5 s ARG 708 N 2.19 3.37 0.32 1.54 3.52 0.78 -2.12 118.95 128.55 1si5 s ARG 708 Ca 0.67 0.79 0.02 0.00 -0.13 0.00 0.00 55.73 57.08 1si5 s ARG 708 Cb -0.36 -4.11 0.59 0.00 -1.56 0.00 0.00 34.95 29.51 1si5 s ARG 708 CO 0.29 -1.83 1.94 0.28 -0.81 0.00 0.00 175.30 175.17 1si5 h VAL 709 N 6.51 1.08 -0.53 7.11 2.07 -1.63 -2.13 116.25 128.72 1si5 h VAL 709 Ca -0.28 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.07 1si5 h VAL 709 Cb 1.11 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1si5 h VAL 709 CO 1.12 0.17 0.42 0.00 0.02 0.00 0.00 177.57 179.31 1si5 h ALA 710 N 1.54 2.41 -0.02 1.67 0.00 -1.88 -1.31 119.26 121.67 1si5 h ALA 710 Ca 0.35 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 1si5 h ALA 710 Cb 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1si5 h ALA 710 CO -0.12 -0.69 -0.72 -0.92 0.00 0.00 0.00 179.25 176.80 1si5 h TYR 711 N 0.00 0.18 -0.37 0.00 5.03 -1.71 -3.00 116.97 117.10 1si5 h TYR 711 Ca 0.25 -0.08 -0.06 0.00 2.58 0.00 0.00 58.73 61.42 1si5 h TYR 711 Cb 1.09 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.31 1si5 h TYR 711 CO 0.00 0.80 0.03 0.66 -1.32 0.00 0.00 178.16 178.33 1si5 n TYR 712 N -3.75 1.27 -0.15 -3.82 4.01 -0.58 -4.62 117.16 109.51 1si5 n TYR 712 Ca -0.02 -1.02 -0.09 0.00 -0.16 0.00 0.00 57.90 56.60 1si5 n TYR 712 Cb 0.70 -0.41 -0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1si5 n TYR 712 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1si5 h ALA 713 N 1.97 0.59 0.50 -0.72 0.00 -1.34 -1.01 119.26 119.25 1si5 h ALA 713 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1si5 h ALA 713 Cb 1.65 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1si5 h ALA 713 CO 0.34 0.30 -0.45 0.87 0.00 0.00 0.00 179.25 180.30 1si5 h LYS 714 N 0.59 -0.92 -0.73 0.00 1.79 -1.84 -2.09 116.57 113.37 1si5 h LYS 714 Ca 0.14 0.06 0.17 0.00 -2.18 0.00 0.00 60.65 58.83 1si5 h LYS 714 Cb 0.36 0.21 -0.12 0.00 -1.58 0.00 0.00 32.23 31.10 1si5 h LYS 714 CO 0.01 -0.61 0.05 2.35 -1.08 0.00 0.00 179.45 180.16 1si5 h TRP 715 N -0.95 0.03 -0.95 -1.35 7.01 -1.87 0.26 115.95 118.14 1si5 h TRP 715 Ca -0.06 0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1si5 h TRP 715 Cb 0.82 0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.93 1si5 h TRP 715 CO -0.21 -0.20 0.62 0.82 -2.79 0.00 0.00 178.44 176.68 1si5 h ILE 716 N 0.14 1.17 -0.12 2.65 2.04 -0.88 -1.39 117.51 121.12 1si5 h ILE 716 Ca 0.41 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 1si5 h ILE 716 Cb 0.71 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1si5 h ILE 716 CO -0.61 0.22 -0.28 0.45 0.00 0.00 0.00 178.15 177.92 1si5 h HIS 717 N 1.21 0.52 -1.00 1.37 3.86 0.09 -1.35 115.15 119.84 1si5 h HIS 717 Ca 0.37 -0.20 0.20 0.00 -1.16 0.00 0.00 60.37 59.59 1si5 h HIS 717 Cb -0.01 -0.09 -0.11 0.00 1.06 0.00 0.00 27.41 28.26 1si5 h HIS 717 CO -0.00 0.90 0.61 0.87 0.86 0.00 0.00 177.93 181.17 1si5 h LYS 718 N -0.01 0.69 0.20 2.45 1.57 -0.51 -2.69 116.57 118.26 1si5 h LYS 718 Ca -0.00 -0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.42 1si5 h LYS 718 Cb 0.89 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 33.06 1si5 h LYS 718 CO 0.06 0.45 -1.45 0.82 -0.57 0.00 0.00 179.45 178.77 1si5 h ILE 719 N 0.71 1.30 0.00 1.86 1.08 -1.17 -3.31 117.51 117.97 1si5 h ILE 719 Ca 0.58 -2.80 -0.01 0.00 -0.39 0.00 0.00 64.86 62.24 1si5 h ILE 719 Cb 0.98 2.96 -0.00 0.00 -3.07 0.00 0.00 36.82 37.68 1si5 h ILE 719 CO -0.37 0.84 -0.06 0.40 -0.69 0.00 0.00 178.15 178.27 1si5 h ILE 720 N 0.11 0.38 -2.55 -0.67 2.04 -0.92 -3.26 117.51 112.65 1si5 h ILE 720 Ca -0.23 -0.32 -0.61 0.00 1.00 0.00 0.00 64.86 64.71 1si5 h ILE 720 Cb 2.09 1.22 -0.42 0.00 -0.74 0.00 0.00 36.82 38.98 1si5 h ILE 720 CO 0.23 0.06 -0.60 0.18 0.00 0.00 0.00 178.15 178.02 1si5 n LEU 721 N -3.51 3.31 -3.57 1.44 4.77 -1.10 -5.06 117.00 113.28 1si5 n LEU 721 Ca -0.02 -5.32 -0.10 0.00 -0.03 0.00 0.00 56.01 50.55 1si5 n LEU 721 Cb 0.18 -0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 1si5 n LEU 721 CO 0.27 1.94 0.79 0.28 -1.33 0.00 0.00 177.39 179.33 1si5 s THR 722 N -2.00 0.00 1.23 -5.08 -1.32 -1.23 -4.92 115.64 102.31 1si5 s THR 722 Ca 0.34 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.65 1si5 s THR 722 Cb 0.07 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.33 1si5 s THR 722 CO -0.08 0.00 0.73 -1.22 -2.21 0.00 0.00 174.62 171.84 1si5 n TYR 723 N 0.56 -1.91 0.18 9.09 4.01 -1.26 -4.99 117.16 122.83 1si5 n TYR 723 Ca -0.09 -0.23 -0.07 0.00 -0.16 0.00 0.00 57.90 57.34 1si5 n TYR 723 Cb 0.58 -1.57 -0.03 0.00 -0.31 0.00 0.00 39.34 38.01 1si5 n TYR 723 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1si5 h LYS 724 N -2.79 -0.44 -3.47 -0.72 3.64 -2.02 -3.50 116.57 107.26 1si5 h LYS 724 Ca -0.56 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1si5 h LYS 724 Cb 1.31 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1si5 h LYS 724 CO 0.41 -0.29 -0.73 0.28 -2.27 0.00 0.00 179.45 176.85 1si5 n VAL 725 N -3.26 -9.67 -1.47 2.00 0.31 -1.26 -4.76 118.33 100.22 1si5 n VAL 725 Ca -0.06 2.52 -0.46 0.00 -0.01 0.00 0.00 64.34 66.33 1si5 n VAL 725 Cb 0.18 -4.36 -0.07 0.00 -0.91 0.00 0.00 33.84 28.68 1si5 n VAL 725 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1si5 n PRO 726 N 1.22 0.96 0.00 5.55 -0.02 -1.26 -4.90 135.00 136.55 1si5 n PRO 726 Ca 0.00 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1si5 n PRO 726 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 1si5 n PRO 726 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1si5 n GLN 727 N 8.41 0.00 0.00 -0.52 6.02 -1.26 -5.26 117.38 124.77 1si5 n GLN 727 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1si5 n GLN 727 Cb 0.27 -0.38 0.00 0.00 1.02 0.00 0.00 30.24 31.15 1si5 n GLN 727 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50