#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p43 s VAL 502 N 0.00 4.68 -0.18 0.00 1.01 -1.26 -3.89 120.40 120.76 1p43 s VAL 502 Ca 0.00 1.25 0.22 0.00 0.00 0.00 0.00 61.98 63.45 1p43 s VAL 502 Cb 0.00 -4.26 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 1p43 s VAL 502 CO 0.00 -0.39 0.68 -1.54 0.00 0.00 0.00 175.10 173.84 1p43 n SER 503 N 6.51 0.30 -3.71 3.32 3.41 0.59 -4.73 113.62 119.30 1p43 n SER 503 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.54 1p43 n SER 503 Cb 0.48 1.49 -0.09 0.00 -0.26 0.00 0.00 64.21 65.82 1p43 n SER 503 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1p43 s LYS 504 N -3.43 0.56 -0.12 4.33 2.20 -1.19 -4.98 119.74 117.11 1p43 s LYS 504 Ca -0.04 0.59 -0.01 0.00 -0.36 0.00 0.00 55.97 56.15 1p43 s LYS 504 Cb 0.13 0.27 0.03 0.00 -1.51 0.00 0.00 37.83 36.75 1p43 s LYS 504 CO 0.87 -0.08 -0.05 0.08 -0.36 0.00 0.00 175.35 175.81 1p43 s VAL 505 N 0.13 0.90 0.03 4.02 1.01 -1.26 -0.29 120.40 124.94 1p43 s VAL 505 Ca -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1p43 s VAL 505 Cb -0.03 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1p43 s VAL 505 CO 0.01 0.29 -0.07 -0.47 0.00 0.00 0.00 175.10 174.86 1p43 s TYR 506 N 1.75 0.57 0.05 5.22 5.04 -0.32 -4.73 117.35 124.93 1p43 s TYR 506 Ca 0.04 -0.37 0.04 0.00 -2.44 0.00 0.00 57.07 54.35 1p43 s TYR 506 Cb -0.13 -0.35 -0.02 0.00 0.35 0.00 0.00 41.96 41.81 1p43 s TYR 506 CO -0.08 -0.07 -0.13 0.00 -1.34 0.00 0.00 175.55 173.94 1p43 s ALA 507 N -0.98 1.05 0.15 3.97 0.00 -1.26 -0.27 121.76 124.43 1p43 s ALA 507 Ca -0.07 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 1p43 s ALA 507 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1p43 s ALA 507 CO 0.00 0.17 0.19 -0.98 0.00 0.00 0.00 175.76 175.14 1p43 s ARG 508 N -1.31 1.07 -0.03 0.00 1.70 -0.05 -4.91 118.95 115.42 1p43 s ARG 508 Ca -0.01 -1.30 -0.17 0.00 -0.47 0.00 0.00 55.73 53.78 1p43 s ARG 508 Cb -0.08 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 1p43 s ARG 508 CO 0.01 -0.36 0.48 -1.12 -1.08 0.00 0.00 175.30 173.23 1p43 s SER 509 N -3.01 6.83 0.26 -2.89 0.01 -1.26 -1.43 113.70 112.22 1p43 s SER 509 Ca 0.21 0.99 0.02 0.00 1.31 0.00 0.00 55.95 58.48 1p43 s SER 509 Cb 0.05 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1p43 s SER 509 CO 0.01 0.18 0.14 0.68 0.41 0.00 0.00 173.24 174.66 1p43 s VAL 510 N -0.40 0.28 -0.10 3.43 -7.23 -0.74 -4.95 120.40 110.69 1p43 s VAL 510 Ca 0.26 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 1p43 s VAL 510 Cb -0.17 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1p43 s VAL 510 CO 0.14 0.00 0.05 -0.31 -0.31 0.00 0.00 175.10 174.67 1p43 s TYR 511 N -3.80 3.31 0.81 2.82 1.51 -1.26 -0.37 117.35 120.36 1p43 s TYR 511 Ca 0.38 0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 56.65 1p43 s TYR 511 Cb 0.06 -1.86 0.15 0.00 -0.11 0.00 0.00 41.96 40.21 1p43 s TYR 511 CO 0.15 0.53 1.12 0.16 -1.11 0.00 0.00 175.55 176.40 1p43 s ASP 512 N -0.82 3.89 0.40 2.29 1.47 0.92 -4.88 116.67 119.94 1p43 s ASP 512 Ca 0.13 -0.10 0.21 0.00 1.18 0.00 0.00 52.55 53.97 1p43 s ASP 512 Cb -0.12 -0.16 1.16 0.00 -0.34 0.00 0.00 42.92 43.46 1p43 s ASP 512 CO 0.03 -2.19 1.61 0.77 0.68 0.00 0.00 175.17 176.07 1p43 h SER 513 N -0.96 0.00 -0.12 2.11 4.64 -0.31 0.13 113.55 119.04 1p43 h SER 513 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1p43 h SER 513 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1p43 h SER 513 CO 0.40 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.90 1p43 n ARG 514 N -2.33 2.29 -1.17 4.77 1.74 -1.26 -4.95 116.66 115.75 1p43 n ARG 514 Ca -0.01 -1.98 0.00 0.00 -0.77 0.00 0.00 57.85 55.08 1p43 n ARG 514 Cb 0.21 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1p43 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p43 n GLY 515 N 1.35 0.45 3.65 -0.13 0.00 0.45 -5.05 105.19 105.90 1p43 n GLY 515 Ca 0.15 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1p43 n GLY 515 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p43 s ASN 516 N -2.92 4.88 0.69 1.61 0.02 -1.26 -4.84 114.94 113.12 1p43 s ASN 516 Ca 0.00 -0.11 -0.15 0.00 -1.02 0.00 0.00 52.86 51.58 1p43 s ASN 516 Cb 0.00 -1.19 0.02 0.00 0.02 0.00 0.00 41.25 40.10 1p43 s ASN 516 CO 0.00 0.26 1.14 -2.84 0.02 0.00 0.00 177.10 175.67 1p43 s PRO 517 N -1.68 2.55 0.24 -0.60 0.02 -1.26 -0.05 135.00 134.22 1p43 s PRO 517 Ca 0.20 1.49 -0.15 0.00 0.02 0.00 0.00 61.00 62.57 1p43 s PRO 517 Cb -0.11 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1p43 s PRO 517 CO 0.11 -1.46 0.51 -0.08 -0.33 0.00 0.00 177.00 175.74 1p43 s THR 518 N -2.26 0.01 -0.06 0.99 -1.32 0.50 -4.75 115.64 108.75 1p43 s THR 518 Ca 0.69 -1.23 -0.22 0.00 -1.21 0.00 0.00 61.69 59.72 1p43 s THR 518 Cb -0.23 -2.03 -0.04 0.00 -1.51 0.00 0.00 72.50 68.69 1p43 s THR 518 CO 0.43 -0.05 0.63 -0.69 -2.21 0.00 0.00 174.62 172.73 1p43 s VAL 519 N -3.97 5.04 -0.13 5.08 1.01 -1.26 -1.79 120.40 124.37 1p43 s VAL 519 Ca 0.18 1.29 0.02 0.00 0.00 0.00 0.00 61.98 63.47 1p43 s VAL 519 Cb -0.01 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1p43 s VAL 519 CO 0.06 0.31 -0.21 -0.70 0.00 0.00 0.00 175.10 174.56 1p43 s GLU 520 N 0.53 2.86 0.01 2.72 2.12 -0.51 -1.31 118.70 125.12 1p43 s GLU 520 Ca 0.33 -0.80 0.05 0.00 0.36 0.00 0.00 54.97 54.91 1p43 s GLU 520 Cb -0.17 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 1p43 s GLU 520 CO 0.16 -0.02 -0.12 0.08 -0.54 0.00 0.00 175.26 174.81 1p43 s VAL 521 N 0.85 3.21 -0.07 3.70 1.01 -0.26 -0.87 120.40 127.97 1p43 s VAL 521 Ca -0.07 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1p43 s VAL 521 Cb -0.15 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1p43 s VAL 521 CO -0.02 0.42 -0.07 -1.61 0.00 0.00 0.00 175.10 173.81 1p43 s GLU 522 N -1.28 1.25 -0.14 2.72 2.02 0.63 -1.05 118.70 122.85 1p43 s GLU 522 Ca 0.15 -0.23 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 1p43 s GLU 522 Cb -0.11 -1.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.91 1p43 s GLU 522 CO 0.05 -0.09 -0.07 -0.51 0.02 0.00 0.00 175.26 174.66 1p43 s LEU 523 N 1.04 3.09 -0.18 1.80 1.02 -0.13 -1.18 118.68 124.15 1p43 s LEU 523 Ca -0.08 -0.17 -0.05 0.00 0.02 0.00 0.00 54.13 53.84 1p43 s LEU 523 Cb -0.14 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 1p43 s LEU 523 CO -0.00 0.19 0.01 -0.89 0.02 0.00 0.00 176.35 175.68 1p43 s THR 524 N 0.21 4.21 0.39 5.49 2.01 0.60 -0.83 115.64 127.72 1p43 s THR 524 Ca -0.04 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.78 1p43 s THR 524 Cb -0.14 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1p43 s THR 524 CO 0.04 0.45 0.20 0.42 -0.69 0.00 0.00 174.62 175.04 1p43 s THR 525 N 0.63 0.31 -1.37 -0.82 -4.23 -0.27 -0.30 115.64 109.59 1p43 s THR 525 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1p43 s THR 525 Cb -0.14 -2.36 0.17 0.00 1.34 0.00 0.00 72.50 71.52 1p43 s THR 525 CO 0.02 0.00 1.25 -1.84 -0.54 0.00 0.00 174.62 173.51 1p43 n GLU 526 N -0.84 0.13 0.00 3.99 0.00 -1.25 -1.25 120.64 121.42 1p43 n GLU 526 Ca -0.01 0.20 0.11 0.00 0.00 0.00 0.00 57.16 57.46 1p43 n GLU 526 Cb 0.64 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.58 1p43 n GLU 526 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1p43 n LYS 527 N -1.32 0.19 0.00 3.44 4.76 -1.26 -5.08 118.16 118.89 1p43 n LYS 527 Ca 0.05 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1p43 n LYS 527 Cb 0.09 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1p43 n LYS 527 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p43 n GLY 528 N 1.48 0.69 3.53 0.72 0.00 -0.38 -5.04 105.19 106.19 1p43 n GLY 528 Ca 0.05 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 1p43 n GLY 528 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p43 s VAL 529 N -1.23 4.44 -0.19 1.61 1.01 -1.26 -1.11 120.40 123.66 1p43 s VAL 529 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1p43 s VAL 529 Cb 0.00 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1p43 s VAL 529 CO 0.00 0.41 -0.10 -0.36 0.00 0.00 0.00 175.10 175.05 1p43 s PHE 530 N 0.93 2.88 -0.13 5.22 0.08 -0.01 -4.94 117.98 122.02 1p43 s PHE 530 Ca 0.03 -0.97 -0.01 0.00 0.12 0.00 0.00 56.93 56.10 1p43 s PHE 530 Cb -0.14 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 1p43 s PHE 530 CO 0.03 -0.49 -0.08 0.50 -0.10 0.00 0.00 175.22 175.07 1p43 s ARG 531 N 1.11 3.35 0.01 0.44 3.52 -1.26 -0.96 118.95 125.17 1p43 s ARG 531 Ca 0.01 -0.59 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 1p43 s ARG 531 Cb -0.14 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.50 1p43 s ARG 531 CO -0.02 0.33 -0.10 -1.12 -0.81 0.00 0.00 175.30 173.58 1p43 s SER 532 N 0.08 1.12 -0.03 -2.12 0.01 -0.22 -4.90 113.70 107.64 1p43 s SER 532 Ca -0.03 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.01 1p43 s SER 532 Cb -0.14 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 1p43 s SER 532 CO 0.03 0.03 -0.26 -0.63 0.41 0.00 0.00 173.24 172.83 1p43 s ILE 533 N -0.58 2.04 -0.05 1.44 1.01 -1.26 -1.10 121.20 122.69 1p43 s ILE 533 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 60.65 59.33 1p43 s ILE 533 Cb -0.06 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1p43 s ILE 533 CO 0.00 0.57 0.71 -0.69 0.00 0.00 0.00 174.94 175.53 1p43 s VAL 534 N -0.47 5.02 0.79 2.92 1.01 -0.43 -4.92 120.40 124.31 1p43 s VAL 534 Ca 0.06 1.46 -0.08 0.00 0.00 0.00 0.00 61.98 63.42 1p43 s VAL 534 Cb -0.11 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.35 1p43 s VAL 534 CO 0.00 0.26 1.11 -2.16 0.00 0.00 0.00 175.10 174.32 1p43 s PRO 535 N 0.70 1.56 -0.10 2.72 0.04 -1.26 -4.50 135.00 134.16 1p43 s PRO 535 Ca 0.38 -0.54 -0.06 0.00 0.04 0.00 0.00 61.00 60.82 1p43 s PRO 535 Cb -0.18 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.29 1p43 s PRO 535 CO 0.19 -1.67 0.25 0.45 0.04 0.00 0.00 177.00 176.25 1p43 s SER 536 N -4.70 -0.26 0.65 6.66 0.15 0.16 -4.99 113.70 111.37 1p43 s SER 536 Ca 0.66 0.52 -0.03 0.00 0.70 0.00 0.00 55.95 57.81 1p43 s SER 536 Cb -0.07 0.43 0.06 0.00 -1.71 0.00 0.00 66.02 64.74 1p43 s SER 536 CO 0.47 -0.15 0.92 -0.83 1.20 0.00 0.00 173.24 174.85 1p43 s GLY 537 N 0.99 1.76 0.00 9.45 0.00 -1.26 -0.27 107.32 117.99 1p43 s GLY 537 Ca -0.07 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1p43 s GLY 537 CO -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 173.10 172.21 1p43 n ALA 538 N -2.69 0.00 -2.33 3.20 0.00 -1.26 -4.67 120.51 112.76 1p43 n ALA 538 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 1p43 n ALA 538 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1p43 n ALA 538 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1p43 n SER 539 N -0.95 4.94 -4.72 0.00 2.88 -1.26 -4.99 113.62 109.53 1p43 n SER 539 Ca 0.00 -3.06 -0.40 0.00 -1.33 0.00 0.00 58.87 54.09 1p43 n SER 539 Cb 0.00 -1.52 0.03 0.00 -0.75 0.00 0.00 64.21 61.97 1p43 n SER 539 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1p43 n THR 540 N 3.78 3.19 -1.84 2.46 -2.24 -1.26 -4.93 114.28 113.44 1p43 n THR 540 Ca 0.41 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 61.29 1p43 n THR 540 Cb 0.38 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1p43 n THR 540 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1p43 s GLY 541 N -0.74 2.94 0.65 3.38 0.00 -1.26 -4.85 107.32 107.43 1p43 s GLY 541 Ca 0.67 1.49 0.37 0.00 0.00 0.00 0.00 44.72 47.24 1p43 s GLY 541 CO 0.53 2.14 2.20 -0.24 0.00 0.00 0.00 173.10 177.74 1p43 h VAL 542 N 2.70 0.13 -0.32 1.40 3.04 -1.91 -1.41 116.25 119.87 1p43 h VAL 542 Ca -0.51 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1p43 h VAL 542 Cb 1.25 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 1p43 h VAL 542 CO 0.63 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 178.60 1p43 n HIS 543 N -3.22 0.41 -2.12 3.17 8.25 -1.26 -4.97 115.22 115.47 1p43 n HIS 543 Ca -0.02 -0.20 -0.35 0.00 -0.26 0.00 0.00 57.72 56.88 1p43 n HIS 543 Cb 0.20 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.32 1p43 n HIS 543 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1p43 s GLU 544 N -1.59 3.14 0.49 -0.41 2.02 -0.53 -4.96 118.70 116.87 1p43 s GLU 544 Ca 0.37 1.71 -0.23 0.00 0.02 0.00 0.00 54.97 56.83 1p43 s GLU 544 Cb 0.21 -1.97 -0.07 0.00 0.10 0.00 0.00 34.13 32.41 1p43 s GLU 544 CO 0.30 -1.04 1.32 0.00 0.02 0.00 0.00 175.26 175.86 1p43 n ALA 545 N -1.49 1.49 -1.84 5.21 0.00 0.41 -4.84 120.51 119.46 1p43 n ALA 545 Ca 0.13 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1p43 n ALA 545 Cb 0.50 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 1p43 n ALA 545 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1p43 s LEU 546 N -2.66 4.38 -0.34 0.00 2.96 -0.22 -4.83 118.68 117.98 1p43 s LEU 546 Ca 0.67 2.48 -0.21 0.00 -0.22 0.00 0.00 54.13 56.84 1p43 s LEU 546 Cb -0.45 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.71 1p43 s LEU 546 CO 0.53 -0.98 0.67 -0.70 -1.32 0.00 0.00 176.35 174.55 1p43 s GLU 547 N 4.08 3.76 -0.25 1.98 2.12 -1.26 -0.49 118.70 128.65 1p43 s GLU 547 Ca 0.81 0.19 -0.27 0.00 0.36 0.00 0.00 54.97 56.06 1p43 s GLU 547 Cb -0.39 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1p43 s GLU 547 CO 0.36 -0.72 0.94 1.41 -0.54 0.00 0.00 175.26 176.70 1p43 s MET 548 N 2.78 4.20 0.11 4.30 -2.45 -1.26 -4.98 119.30 121.99 1p43 s MET 548 Ca 0.26 1.12 0.10 0.00 -1.25 0.00 0.00 55.69 55.92 1p43 s MET 548 Cb -0.14 -3.65 -0.04 0.00 1.25 0.00 0.00 34.83 32.25 1p43 s MET 548 CO 0.14 -0.60 -0.22 1.03 1.05 0.00 0.00 175.02 176.42 1p43 s ARG 549 N 3.06 1.66 0.25 4.11 1.81 -1.26 -4.63 118.95 123.95 1p43 s ARG 549 Ca 0.39 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 1p43 s ARG 549 Cb -0.15 -2.03 0.30 0.00 -0.45 0.00 0.00 34.95 32.62 1p43 s ARG 549 CO 0.07 0.48 1.65 -0.44 -0.68 0.00 0.00 175.30 176.39 1p43 h ASP 550 N 3.92 0.57 -0.18 0.23 3.32 -0.49 -3.48 116.42 120.31 1p43 h ASP 550 Ca -0.50 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.25 1p43 h ASP 550 Cb 1.17 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1p43 h ASP 550 CO 0.43 0.85 -0.07 0.61 -1.72 0.00 0.00 179.24 179.34 1p43 n GLY 551 N -0.20 0.64 3.47 2.75 0.00 -0.45 -4.96 105.19 106.44 1p43 n GLY 551 Ca -0.01 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1p43 n GLY 551 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p43 s ASP 552 N -2.46 6.22 0.32 1.61 -1.08 -1.26 -4.85 116.67 115.18 1p43 s ASP 552 Ca 0.00 -1.04 0.21 0.00 -0.52 0.00 0.00 52.55 51.20 1p43 s ASP 552 Cb 0.00 -2.44 1.14 0.00 -1.46 0.00 0.00 42.92 40.16 1p43 s ASP 552 CO 0.00 -1.46 1.63 0.29 0.52 0.00 0.00 175.17 176.16 1p43 n LYS 553 N 7.83 0.13 0.00 4.34 5.02 -1.26 -0.82 118.16 133.40 1p43 n LYS 553 Ca 0.01 0.63 0.14 0.00 -2.02 0.00 0.00 58.31 57.07 1p43 n LYS 553 Cb 0.46 -1.96 0.54 0.00 -0.02 0.00 0.00 35.03 34.05 1p43 n LYS 553 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1p43 n SER 554 N -2.24 0.95 -3.87 4.39 3.41 -1.26 -4.13 113.62 110.87 1p43 n SER 554 Ca -0.01 -1.02 -0.23 0.00 -0.26 0.00 0.00 58.87 57.35 1p43 n SER 554 Cb 0.05 0.02 -0.17 0.00 -0.26 0.00 0.00 64.21 63.85 1p43 n SER 554 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1p43 s LYS 555 N -2.28 0.99 -1.62 4.33 -0.14 0.00 -4.85 119.74 116.17 1p43 s LYS 555 Ca 0.32 -0.10 -0.16 0.00 -1.36 0.00 0.00 55.97 54.67 1p43 s LYS 555 Cb 0.20 -1.10 0.13 0.00 -1.68 0.00 0.00 37.83 35.38 1p43 s LYS 555 CO 0.43 -0.18 0.87 0.91 -0.76 0.00 0.00 175.35 176.61 1p43 n TRP 556 N 4.58 -1.99 -2.25 3.18 8.01 -1.26 -0.49 117.44 127.22 1p43 n TRP 556 Ca -0.16 0.83 -0.15 0.00 -1.31 0.00 0.00 57.50 56.71 1p43 n TRP 556 Cb 0.50 -3.38 -0.02 0.00 -2.01 0.00 0.00 31.31 26.40 1p43 n TRP 556 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 1p43 n MET 557 N -4.48 -1.94 -0.86 -0.99 2.81 -1.26 -0.58 117.12 109.82 1p43 n MET 557 Ca 0.06 0.74 0.00 0.00 -1.81 0.00 0.00 57.70 56.69 1p43 n MET 557 Cb 0.51 -5.30 0.00 0.00 -0.71 0.00 0.00 33.22 27.72 1p43 n MET 557 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p43 n GLY 558 N -0.76 0.83 2.10 3.03 0.00 0.36 -4.80 105.19 105.95 1p43 n GLY 558 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1p43 n GLY 558 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p43 n LYS 559 N -2.24 3.26 -1.76 1.61 5.02 0.26 -1.34 118.16 122.97 1p43 n LYS 559 Ca 0.00 -3.05 -0.34 0.00 -2.02 0.00 0.00 58.31 52.90 1p43 n LYS 559 Cb 0.00 -2.21 0.05 0.00 -0.02 0.00 0.00 35.03 32.85 1p43 n LYS 559 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1p43 s GLY 560 N -1.09 2.30 -0.18 0.72 0.00 -1.26 -4.24 107.32 103.57 1p43 s GLY 560 Ca 0.56 0.69 0.13 0.00 0.00 0.00 0.00 44.72 46.10 1p43 s GLY 560 CO 0.13 1.06 1.20 3.33 0.00 0.00 0.00 173.10 178.82 1p43 n VAL 561 N -2.30 2.01 -0.32 1.40 0.24 -1.26 0.11 118.33 118.21 1p43 n VAL 561 Ca 0.11 -2.90 0.01 0.00 -2.04 0.00 0.00 64.34 59.52 1p43 n VAL 561 Cb 0.51 -0.17 0.14 0.00 -1.47 0.00 0.00 33.84 32.86 1p43 n VAL 561 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1p43 h LEU 562 N 0.79 0.89 -0.68 1.34 3.38 -1.92 -0.40 115.31 118.70 1p43 h LEU 562 Ca -0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1p43 h LEU 562 Cb 1.05 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1p43 h LEU 562 CO 0.00 0.57 0.24 0.45 0.09 0.00 0.00 178.44 179.80 1p43 h HIS 563 N 1.03 1.07 -0.25 1.13 3.86 -1.92 -0.22 115.15 119.85 1p43 h HIS 563 Ca 0.38 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.44 1p43 h HIS 563 Cb 0.14 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1p43 h HIS 563 CO -0.02 0.85 -0.04 0.00 0.86 0.00 0.00 177.93 179.57 1p43 h ALA 564 N 1.11 0.34 -0.67 2.45 0.00 -1.69 -1.35 119.26 119.44 1p43 h ALA 564 Ca 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1p43 h ALA 564 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1p43 h ALA 564 CO -0.01 0.13 0.36 0.28 0.00 0.00 0.00 179.25 180.01 1p43 h VAL 565 N 0.23 1.20 -0.36 0.00 2.07 -0.91 -2.04 116.25 116.45 1p43 h VAL 565 Ca 0.07 -0.52 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1p43 h VAL 565 Cb 0.50 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1p43 h VAL 565 CO 0.02 0.23 -0.26 0.50 0.02 0.00 0.00 177.57 178.08 1p43 h LYS 566 N 0.94 0.73 -0.29 1.57 3.64 -0.85 -0.87 116.57 121.43 1p43 h LYS 566 Ca 0.24 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1p43 h LYS 566 Cb 0.03 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1p43 h LYS 566 CO -0.04 0.92 -0.00 -0.91 -2.27 0.00 0.00 179.45 177.15 1p43 h ASN 567 N 0.63 0.41 0.01 4.20 2.35 -0.57 0.48 115.58 123.10 1p43 h ASN 567 Ca 0.08 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1p43 h ASN 567 Cb 0.77 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1p43 h ASN 567 CO 0.06 0.48 -0.00 0.58 -1.65 0.00 0.00 177.43 176.90 1p43 h VAL 568 N 0.43 1.45 -0.17 2.81 2.07 -0.99 0.30 116.25 122.15 1p43 h VAL 568 Ca 0.10 -1.40 -0.18 0.00 0.82 0.00 0.00 66.70 66.04 1p43 h VAL 568 Cb 0.29 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1p43 h VAL 568 CO 0.01 0.36 -0.61 0.78 0.02 0.00 0.00 177.57 178.13 1p43 h ASN 569 N -0.62 0.67 0.21 0.57 2.35 -0.92 0.29 115.58 118.13 1p43 h ASN 569 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1p43 h ASN 569 Cb 0.60 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1p43 h ASN 569 CO 0.00 1.12 -1.69 0.47 -1.65 0.00 0.00 177.43 175.69 1p43 n ASP 570 N -3.94 0.26 0.03 5.81 8.00 0.17 -4.48 116.55 122.40 1p43 n ASP 570 Ca -0.04 -0.01 -0.02 0.00 0.71 0.00 0.00 54.79 55.43 1p43 n ASP 570 Cb 0.64 1.57 -0.01 0.00 -0.02 0.00 0.00 41.12 43.31 1p43 n ASP 570 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1p43 n VAL 571 N -2.27 1.22 -0.02 2.53 0.31 -0.69 -4.75 118.33 114.65 1p43 n VAL 571 Ca -0.02 0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 64.53 1p43 n VAL 571 Cb 0.54 -1.70 -0.08 0.00 -0.91 0.00 0.00 33.84 31.70 1p43 n VAL 571 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1p43 h ILE 572 N -0.15 1.27 -0.07 2.52 2.04 -0.94 -3.24 117.51 118.94 1p43 h ILE 572 Ca -0.01 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.04 1p43 h ILE 572 Cb 0.20 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 1p43 h ILE 572 CO -0.00 0.23 -0.51 0.00 0.00 0.00 0.00 178.15 177.87 1p43 h ALA 573 N 0.71 -0.90 -0.48 1.87 0.00 -0.65 0.19 119.26 119.99 1p43 h ALA 573 Ca 0.02 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1p43 h ALA 573 Cb 0.37 0.96 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1p43 h ALA 573 CO 0.01 -1.07 0.20 -1.00 0.00 0.00 0.00 179.25 177.38 1p43 h PRO 574 N -0.60 0.38 -0.25 0.00 0.13 -1.79 -1.33 132.00 128.56 1p43 h PRO 574 Ca 0.02 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1p43 h PRO 574 Cb 0.66 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1p43 h PRO 574 CO -0.38 0.25 -0.38 0.00 -0.23 0.00 0.00 178.00 177.27 1p43 h ALA 575 N 1.30 0.88 -0.10 -0.56 0.00 -1.54 -2.46 119.26 116.78 1p43 h ALA 575 Ca 0.22 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1p43 h ALA 575 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1p43 h ALA 575 CO -0.20 0.63 -0.01 0.35 0.00 0.00 0.00 179.25 180.02 1p43 h PHE 576 N 0.47 0.20 -0.67 0.00 3.04 -0.29 -1.62 116.94 118.07 1p43 h PHE 576 Ca 0.05 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1p43 h PHE 576 Cb 0.87 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 1p43 h PHE 576 CO 0.03 0.47 0.30 0.28 -2.02 0.00 0.00 178.31 177.37 1p43 h VAL 577 N -0.13 1.23 -0.02 1.41 2.07 -1.27 -2.49 116.25 117.05 1p43 h VAL 577 Ca 0.03 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 1p43 h VAL 577 Cb 0.40 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1p43 h VAL 577 CO 0.01 0.28 -0.28 0.50 0.02 0.00 0.00 177.57 178.10 1p43 h LYS 578 N 0.94 0.04 0.00 1.57 3.64 -1.41 -2.55 116.57 118.81 1p43 h LYS 578 Ca 0.23 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1p43 h LYS 578 Cb 0.16 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1p43 h LYS 578 CO -0.02 0.32 -0.14 0.00 -2.27 0.00 0.00 179.45 177.33 1p43 h ALA 579 N 1.68 1.06 -6.22 5.00 0.00 -0.82 -3.47 119.26 116.48 1p43 h ALA 579 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 54.91 54.35 1p43 h ALA 579 Cb 0.52 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 18.37 1p43 h ALA 579 CO 0.04 0.18 -0.94 -1.71 0.00 0.00 0.00 179.25 176.82 1p43 n ASN 580 N -3.34 -5.37 -4.83 0.00 4.05 -0.96 -4.94 115.26 99.87 1p43 n ASN 580 Ca -0.00 -1.01 -0.34 0.00 0.45 0.00 0.00 54.58 53.68 1p43 n ASN 580 Cb 0.36 -3.38 -0.06 0.00 1.23 0.00 0.00 39.78 37.93 1p43 n ASN 580 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1p43 s ILE 581 N -3.45 4.52 -0.46 -1.44 1.01 -1.26 -5.02 121.20 115.09 1p43 s ILE 581 Ca 0.47 1.26 -0.24 0.00 0.00 0.00 0.00 60.65 62.14 1p43 s ILE 581 Cb -0.17 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.65 1p43 s ILE 581 CO 0.86 -0.14 0.87 -0.62 0.00 0.00 0.00 174.94 175.91 1p43 s ASP 582 N -2.09 6.45 0.59 3.58 2.15 -1.26 -4.64 116.67 121.45 1p43 s ASP 582 Ca 0.55 -0.02 0.29 0.00 0.43 0.00 0.00 52.55 53.80 1p43 s ASP 582 Cb -0.12 -2.42 1.66 0.00 -0.30 0.00 0.00 42.92 41.75 1p43 s ASP 582 CO 0.17 -1.01 2.11 -0.37 -0.17 0.00 0.00 175.17 175.90 1p43 h VAL 583 N 6.04 0.49 0.00 1.11 -1.51 -1.95 0.05 116.25 120.47 1p43 h VAL 583 Ca -0.24 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.17 1p43 h VAL 583 Cb 1.08 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1p43 h VAL 583 CO 1.00 0.00 -0.27 0.11 -1.23 0.00 0.00 177.57 177.19 1p43 h LYS 584 N 0.00 0.00 -4.69 5.19 1.57 -1.89 -3.32 116.57 113.43 1p43 h LYS 584 Ca 0.08 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.13 1p43 h LYS 584 Cb 0.44 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.61 1p43 h LYS 584 CO -0.00 0.27 1.73 -3.47 -0.57 0.00 0.00 179.45 177.41 1p43 n ASP 585 N -3.85 5.08 -0.29 0.86 -0.08 0.00 -4.82 116.55 113.44 1p43 n ASP 585 Ca -0.02 -2.98 0.16 0.00 -1.51 0.00 0.00 54.79 50.44 1p43 n ASP 585 Cb 0.35 -1.59 0.43 0.00 2.34 0.00 0.00 41.12 42.65 1p43 n ASP 585 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1p43 h GLN 586 N 6.90 0.55 -0.43 -0.67 5.75 -1.79 -0.78 115.11 124.63 1p43 h GLN 586 Ca 0.37 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.83 1p43 h GLN 586 Cb 0.81 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 1p43 h GLN 586 CO 1.39 0.36 0.22 0.87 -2.65 0.00 0.00 178.83 179.02 1p43 h LYS 587 N 0.57 0.61 -0.69 1.69 1.57 -1.93 -0.40 116.57 117.98 1p43 h LYS 587 Ca 0.51 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1p43 h LYS 587 Cb 1.04 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 1p43 h LYS 587 CO -0.25 0.50 0.39 0.00 -0.57 0.00 0.00 179.45 179.52 1p43 h ALA 588 N 1.07 0.88 -0.03 3.86 0.00 -1.52 0.41 119.26 123.92 1p43 h ALA 588 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1p43 h ALA 588 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1p43 h ALA 588 CO -0.02 0.39 -0.03 0.28 0.00 0.00 0.00 179.25 179.86 1p43 h VAL 589 N 0.95 0.90 -0.07 0.00 2.07 -0.93 -1.55 116.25 117.62 1p43 h VAL 589 Ca 0.24 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.57 1p43 h VAL 589 Cb 0.02 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1p43 h VAL 589 CO -0.04 0.00 -0.77 0.44 0.02 0.00 0.00 177.57 177.22 1p43 h ASP 590 N -0.04 0.52 -0.54 0.57 3.32 -0.78 -2.33 116.42 117.13 1p43 h ASP 590 Ca 0.03 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1p43 h ASP 590 Cb 0.08 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1p43 h ASP 590 CO -0.06 1.11 0.31 0.44 -1.72 0.00 0.00 179.24 179.31 1p43 h ASP 591 N 0.29 0.69 -0.03 6.45 3.32 -0.09 0.12 116.42 127.17 1p43 h ASP 591 Ca -0.04 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1p43 h ASP 591 Cb 1.35 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1p43 h ASP 591 CO 0.13 0.57 0.00 0.15 -1.72 0.00 0.00 179.24 178.37 1p43 h PHE 592 N 0.79 0.06 -0.27 4.55 3.57 -1.12 -1.18 116.94 123.34 1p43 h PHE 592 Ca 0.20 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1p43 h PHE 592 Cb 0.03 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1p43 h PHE 592 CO 0.00 0.35 0.17 -0.07 -2.23 0.00 0.00 178.31 176.53 1p43 h LEU 593 N -0.24 0.33 -0.65 0.59 3.38 -1.04 -0.51 115.31 117.17 1p43 h LEU 593 Ca 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1p43 h LEU 593 Cb 0.32 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1p43 h LEU 593 CO 0.00 0.28 0.38 0.40 0.09 0.00 0.00 178.44 179.59 1p43 h ILE 594 N 0.35 1.19 -0.52 1.22 2.04 -0.77 -2.18 117.51 118.84 1p43 h ILE 594 Ca 0.10 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 1p43 h ILE 594 Cb 0.01 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1p43 h ILE 594 CO -0.02 0.20 -0.08 -1.28 0.00 0.00 0.00 178.15 176.98 1p43 h SER 595 N 0.88 0.94 -0.37 1.72 0.87 -0.99 -1.10 113.55 115.49 1p43 h SER 595 Ca 0.23 -0.29 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 1p43 h SER 595 Cb -0.01 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1p43 h SER 595 CO -0.04 1.04 0.08 0.25 -0.53 0.00 0.00 176.83 177.63 1p43 h LEU 596 N 0.86 0.64 0.03 2.23 5.85 -0.82 -2.94 115.31 121.15 1p43 h LEU 596 Ca 0.14 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1p43 h LEU 596 Cb 0.61 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1p43 h LEU 596 CO 0.04 0.65 -0.02 -0.78 -0.34 0.00 0.00 178.44 178.00 1p43 h ASP 597 N 0.66 -0.04 0.00 1.25 3.58 -1.12 -3.48 116.42 117.27 1p43 h ASP 597 Ca 0.15 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1p43 h ASP 597 Cb 0.29 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1p43 h ASP 597 CO 0.00 0.55 0.00 0.61 -2.88 0.00 0.00 179.24 177.52 1p43 n GLY 598 N 0.53 0.65 3.51 -0.78 0.00 -0.44 -4.68 105.19 103.98 1p43 n GLY 598 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1p43 n GLY 598 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p43 s THR 599 N -2.84 2.92 0.15 2.61 -4.23 -1.26 -5.03 115.64 107.96 1p43 s THR 599 Ca 0.00 -1.63 0.35 0.00 -1.18 0.00 0.00 61.69 59.23 1p43 s THR 599 Cb 0.00 -2.39 0.40 0.00 1.34 0.00 0.00 72.50 71.85 1p43 s THR 599 CO 0.00 -0.01 2.02 0.00 -0.54 0.00 0.00 174.62 176.09 1p43 h ALA 600 N 3.35 1.00 -0.10 3.99 0.00 -1.97 -3.07 119.26 122.46 1p43 h ALA 600 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p43 h ALA 600 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1p43 h ALA 600 CO 0.49 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.01 1p43 n ASN 601 N -3.07 2.43 -3.46 0.00 6.94 -1.26 -4.98 115.26 111.86 1p43 n ASN 601 Ca 0.00 -2.29 -0.25 0.00 -0.02 0.00 0.00 54.58 52.03 1p43 n ASN 601 Cb 0.28 -0.18 0.05 0.00 -2.36 0.00 0.00 39.78 37.57 1p43 n ASN 601 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1p43 n LYS 602 N -0.45 -6.29 0.00 -3.83 5.02 -1.16 -1.05 118.16 110.40 1p43 n LYS 602 Ca 0.07 0.79 0.14 0.00 -2.02 0.00 0.00 58.31 57.29 1p43 n LYS 602 Cb 0.41 -5.74 0.51 0.00 -0.02 0.00 0.00 35.03 30.20 1p43 n LYS 602 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1p43 n SER 603 N -2.78 0.46 -0.05 4.39 3.41 -1.26 -1.28 113.62 116.51 1p43 n SER 603 Ca -0.02 -0.36 -0.18 0.00 -0.26 0.00 0.00 58.87 58.05 1p43 n SER 603 Cb 0.57 -0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 1p43 n SER 603 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1p43 h LYS 604 N 0.43 0.08 0.00 4.33 3.64 -1.90 -3.39 116.57 119.75 1p43 h LYS 604 Ca 0.00 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1p43 h LYS 604 Cb 0.43 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1p43 h LYS 604 CO 0.00 1.07 -2.09 1.28 -2.27 0.00 0.00 179.45 177.44 1p43 n LEU 605 N -4.40 0.00 0.00 5.20 4.77 -1.26 -5.09 117.00 116.23 1p43 n LEU 605 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1p43 n LEU 605 Cb 0.64 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1p43 n LEU 605 CO 0.34 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1p43 n GLY 606 N 1.59 1.67 0.23 -0.72 0.00 -0.40 -4.39 105.19 103.16 1p43 n GLY 606 Ca -0.16 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.48 1p43 n GLY 606 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p43 h ALA 607 N 0.00 1.49 0.00 4.61 0.00 -0.60 -1.32 119.26 123.44 1p43 h ALA 607 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1p43 h ALA 607 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1p43 h ALA 607 CO 0.00 0.26 0.00 0.27 0.00 0.00 0.00 179.25 179.78 1p43 n ASN 608 N -4.05 0.00 -0.13 0.00 6.94 -1.26 -1.09 115.26 115.67 1p43 n ASN 608 Ca -0.02 -0.54 -0.17 0.00 -0.02 0.00 0.00 54.58 53.82 1p43 n ASN 608 Cb 0.28 -0.12 -0.12 0.00 -2.36 0.00 0.00 39.78 37.46 1p43 n ASN 608 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1p43 n ALA 609 N -1.12 1.46 -0.02 -2.53 0.00 -0.55 -4.49 120.51 113.25 1p43 n ALA 609 Ca 0.18 -1.07 -0.13 0.00 0.00 0.00 0.00 53.44 52.41 1p43 n ALA 609 Cb 0.15 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 1p43 n ALA 609 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1p43 h ILE 610 N 0.00 1.46 -0.73 0.00 2.04 -1.28 -3.35 117.51 115.64 1p43 h ILE 610 Ca -0.56 -1.35 0.13 0.00 1.00 0.00 0.00 64.86 64.09 1p43 h ILE 610 Cb 1.87 2.37 -0.09 0.00 -0.74 0.00 0.00 36.82 40.23 1p43 h ILE 610 CO -0.09 0.35 0.28 0.25 0.00 0.00 0.00 178.15 178.95 1p43 h LEU 611 N -0.58 0.26 -0.63 1.44 5.85 -0.84 -1.43 115.31 119.38 1p43 h LEU 611 Ca -0.00 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1p43 h LEU 611 Cb 0.57 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1p43 h LEU 611 CO 0.00 0.10 0.33 1.23 -0.34 0.00 0.00 178.44 179.77 1p43 h GLY 612 N 0.43 0.92 1.00 3.75 0.00 -1.79 0.15 103.07 107.53 1p43 h GLY 612 Ca 0.40 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 1p43 h GLY 612 CO -0.39 0.12 -0.01 -2.08 0.00 0.00 0.00 176.54 174.18 1p43 h VAL 613 N 0.61 1.26 -0.24 4.60 2.07 -1.53 -0.60 116.25 122.42 1p43 h VAL 613 Ca 0.29 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1p43 h VAL 613 Cb 0.21 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1p43 h VAL 613 CO -0.20 0.38 0.10 -1.28 0.02 0.00 0.00 177.57 176.58 1p43 h SER 614 N 0.71 0.12 -0.13 0.57 0.87 -0.38 -1.38 113.55 113.93 1p43 h SER 614 Ca 0.13 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 1p43 h SER 614 Cb 0.52 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1p43 h SER 614 CO 0.03 0.10 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.22 1p43 h LEU 615 N 0.21 0.34 -1.46 2.23 3.38 -0.64 -3.08 115.31 116.29 1p43 h LEU 615 Ca 0.10 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.66 1p43 h LEU 615 Cb 0.06 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1p43 h LEU 615 CO -0.09 0.77 0.45 0.00 0.09 0.00 0.00 178.44 179.65 1p43 h ALA 616 N 0.59 1.81 -0.82 1.53 0.00 -1.06 -0.51 119.26 120.80 1p43 h ALA 616 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1p43 h ALA 616 Cb 0.68 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1p43 h ALA 616 CO 0.03 0.07 0.39 0.00 0.00 0.00 0.00 179.25 179.74 1p43 h ALA 617 N 1.64 1.05 -0.33 0.00 0.00 -1.20 -1.00 119.26 119.43 1p43 h ALA 617 Ca 0.30 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1p43 h ALA 617 Cb 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1p43 h ALA 617 CO -0.10 0.62 -0.11 0.66 0.00 0.00 0.00 179.25 180.31 1p43 h SER 618 N 1.16 0.54 -0.35 0.00 4.64 -1.03 -0.08 113.55 118.43 1p43 h SER 618 Ca 0.28 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 1p43 h SER 618 Cb 0.12 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1p43 h SER 618 CO -0.04 0.69 -0.17 0.03 -0.87 0.00 0.00 176.83 176.48 1p43 h ARG 619 N 0.51 0.73 -0.67 4.77 3.08 -0.90 -1.78 114.38 120.13 1p43 h ARG 619 Ca 0.09 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 1p43 h ARG 619 Cb 0.50 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1p43 h ARG 619 CO 0.03 0.93 0.26 0.00 -1.07 0.00 0.00 179.97 180.12 1p43 h ALA 620 N 0.79 1.20 -0.45 0.04 0.00 -0.79 -2.26 119.26 117.79 1p43 h ALA 620 Ca 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1p43 h ALA 620 Cb 0.71 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1p43 h ALA 620 CO 0.05 0.58 0.13 0.00 0.00 0.00 0.00 179.25 180.01 1p43 h ALA 621 N 1.32 0.59 -0.79 0.00 0.00 -0.82 -1.33 119.26 118.23 1p43 h ALA 621 Ca 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1p43 h ALA 621 Cb 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1p43 h ALA 621 CO -0.02 0.26 0.40 0.00 0.00 0.00 0.00 179.25 179.88 1p43 h ALA 622 N 0.98 1.22 -0.54 0.00 0.00 -1.05 -0.79 119.26 119.07 1p43 h ALA 622 Ca 0.14 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1p43 h ALA 622 Cb 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1p43 h ALA 622 CO -0.00 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 1p43 h ALA 623 N 1.32 0.84 -0.69 0.00 0.00 -1.12 0.02 119.26 119.64 1p43 h ALA 623 Ca 0.27 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1p43 h ALA 623 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1p43 h ALA 623 CO -0.04 0.66 0.32 1.49 0.00 0.00 0.00 179.25 181.68 1p43 h GLU 624 N 0.89 1.00 0.00 0.00 4.81 -0.61 -1.33 114.58 119.33 1p43 h GLU 624 Ca 0.15 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1p43 h GLU 624 Cb 0.62 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1p43 h GLU 624 CO 0.04 0.79 0.00 1.63 -0.73 0.00 0.00 179.01 180.74 1p43 n LYS 625 N -4.44 0.40 -3.62 1.92 5.02 -0.36 -4.92 118.16 112.16 1p43 n LYS 625 Ca 0.05 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.15 1p43 n LYS 625 Cb 0.13 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1p43 n LYS 625 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1p43 n ASN 626 N -1.29 -2.88 -4.12 4.39 4.05 -0.13 -5.01 115.26 110.27 1p43 n ASN 626 Ca 0.13 -0.69 -0.10 0.00 0.45 0.00 0.00 54.58 54.37 1p43 n ASN 626 Cb 0.23 -4.59 -0.10 0.00 1.23 0.00 0.00 39.78 36.54 1p43 n ASN 626 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1p43 s VAL 627 N -3.45 0.51 0.73 3.44 -7.23 -0.47 -5.03 120.40 108.91 1p43 s VAL 627 Ca 0.19 -1.68 -0.15 0.00 -1.81 0.00 0.00 61.98 58.53 1p43 s VAL 627 Cb -0.09 -1.35 0.04 0.00 0.56 0.00 0.00 36.38 35.54 1p43 s VAL 627 CO 0.77 -0.79 1.25 -2.84 -0.31 0.00 0.00 175.10 173.18 1p43 s PRO 628 N -3.28 2.05 0.16 4.82 0.02 -1.26 -4.39 135.00 133.12 1p43 s PRO 628 Ca 0.05 1.90 -0.16 0.00 0.02 0.00 0.00 61.00 62.81 1p43 s PRO 628 Cb 0.02 -1.81 0.07 0.00 0.02 0.00 0.00 34.50 32.81 1p43 s PRO 628 CO -0.05 -1.94 1.74 1.25 -0.33 0.00 0.00 177.00 177.68 1p43 h LEU 629 N -0.23 0.08 -1.60 -5.54 5.85 -1.95 -1.70 115.31 110.21 1p43 h LEU 629 Ca -0.48 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.37 1p43 h LEU 629 Cb 1.32 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 1p43 h LEU 629 CO 0.49 0.08 0.40 0.10 -0.34 0.00 0.00 178.44 179.17 1p43 h TYR 630 N 0.24 0.48 -0.24 1.25 -0.00 -1.91 0.15 116.97 116.94 1p43 h TYR 630 Ca 0.17 0.01 -0.05 0.00 0.00 0.00 0.00 58.73 58.87 1p43 h TYR 630 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 36.73 36.74 1p43 h TYR 630 CO -0.17 0.24 -0.03 -0.22 -0.00 0.00 0.00 178.16 177.98 1p43 h LYS 631 N 0.46 0.45 -0.63 0.10 1.63 -1.67 -0.23 116.57 116.68 1p43 h LYS 631 Ca 0.27 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1p43 h LYS 631 Cb 0.46 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 1p43 h LYS 631 CO -0.08 0.65 0.14 1.25 -3.45 0.00 0.00 179.45 177.96 1p43 h HIS 632 N 0.20 1.05 -0.05 1.91 2.76 -0.57 -0.95 115.15 119.50 1p43 h HIS 632 Ca 0.07 -0.12 -0.08 0.00 -2.20 0.00 0.00 60.37 58.04 1p43 h HIS 632 Cb 0.47 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 1p43 h HIS 632 CO 0.04 0.87 -0.33 -0.07 -1.30 0.00 0.00 177.93 177.14 1p43 h LEU 633 N 0.95 0.10 -0.44 0.26 3.38 -0.57 -0.30 115.31 118.69 1p43 h LEU 633 Ca 0.20 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1p43 h LEU 633 Cb 0.36 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1p43 h LEU 633 CO 0.00 0.44 -0.20 0.00 0.09 0.00 0.00 178.44 178.78 1p43 h ALA 634 N 1.57 0.62 -0.22 1.53 0.00 -0.31 -2.07 119.26 120.38 1p43 h ALA 634 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1p43 h ALA 634 Cb 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1p43 h ALA 634 CO 0.05 0.59 0.10 -0.44 0.00 0.00 0.00 179.25 179.55 1p43 h ASP 635 N 0.75 0.29 -0.38 0.00 3.32 -0.47 0.10 116.42 120.04 1p43 h ASP 635 Ca 0.10 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1p43 h ASP 635 Cb 0.76 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1p43 h ASP 635 CO 0.06 0.34 0.25 -0.07 -1.72 0.00 0.00 179.24 178.10 1p43 h LEU 636 N 0.22 0.43 -1.63 1.55 3.38 -1.00 -2.16 115.31 116.11 1p43 h LEU 636 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1p43 h LEU 636 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1p43 h LEU 636 CO -0.01 0.31 0.00 -1.54 0.09 0.00 0.00 178.44 177.29 1p43 n SER 637 N -4.48 2.51 -3.75 -0.43 3.41 -0.79 -4.95 113.62 105.15 1p43 n SER 637 Ca 0.03 -1.83 -0.27 0.00 -0.26 0.00 0.00 58.87 56.54 1p43 n SER 637 Cb 0.06 -0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1p43 n SER 637 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1p43 n LYS 638 N 0.95 -6.83 -3.17 4.33 5.02 0.17 -4.97 118.16 113.65 1p43 n LYS 638 Ca 0.16 0.72 -0.30 0.00 -2.02 0.00 0.00 58.31 56.87 1p43 n LYS 638 Cb 0.51 -5.70 -0.04 0.00 -0.02 0.00 0.00 35.03 29.78 1p43 n LYS 638 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1p43 s SER 639 N -3.31 6.54 0.31 4.39 0.01 -0.07 -5.03 113.70 116.55 1p43 s SER 639 Ca 0.63 0.95 -0.29 0.00 1.31 0.00 0.00 55.95 58.55 1p43 s SER 639 Cb -0.30 -2.24 -0.10 0.00 0.21 0.00 0.00 66.02 63.59 1p43 s SER 639 CO 0.78 -0.24 1.25 -0.75 0.41 0.00 0.00 173.24 174.69 1p43 s LYS 640 N -3.44 4.43 -0.06 12.44 2.20 -1.26 -4.76 119.74 129.29 1p43 s LYS 640 Ca 0.48 2.11 0.09 0.00 -0.36 0.00 0.00 55.97 58.28 1p43 s LYS 640 Cb -0.11 -3.11 0.13 0.00 -1.51 0.00 0.00 37.83 33.24 1p43 s LYS 640 CO 0.27 -0.09 1.03 0.25 -0.36 0.00 0.00 175.35 176.46 1p43 n THR 641 N 0.99 1.26 -3.47 3.43 -2.24 -1.26 -4.71 114.28 108.28 1p43 n THR 641 Ca -0.00 -1.43 -0.28 0.00 -2.27 0.00 0.00 64.05 60.06 1p43 n THR 641 Cb 0.43 0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.73 1p43 n THR 641 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1p43 s SER 642 N -1.80 2.45 0.47 3.42 1.04 -1.26 -3.82 113.70 114.21 1p43 s SER 642 Ca 0.15 -2.62 0.08 0.00 0.48 0.00 0.00 55.95 54.04 1p43 s SER 642 Cb 0.13 -0.50 0.04 0.00 0.10 0.00 0.00 66.02 65.79 1p43 s SER 642 CO 0.01 -0.24 0.65 -2.16 0.98 0.00 0.00 173.24 172.48 1p43 s PRO 643 N 0.54 2.65 0.72 4.02 0.04 -1.26 -5.17 135.00 136.54 1p43 s PRO 643 Ca 0.24 -1.36 -0.11 0.00 0.04 0.00 0.00 61.00 59.81 1p43 s PRO 643 Cb -0.12 -2.72 0.02 0.00 0.04 0.00 0.00 34.50 31.73 1p43 s PRO 643 CO -0.08 -0.47 1.08 0.71 0.04 0.00 0.00 177.00 178.27 1p43 s TYR 644 N -2.46 3.15 -0.12 0.56 2.02 0.26 -4.87 117.35 115.89 1p43 s TYR 644 Ca 0.57 1.22 0.01 0.00 -0.37 0.00 0.00 57.07 58.50 1p43 s TYR 644 Cb -0.09 -2.98 0.02 0.00 -0.40 0.00 0.00 41.96 38.51 1p43 s TYR 644 CO 0.35 -1.32 -0.15 0.08 -1.57 0.00 0.00 175.55 172.95 1p43 s VAL 645 N -3.18 1.50 0.08 0.71 1.01 -1.26 -0.69 120.40 118.57 1p43 s VAL 645 Ca 0.58 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 1p43 s VAL 645 Cb -0.13 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.80 1p43 s VAL 645 CO 0.54 0.44 0.59 -0.76 0.00 0.00 0.00 175.10 175.91 1p43 s LEU 646 N 1.11 4.53 0.42 3.92 2.01 0.94 -4.62 118.68 126.99 1p43 s LEU 646 Ca -0.04 1.30 -0.16 0.00 0.01 0.00 0.00 54.13 55.24 1p43 s LEU 646 Cb -0.14 -2.93 -0.09 0.00 0.01 0.00 0.00 46.19 43.03 1p43 s LEU 646 CO -0.04 0.27 0.87 -2.16 1.01 0.00 0.00 176.35 176.30 1p43 s PRO 647 N -1.12 4.01 -0.01 1.29 0.04 -1.26 -1.45 135.00 136.50 1p43 s PRO 647 Ca 0.30 0.83 -0.28 0.00 0.04 0.00 0.00 61.00 61.89 1p43 s PRO 647 Cb -0.20 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1p43 s PRO 647 CO 0.20 -0.05 0.88 0.08 0.04 0.00 0.00 177.00 178.15 1p43 s VAL 648 N -2.28 4.88 -0.06 -0.36 1.01 -0.20 -4.82 120.40 118.57 1p43 s VAL 648 Ca 0.57 1.85 -0.23 0.00 0.00 0.00 0.00 61.98 64.17 1p43 s VAL 648 Cb -0.10 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1p43 s VAL 648 CO 0.23 0.22 0.69 -2.16 0.00 0.00 0.00 175.10 174.07 1p43 s PRO 649 N 0.78 4.43 -0.49 2.72 0.04 -1.26 -1.96 135.00 139.26 1p43 s PRO 649 Ca 0.46 0.86 -0.16 0.00 0.04 0.00 0.00 61.00 62.21 1p43 s PRO 649 Cb -0.20 -3.44 0.08 0.00 0.04 0.00 0.00 34.50 30.98 1p43 s PRO 649 CO 0.25 0.09 0.43 -0.06 0.04 0.00 0.00 177.00 177.75 1p43 s PHE 650 N 0.72 3.23 -0.36 0.56 0.40 0.32 -4.14 117.98 118.70 1p43 s PHE 650 Ca 0.37 -0.96 -0.18 0.00 -0.60 0.00 0.00 56.93 55.55 1p43 s PHE 650 Cb -0.18 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.04 1p43 s PHE 650 CO 0.18 -0.86 0.53 -0.51 0.70 0.00 0.00 175.22 175.26 1p43 s LEU 651 N 1.71 4.39 -1.08 -0.37 1.43 0.53 -4.03 118.68 121.26 1p43 s LEU 651 Ca 0.05 -0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.84 1p43 s LEU 651 Cb -0.25 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.39 1p43 s LEU 651 CO 0.06 -0.53 1.66 0.21 0.23 0.00 0.00 176.35 177.99 1p43 s ASN 652 N 1.79 6.18 0.04 2.29 3.04 -1.22 -0.34 114.94 126.71 1p43 s ASN 652 Ca 0.19 -1.57 0.26 0.00 0.04 0.00 0.00 52.86 51.78 1p43 s ASN 652 Cb -0.15 -2.57 0.63 0.00 -1.54 0.00 0.00 41.25 37.62 1p43 s ASN 652 CO 0.14 -1.82 1.52 1.33 -3.04 0.00 0.00 177.10 175.23 1p43 n VAL 653 N 7.05 0.13 -3.77 -5.21 0.24 -0.81 -3.21 118.33 112.74 1p43 n VAL 653 Ca 0.39 -0.09 -0.13 0.00 -2.04 0.00 0.00 64.34 62.48 1p43 n VAL 653 Cb 0.49 -0.05 -0.13 0.00 -1.47 0.00 0.00 33.84 32.68 1p43 n VAL 653 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1p43 s LEU 654 N -3.41 0.93 0.07 1.34 0.20 -1.06 -0.69 118.68 116.06 1p43 s LEU 654 Ca 0.10 0.39 0.03 0.00 0.69 0.00 0.00 54.13 55.35 1p43 s LEU 654 Cb 0.16 0.59 -0.04 0.00 -0.43 0.00 0.00 46.19 46.48 1p43 s LEU 654 CO 0.66 -0.11 0.06 0.20 -0.29 0.00 0.00 176.35 176.87 1p43 s ASN 655 N 0.66 5.43 0.00 3.68 0.01 -0.07 -1.45 114.94 123.19 1p43 s ASN 655 Ca -0.05 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 1p43 s ASN 655 Cb -0.06 -1.43 0.00 0.00 0.41 0.00 0.00 41.25 40.17 1p43 s ASN 655 CO -0.04 0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 1p43 n GLY 656 N 0.57 4.27 7.00 0.66 0.00 0.13 -4.64 105.19 113.17 1p43 n GLY 656 Ca -0.10 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1p43 n GLY 656 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p43 n GLY 657 N 0.00 1.77 0.05 -0.02 0.00 0.13 -1.95 105.19 105.17 1p43 n GLY 657 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.53 1p43 n GLY 657 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p43 n SER 658 N -0.72 0.21 -1.59 1.61 3.41 -1.26 -2.14 113.62 113.15 1p43 n SER 658 Ca 0.00 0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 59.08 1p43 n SER 658 Cb 0.00 -0.61 0.11 0.00 -0.26 0.00 0.00 64.21 63.45 1p43 n SER 658 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1p43 n HIS 659 N -1.76 1.53 0.00 7.33 -0.00 -0.82 -4.92 115.22 116.58 1p43 n HIS 659 Ca 0.01 -1.09 0.00 0.00 -0.00 0.00 0.00 57.72 56.64 1p43 n HIS 659 Cb 0.08 -0.57 0.00 0.00 -0.00 0.00 0.00 29.99 29.50 1p43 n HIS 659 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1p43 n ALA 660 N -0.27 0.00 -1.00 -1.41 0.00 -0.91 -4.39 120.51 112.54 1p43 n ALA 660 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1p43 n ALA 660 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 1p43 n ALA 660 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p43 n GLY 661 N -0.21 -0.48 1.39 0.00 0.00 -1.26 -4.69 105.19 99.94 1p43 n GLY 661 Ca 0.00 -1.43 0.19 0.00 0.00 0.00 0.00 46.02 44.78 1p43 n GLY 661 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p43 n GLY 662 N 3.84 -2.02 0.06 -0.02 0.00 -1.26 -4.37 105.19 101.42 1p43 n GLY 662 Ca 0.00 -1.16 0.12 0.00 0.00 0.00 0.00 46.02 44.98 1p43 n GLY 662 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p43 n ALA 663 N -2.44 3.83 -1.56 4.61 0.00 -0.92 -4.89 120.51 119.14 1p43 n ALA 663 Ca 0.00 -0.44 -0.57 0.00 0.00 0.00 0.00 53.44 52.43 1p43 n ALA 663 Cb 0.64 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 1p43 n ALA 663 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1p43 n LEU 664 N -1.32 1.95 -0.00 0.00 7.94 -0.66 -4.62 117.00 120.28 1p43 n LEU 664 Ca 0.06 0.83 -0.19 0.00 -1.11 0.00 0.00 56.01 55.60 1p43 n LEU 664 Cb 0.34 -1.11 -0.14 0.00 0.53 0.00 0.00 43.42 43.04 1p43 n LEU 664 CO 0.36 -0.60 -0.03 0.00 -1.11 0.00 0.00 177.39 176.01 1p43 h ALA 665 N 8.80 0.02 -2.41 1.96 0.00 -1.86 0.38 119.26 126.16 1p43 h ALA 665 Ca -0.35 -0.78 -0.58 0.00 0.00 0.00 0.00 54.91 53.20 1p43 h ALA 665 Cb 1.34 0.22 0.09 0.00 0.00 0.00 0.00 17.79 19.44 1p43 h ALA 665 CO 1.00 0.42 0.59 1.28 0.00 0.00 0.00 179.25 182.54 1p43 n LEU 666 N -4.22 3.28 -0.07 0.00 4.77 -1.26 -3.07 117.00 116.43 1p43 n LEU 666 Ca -0.17 1.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.88 1p43 n LEU 666 Cb 0.75 -1.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.33 1p43 n LEU 666 CO 0.41 -0.47 -0.14 -0.61 -1.33 0.00 0.00 177.39 175.25 1p43 h GLN 667 N 3.70 0.00 -5.73 3.23 4.15 -1.53 -1.90 115.11 117.04 1p43 h GLN 667 Ca -0.45 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.30 1p43 h GLN 667 Cb 1.28 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.71 1p43 h GLN 667 CO 0.72 0.45 -0.78 -0.65 -1.93 0.00 0.00 178.83 176.64 1p43 s GLN 668 N -2.08 3.01 -0.29 1.69 -0.21 0.57 0.18 119.66 122.53 1p43 s GLN 668 Ca -0.15 -0.71 0.03 0.00 0.02 0.00 0.00 55.36 54.55 1p43 s GLN 668 Cb 0.01 -2.50 0.08 0.00 1.00 0.00 0.00 33.01 31.60 1p43 s GLN 668 CO 0.35 0.37 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.79 1p43 s PHE 669 N -0.07 3.37 0.11 0.91 0.08 -0.53 -1.55 117.98 120.30 1p43 s PHE 669 Ca -0.03 -2.54 0.05 0.00 0.12 0.00 0.00 56.93 54.53 1p43 s PHE 669 Cb -0.14 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 1p43 s PHE 669 CO 0.04 -0.90 0.01 -1.64 -0.10 0.00 0.00 175.22 172.63 1p43 s MET 670 N 1.05 2.56 0.02 0.44 -1.94 0.56 -1.93 119.30 120.06 1p43 s MET 670 Ca -0.01 -0.88 0.03 0.00 -1.71 0.00 0.00 55.69 53.12 1p43 s MET 670 Cb -0.19 -2.52 -0.04 0.00 2.01 0.00 0.00 34.83 34.09 1p43 s MET 670 CO -0.07 0.52 -0.03 0.96 -0.01 0.00 0.00 175.02 176.40 1p43 s ILE 671 N -1.41 3.93 -0.21 2.53 -4.36 0.53 -0.85 121.20 121.36 1p43 s ILE 671 Ca 0.26 -0.75 -0.03 0.00 -0.26 0.00 0.00 60.65 59.88 1p43 s ILE 671 Cb -0.11 -2.76 0.07 0.00 1.25 0.00 0.00 42.46 40.90 1p43 s ILE 671 CO 0.19 0.33 0.05 0.00 0.24 0.00 0.00 174.94 175.75 1p43 s ALA 672 N -1.10 0.98 -1.26 2.27 0.00 0.37 -0.35 121.76 122.67 1p43 s ALA 672 Ca 0.20 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 1p43 s ALA 672 Cb -0.11 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1p43 s ALA 672 CO 0.11 -1.26 2.25 -2.30 0.00 0.00 0.00 175.76 174.56 1p43 n PRO 673 N 5.06 2.57 0.29 0.00 -0.02 -1.26 -0.39 135.00 141.25 1p43 n PRO 673 Ca -0.08 -2.26 0.18 0.00 -2.02 0.00 0.00 63.50 59.32 1p43 n PRO 673 Cb 0.46 -3.06 0.81 0.00 -0.02 0.00 0.00 33.50 31.70 1p43 n PRO 673 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1p43 h THR 674 N 3.93 0.09 0.00 3.45 1.35 -1.83 -2.80 112.91 117.10 1p43 h THR 674 Ca 0.57 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1p43 h THR 674 Cb 0.56 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1p43 h THR 674 CO 1.86 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 177.77 1p43 n GLY 675 N -0.31 -1.42 3.74 5.82 0.00 -0.06 -2.78 105.19 110.18 1p43 n GLY 675 Ca -0.01 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1p43 n GLY 675 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p43 s ALA 676 N -2.90 2.08 -0.44 4.61 0.00 -1.06 -4.97 121.76 119.09 1p43 s ALA 676 Ca 0.17 0.38 0.22 0.00 0.00 0.00 0.00 51.96 52.73 1p43 s ALA 676 Cb 0.19 -3.32 -0.29 0.00 0.00 0.00 0.00 23.12 19.70 1p43 s ALA 676 CO 0.50 -1.97 0.66 1.63 0.00 0.00 0.00 175.76 176.58 1p43 n LYS 677 N -3.59 0.38 -4.10 0.00 4.76 -1.26 -4.73 118.16 109.62 1p43 n LYS 677 Ca 0.10 -0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.32 1p43 n LYS 677 Cb 0.53 -1.51 -0.09 0.00 -1.84 0.00 0.00 35.03 32.11 1p43 n LYS 677 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1p43 s THR 678 N -3.30 0.06 0.20 -0.18 -4.23 -1.26 -4.58 115.64 102.35 1p43 s THR 678 Ca -0.01 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 58.70 1p43 s THR 678 Cb 0.15 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.86 1p43 s THR 678 CO 0.89 -0.28 1.56 0.15 -0.54 0.00 0.00 174.62 176.41 1p43 h PHE 679 N 2.68 0.81 -0.60 3.99 3.04 -1.94 -1.10 116.94 123.82 1p43 h PHE 679 Ca -0.34 -0.23 -0.03 0.00 3.98 0.00 0.00 57.97 61.34 1p43 h PHE 679 Cb 1.22 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.53 1p43 h PHE 679 CO 0.40 0.96 0.24 0.00 -2.02 0.00 0.00 178.31 177.89 1p43 h ALA 680 N 1.01 1.29 -0.26 2.41 0.00 -1.96 0.31 119.26 122.05 1p43 h ALA 680 Ca 0.05 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1p43 h ALA 680 Cb 0.92 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1p43 h ALA 680 CO 0.08 0.53 -0.51 1.49 0.00 0.00 0.00 179.25 180.84 1p43 h GLU 681 N 0.86 0.81 -0.61 0.00 4.81 -1.92 -1.94 114.58 116.59 1p43 h GLU 681 Ca 0.20 -0.52 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1p43 h GLU 681 Cb 0.17 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1p43 h GLU 681 CO -0.02 1.15 0.38 0.00 -0.73 0.00 0.00 179.01 179.79 1p43 h ALA 682 N 0.65 0.79 -0.41 2.92 0.00 -0.54 0.73 119.26 123.40 1p43 h ALA 682 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1p43 h ALA 682 Cb 1.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1p43 h ALA 682 CO 0.11 0.12 -0.07 1.25 0.00 0.00 0.00 179.25 180.67 1p43 h LEU 683 N 0.75 0.76 0.15 0.00 5.85 -0.89 0.16 115.31 122.08 1p43 h LEU 683 Ca 0.24 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1p43 h LEU 683 Cb 0.01 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1p43 h LEU 683 CO -0.10 0.93 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.77 1p43 h ARG 684 N 0.58 -0.19 -0.58 1.25 2.43 -0.97 0.14 114.38 117.04 1p43 h ARG 684 Ca 0.11 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1p43 h ARG 684 Cb 0.58 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 1p43 h ARG 684 CO 0.03 -0.11 0.25 0.82 -1.51 0.00 0.00 179.97 179.45 1p43 h ILE 685 N -0.21 0.86 -0.84 1.20 2.04 -0.77 -0.72 117.51 119.07 1p43 h ILE 685 Ca -0.02 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1p43 h ILE 685 Cb 0.17 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1p43 h ILE 685 CO 0.03 0.09 0.50 1.23 0.00 0.00 0.00 178.15 180.00 1p43 h GLY 686 N 0.47 1.23 1.43 5.37 0.00 -0.26 -1.64 103.07 109.67 1p43 h GLY 686 Ca 0.27 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1p43 h GLY 686 CO -0.24 0.50 -0.11 1.48 0.00 0.00 0.00 176.54 178.18 1p43 h SER 687 N 1.16 0.66 -0.37 0.19 4.64 0.18 -1.92 113.55 118.08 1p43 h SER 687 Ca 0.30 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1p43 h SER 687 Cb -0.03 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1p43 h SER 687 CO -0.06 0.80 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.31 1p43 h GLU 688 N 0.62 0.70 -0.72 4.77 5.08 -0.67 -1.46 114.58 122.90 1p43 h GLU 688 Ca 0.11 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1p43 h GLU 688 Cb 0.55 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1p43 h GLU 688 CO 0.03 0.83 0.33 0.28 -1.00 0.00 0.00 179.01 179.49 1p43 h VAL 689 N 0.50 1.24 -0.25 3.13 2.07 -1.16 -1.78 116.25 119.99 1p43 h VAL 689 Ca 0.10 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1p43 h VAL 689 Cb 0.56 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1p43 h VAL 689 CO 0.03 0.29 0.16 0.22 0.02 0.00 0.00 177.57 178.28 1p43 h TYR 690 N 1.01 0.29 -0.46 1.57 3.20 -1.16 0.98 116.97 122.41 1p43 h TYR 690 Ca 0.24 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 1p43 h TYR 690 Cb 0.14 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1p43 h TYR 690 CO 0.01 0.18 -0.01 0.45 -1.64 0.00 0.00 178.16 177.15 1p43 h HIS 691 N 0.32 0.82 -0.61 -3.82 3.86 -1.09 0.11 115.15 114.74 1p43 h HIS 691 Ca 0.09 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 1p43 h HIS 691 Cb -0.02 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 1p43 h HIS 691 CO -0.07 0.76 0.05 -0.91 0.86 0.00 0.00 177.93 178.63 1p43 h ASN 692 N 0.72 0.99 -0.17 2.45 2.35 -0.97 -1.53 115.58 119.42 1p43 h ASN 692 Ca 0.14 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1p43 h ASN 692 Cb 0.45 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1p43 h ASN 692 CO 0.02 1.02 0.08 0.25 -1.65 0.00 0.00 177.43 177.15 1p43 h LEU 693 N 0.95 0.22 -0.46 1.61 5.85 -0.04 -1.22 115.31 122.23 1p43 h LEU 693 Ca 0.18 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1p43 h LEU 693 Cb 0.48 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1p43 h LEU 693 CO 0.02 0.29 0.22 0.11 -0.34 0.00 0.00 178.44 178.74 1p43 h LYS 694 N 0.14 0.43 -0.40 1.25 1.57 -0.55 0.67 116.57 119.68 1p43 h LYS 694 Ca 0.06 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1p43 h LYS 694 Cb 0.13 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1p43 h LYS 694 CO -0.01 0.28 0.18 0.66 -0.57 0.00 0.00 179.45 180.00 1p43 h SER 695 N 0.44 0.53 -0.71 0.86 4.64 -1.09 -2.03 113.55 116.19 1p43 h SER 695 Ca 0.21 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1p43 h SER 695 Cb 0.13 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 1p43 h SER 695 CO -0.16 0.52 0.31 -0.07 -0.87 0.00 0.00 176.83 176.56 1p43 h LEU 696 N 0.50 0.95 -0.43 5.97 3.38 -0.87 -2.09 115.31 122.72 1p43 h LEU 696 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1p43 h LEU 696 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1p43 h LEU 696 CO -0.02 0.84 0.23 0.74 0.09 0.00 0.00 178.44 180.32 1p43 h THR 697 N 1.00 1.17 -0.60 0.22 2.02 -0.68 -1.69 112.91 114.33 1p43 h THR 697 Ca 0.24 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1p43 h THR 697 Cb 0.17 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1p43 h THR 697 CO -0.02 0.18 0.16 0.11 0.37 0.00 0.00 175.52 176.31 1p43 h LYS 698 N 0.56 0.93 -0.45 6.66 1.57 -1.21 0.36 116.57 124.99 1p43 h LYS 698 Ca 0.15 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1p43 h LYS 698 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1p43 h LYS 698 CO -0.02 0.82 -0.16 -0.22 -0.57 0.00 0.00 179.45 179.30 1p43 h LYS 699 N 0.90 0.87 0.09 3.15 3.64 -1.07 0.37 116.57 124.51 1p43 h LYS 699 Ca 0.20 -0.33 -0.32 0.00 -1.27 0.00 0.00 60.65 58.93 1p43 h LYS 699 Cb 0.30 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1p43 h LYS 699 CO -0.00 0.97 -1.70 0.00 -2.27 0.00 0.00 179.45 176.44 1p43 h ARG 700 N 0.77 0.18 0.00 1.90 3.08 -1.10 -3.40 114.38 115.81 1p43 h ARG 700 Ca 0.12 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1p43 h ARG 700 Cb 0.69 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1p43 h ARG 700 CO 0.05 0.97 -0.50 0.66 -1.07 0.00 0.00 179.97 180.09 1p43 n TYR 701 N -3.35 0.00 0.00 3.04 4.01 0.12 -5.10 117.16 115.89 1p43 n TYR 701 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1p43 n TYR 701 Cb 1.04 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 1p43 n TYR 701 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1p43 n GLY 702 N 1.29 1.36 0.24 2.72 0.00 0.13 -4.52 105.19 106.41 1p43 n GLY 702 Ca 0.01 -2.02 -0.02 0.00 0.00 0.00 0.00 46.02 43.99 1p43 n GLY 702 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p43 h ALA 703 N 0.00 0.82 -0.72 4.61 0.00 -1.90 -2.96 119.26 119.10 1p43 h ALA 703 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1p43 h ALA 703 Cb 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 17.57 1p43 h ALA 703 CO 0.00 0.00 -0.46 0.66 0.00 0.00 0.00 179.25 179.45 1p43 h SER 704 N 0.62 -1.61 -0.25 0.00 4.64 -1.94 0.35 113.55 115.36 1p43 h SER 704 Ca 0.28 0.27 0.07 0.00 -0.47 0.00 0.00 61.79 61.95 1p43 h SER 704 Cb 0.18 0.75 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1p43 h SER 704 CO -0.18 -0.31 0.20 0.00 -0.87 0.00 0.00 176.83 175.67 1p43 h ALA 705 N 0.72 2.14 0.00 5.18 0.00 -1.75 -1.02 119.26 124.54 1p43 h ALA 705 Ca 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1p43 h ALA 705 Cb 0.55 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1p43 h ALA 705 CO -0.79 -0.33 -0.01 0.78 0.00 0.00 0.00 179.25 178.90 1p43 h GLY 706 N 0.00 0.00 -1.54 0.00 0.00 -0.29 -3.22 103.07 98.02 1p43 h GLY 706 Ca 0.12 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.93 1p43 h GLY 706 CO -0.00 0.00 -0.12 0.70 0.00 0.00 0.00 176.54 177.12 1p43 n ASN 707 N -4.50 -0.70 -4.74 0.19 5.03 -0.39 -4.80 115.26 105.35 1p43 n ASN 707 Ca -0.03 0.37 -0.28 0.00 0.87 0.00 0.00 54.58 55.52 1p43 n ASN 707 Cb 0.10 -1.36 -0.07 0.00 -1.02 0.00 0.00 39.78 37.43 1p43 n ASN 707 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1p43 s VAL 708 N -2.54 4.24 0.64 2.41 -7.23 -1.26 -3.61 120.40 113.05 1p43 s VAL 708 Ca 0.63 -1.08 -0.09 0.00 -1.81 0.00 0.00 61.98 59.62 1p43 s VAL 708 Cb -0.22 -3.11 0.14 0.00 0.56 0.00 0.00 36.38 33.75 1p43 s VAL 708 CO 0.62 -0.02 0.87 0.61 -0.31 0.00 0.00 175.10 176.86 1p43 n GLY 709 N 0.02 -1.04 0.39 2.32 0.00 0.11 -4.87 105.19 102.13 1p43 n GLY 709 Ca -0.09 -1.75 0.18 0.00 0.00 0.00 0.00 46.02 44.37 1p43 n GLY 709 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1p43 h ASP 710 N -1.06 0.25 -0.74 1.61 3.32 -1.93 -1.75 116.42 116.14 1p43 h ASP 710 Ca -0.28 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1p43 h ASP 710 Cb 0.81 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1p43 h ASP 710 CO 0.21 0.12 0.00 -0.62 -1.72 0.00 0.00 179.24 177.24 1p43 n GLU 711 N -4.44 2.75 0.00 3.56 1.02 -1.26 -4.95 120.64 117.32 1p43 n GLU 711 Ca 0.14 -2.67 0.00 0.00 -0.02 0.00 0.00 57.16 54.61 1p43 n GLU 711 Cb 0.62 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1p43 n GLU 711 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p43 n GLY 712 N 1.64 1.85 3.85 0.62 0.00 -0.66 -1.51 105.19 111.00 1p43 n GLY 712 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1p43 n GLY 712 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p43 s GLY 713 N -2.47 1.63 0.61 -0.02 0.00 -1.20 -4.60 107.32 101.28 1p43 s GLY 713 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.35 1p43 s GLY 713 CO 0.00 0.13 1.04 -1.34 0.00 0.00 0.00 173.10 172.93 1p43 s VAL 714 N -3.25 4.21 -0.40 1.40 -7.23 0.13 0.10 120.40 115.35 1p43 s VAL 714 Ca 0.58 0.88 0.08 0.00 -1.81 0.00 0.00 61.98 61.72 1p43 s VAL 714 Cb -0.12 -3.55 0.26 0.00 0.56 0.00 0.00 36.38 33.52 1p43 s VAL 714 CO 0.53 -0.78 0.61 0.00 -0.31 0.00 0.00 175.10 175.15 1p43 n ALA 715 N -2.41 1.77 -1.62 1.32 0.00 -1.22 -0.89 120.51 117.47 1p43 n ALA 715 Ca 0.07 -3.07 -0.29 0.00 0.00 0.00 0.00 53.44 50.15 1p43 n ALA 715 Cb 0.54 -0.91 0.10 0.00 0.00 0.00 0.00 19.45 19.18 1p43 n ALA 715 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p43 s PRO 716 N -1.01 1.75 -0.99 0.00 0.04 -1.26 -4.66 135.00 128.88 1p43 s PRO 716 Ca 0.35 0.41 -0.23 0.00 0.04 0.00 0.00 61.00 61.57 1p43 s PRO 716 Cb 0.20 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.86 1p43 s PRO 716 CO -0.13 -1.80 1.58 -0.80 0.04 0.00 0.00 177.00 175.89 1p43 s ASN 717 N -4.08 6.15 -0.08 6.66 0.02 -1.26 -4.52 114.94 117.83 1p43 s ASN 717 Ca 0.62 -1.24 -0.03 0.00 -1.02 0.00 0.00 52.86 51.18 1p43 s ASN 717 Cb -0.14 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.53 1p43 s ASN 717 CO 0.53 -1.83 0.08 -0.63 0.02 0.00 0.00 177.10 175.27 1p43 s ILE 718 N 6.30 4.91 -0.19 0.60 1.01 -1.26 -4.72 121.20 127.85 1p43 s ILE 718 Ca 0.52 -0.11 0.10 0.00 0.00 0.00 0.00 60.65 61.16 1p43 s ILE 718 Cb -0.02 -3.15 -0.22 0.00 0.01 0.00 0.00 42.46 39.08 1p43 s ILE 718 CO -0.07 0.54 0.09 0.00 0.00 0.00 0.00 174.94 175.49 1p43 n GLN 719 N 1.80 0.68 -4.31 2.79 1.13 -1.26 -1.65 117.38 116.55 1p43 n GLN 719 Ca -0.17 0.11 -0.17 0.00 -1.94 0.00 0.00 57.00 54.83 1p43 n GLN 719 Cb 0.54 -1.58 -0.10 0.00 0.11 0.00 0.00 30.24 29.21 1p43 n GLN 719 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1p43 s THR 720 N -2.52 1.43 0.18 5.09 -4.23 -1.26 -2.79 115.64 111.53 1p43 s THR 720 Ca -0.18 -2.13 -0.10 0.00 -1.18 0.00 0.00 61.69 58.11 1p43 s THR 720 Cb 0.07 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 71.93 1p43 s THR 720 CO 0.75 -0.60 1.64 0.00 -0.54 0.00 0.00 174.62 175.88 1p43 h ALA 721 N 2.61 0.80 -0.61 3.99 0.00 -1.97 -2.52 119.26 121.55 1p43 h ALA 721 Ca -0.38 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.25 1p43 h ALA 721 Cb 1.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1p43 h ALA 721 CO 0.63 0.62 0.40 0.93 0.00 0.00 0.00 179.25 181.84 1p43 h GLU 722 N 0.94 0.75 -0.17 0.00 3.07 -1.98 0.69 114.58 117.88 1p43 h GLU 722 Ca 0.17 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1p43 h GLU 722 Cb 0.53 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1p43 h GLU 722 CO 0.03 0.50 0.06 1.49 -1.40 0.00 0.00 179.01 179.68 1p43 h GLU 723 N 0.78 0.26 -0.14 2.33 4.81 -1.87 0.13 114.58 120.87 1p43 h GLU 723 Ca 0.23 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1p43 h GLU 723 Cb -0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1p43 h GLU 723 CO -0.06 0.36 0.02 0.00 -0.73 0.00 0.00 179.01 178.60 1p43 h ALA 724 N 0.89 0.19 -0.76 2.92 0.00 -1.11 -2.53 119.26 118.86 1p43 h ALA 724 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1p43 h ALA 724 Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1p43 h ALA 724 CO -0.00 -0.15 0.32 -0.07 0.00 0.00 0.00 179.25 179.35 1p43 h LEU 725 N 0.01 1.01 -0.92 0.00 3.38 -0.84 -1.74 115.31 116.22 1p43 h LEU 725 Ca 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1p43 h LEU 725 Cb 0.31 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1p43 h LEU 725 CO 0.00 0.89 0.45 0.44 0.09 0.00 0.00 178.44 180.31 1p43 h ASP 726 N 1.09 1.10 -0.37 -0.43 5.19 -0.91 -0.46 116.42 121.63 1p43 h ASP 726 Ca 0.26 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1p43 h ASP 726 Cb 0.17 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 1p43 h ASP 726 CO -0.03 0.89 0.18 0.25 -3.12 0.00 0.00 179.24 177.42 1p43 h LEU 727 N 1.22 0.48 -0.35 1.55 6.46 -0.98 0.70 115.31 124.38 1p43 h LEU 727 Ca 0.30 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1p43 h LEU 727 Cb 0.06 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1p43 h LEU 727 CO -0.04 0.46 0.21 0.40 -0.62 0.00 0.00 178.44 178.84 1p43 h ILE 728 N 0.46 1.12 -0.79 4.05 2.04 -0.88 -0.96 117.51 122.54 1p43 h ILE 728 Ca 0.13 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1p43 h ILE 728 Cb 0.10 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1p43 h ILE 728 CO -0.02 0.12 0.34 0.58 0.00 0.00 0.00 178.15 179.18 1p43 h VAL 729 N 0.46 1.26 -0.79 1.67 2.07 -0.86 0.08 116.25 120.14 1p43 h VAL 729 Ca 0.13 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1p43 h VAL 729 Cb 0.02 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 1p43 h VAL 729 CO -0.02 0.32 0.51 0.44 0.02 0.00 0.00 177.57 178.84 1p43 h ASP 730 N 1.14 0.92 -0.55 0.57 3.32 -0.39 0.03 116.42 121.47 1p43 h ASP 730 Ca 0.27 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 1p43 h ASP 730 Cb 0.17 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1p43 h ASP 730 CO -0.03 0.68 0.14 0.00 -1.72 0.00 0.00 179.24 178.31 1p43 h ALA 731 N 1.28 0.72 -0.28 3.45 0.00 -0.44 0.25 119.26 124.24 1p43 h ALA 731 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p43 h ALA 731 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1p43 h ALA 731 CO -0.06 0.42 0.18 0.82 0.00 0.00 0.00 179.25 180.61 1p43 h ILE 732 N 0.78 1.09 -0.21 0.00 2.04 -0.54 -1.16 117.51 119.50 1p43 h ILE 732 Ca 0.17 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1p43 h ILE 732 Cb 0.33 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1p43 h ILE 732 CO 0.00 0.08 0.00 0.11 0.00 0.00 0.00 178.15 178.35 1p43 h LYS 733 N 0.37 0.37 -0.26 2.37 1.57 -0.72 -1.96 116.57 118.32 1p43 h LYS 733 Ca 0.10 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1p43 h LYS 733 Cb -0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1p43 h LYS 733 CO -0.02 0.56 0.18 0.00 -0.57 0.00 0.00 179.45 179.60 1p43 h ALA 734 N 0.80 2.03 0.00 3.86 0.00 -0.39 0.79 119.26 126.34 1p43 h ALA 734 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1p43 h ALA 734 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1p43 h ALA 734 CO 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.16 1p43 n ALA 735 N -2.54 2.37 -1.21 0.00 0.00 -0.45 -4.93 120.51 113.75 1p43 n ALA 735 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1p43 n ALA 735 Cb 0.21 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1p43 n ALA 735 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p43 n GLY 736 N 1.44 0.49 0.59 0.00 0.00 0.27 -4.96 105.19 103.03 1p43 n GLY 736 Ca 0.06 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.26 1p43 n GLY 736 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1p43 n HIS 737 N -3.16 0.57 -1.66 1.61 8.25 -0.77 -5.03 115.22 115.02 1p43 n HIS 737 Ca 0.00 -1.01 -0.46 0.00 -0.26 0.00 0.00 57.72 55.99 1p43 n HIS 737 Cb 0.16 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 30.97 1p43 n HIS 737 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1p43 n ASP 738 N -0.94 2.93 0.00 0.41 2.03 -1.25 -0.98 116.55 118.76 1p43 n ASP 738 Ca 0.20 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.61 1p43 n ASP 738 Cb 0.80 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 1p43 n ASP 738 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p43 n GLY 739 N 3.08 2.94 0.00 0.27 0.00 -1.26 -4.82 105.19 105.40 1p43 n GLY 739 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1p43 n GLY 739 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p43 n LYS 740 N -2.00 2.01 -4.69 1.61 5.02 -0.15 -4.80 118.16 115.15 1p43 n LYS 740 Ca 0.00 -0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 55.96 1p43 n LYS 740 Cb 0.00 -1.20 -0.17 0.00 -0.02 0.00 0.00 35.03 33.65 1p43 n LYS 740 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1p43 s VAL 741 N -2.45 1.85 0.54 -0.18 1.01 -1.16 -0.88 120.40 119.14 1p43 s VAL 741 Ca 0.03 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1p43 s VAL 741 Cb 0.10 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.89 1p43 s VAL 741 CO 0.58 0.51 0.56 -0.54 0.00 0.00 0.00 175.10 176.21 1p43 s LYS 742 N 0.79 2.31 0.05 2.72 -0.14 0.47 -4.88 119.74 121.05 1p43 s LYS 742 Ca -0.09 -1.82 0.08 0.00 -1.36 0.00 0.00 55.97 52.78 1p43 s LYS 742 Cb -0.16 -2.35 -0.03 0.00 -1.68 0.00 0.00 37.83 33.62 1p43 s LYS 742 CO 0.00 -0.67 -0.22 0.42 -0.76 0.00 0.00 175.35 174.12 1p43 s ILE 743 N -2.70 1.80 0.03 2.17 1.01 0.06 -0.48 121.20 123.10 1p43 s ILE 743 Ca 0.46 -1.26 0.05 0.00 0.00 0.00 0.00 60.65 59.90 1p43 s ILE 743 Cb -0.04 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 1p43 s ILE 743 CO 0.29 0.24 -0.14 -0.83 0.00 0.00 0.00 174.94 174.50 1p43 s GLY 744 N -1.21 0.79 0.16 6.18 0.00 -0.03 -0.27 107.32 112.95 1p43 s GLY 744 Ca 0.09 -0.81 0.09 0.00 0.00 0.00 0.00 44.72 44.08 1p43 s GLY 744 CO 0.02 -0.78 -0.20 1.08 0.00 0.00 0.00 173.10 173.23 1p43 s LEU 745 N -1.05 2.42 -0.27 0.66 1.43 0.15 -0.32 118.68 121.70 1p43 s LEU 745 Ca 0.02 -0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 52.27 1p43 s LEU 745 Cb -0.08 -0.90 0.09 0.00 0.03 0.00 0.00 46.19 45.33 1p43 s LEU 745 CO 0.01 0.01 0.08 -0.62 0.23 0.00 0.00 176.35 176.06 1p43 s ASP 746 N -2.56 3.61 0.24 2.29 -1.08 -0.59 -0.19 116.67 118.38 1p43 s ASP 746 Ca 0.15 -1.32 0.10 0.00 -0.52 0.00 0.00 52.55 50.97 1p43 s ASP 746 Cb -0.07 -0.72 0.23 0.00 -1.46 0.00 0.00 42.92 40.90 1p43 s ASP 746 CO 0.07 -0.38 1.54 0.00 0.52 0.00 0.00 175.17 176.92 1p43 n ALA 748 N -2.40 -1.67 0.25 0.00 0.00 -1.23 -3.42 120.51 112.04 1p43 n ALA 748 Ca -0.01 -0.13 0.18 0.00 0.00 0.00 0.00 53.44 53.48 1p43 n ALA 748 Cb 0.69 -2.49 0.83 0.00 0.00 0.00 0.00 19.45 18.49 1p43 n ALA 748 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1p43 h SER 749 N -1.74 0.00 0.04 0.00 4.64 -1.76 -1.47 113.55 113.25 1p43 h SER 749 Ca -0.61 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1p43 h SER 749 Cb 1.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1p43 h SER 749 CO 0.68 0.00 -0.02 0.28 -0.87 0.00 0.00 176.83 176.91 1p43 h SER 750 N 0.00 0.00 0.99 4.97 0.02 -1.83 -1.80 113.55 115.90 1p43 h SER 750 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1p43 h SER 750 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1p43 h SER 750 CO -0.00 0.02 0.00 -0.33 -1.14 0.00 0.00 176.83 175.38 1p43 h GLU 751 N 0.00 0.00 0.00 3.45 5.08 -1.61 -3.14 114.58 118.37 1p43 h GLU 751 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1p43 h GLU 751 Cb 0.04 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1p43 h GLU 751 CO 0.00 0.00 -0.46 1.97 -1.00 0.00 0.00 179.01 179.52 1p43 n PHE 752 N -2.48 0.00 -3.23 4.33 1.16 -0.72 -5.03 117.46 111.49 1p43 n PHE 752 Ca 0.02 -0.78 -0.39 0.00 -1.87 0.00 0.00 57.45 54.43 1p43 n PHE 752 Cb 0.30 -0.15 -0.06 0.00 -1.61 0.00 0.00 39.48 37.95 1p43 n PHE 752 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1p43 s PHE 753 N -1.69 3.40 -0.23 2.97 5.36 -0.95 -0.92 117.98 125.92 1p43 s PHE 753 Ca 0.26 0.82 -0.02 0.00 -0.96 0.00 0.00 56.93 57.03 1p43 s PHE 753 Cb 0.26 -2.67 0.07 0.00 -0.34 0.00 0.00 43.02 40.33 1p43 s PHE 753 CO -0.04 -0.07 0.03 0.15 -1.46 0.00 0.00 175.22 173.83 1p43 s LYS 754 N 1.52 0.86 -1.02 10.12 1.02 0.20 -4.93 119.74 127.51 1p43 s LYS 754 Ca 0.25 -0.67 -0.24 0.00 0.02 0.00 0.00 55.97 55.33 1p43 s LYS 754 Cb -0.15 -2.18 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1p43 s LYS 754 CO 0.10 -0.71 0.60 -0.25 -0.92 0.00 0.00 175.35 174.18 1p43 n ASP 755 N 4.93 -3.91 0.00 2.83 8.00 -1.26 -1.27 116.55 125.87 1p43 n ASP 755 Ca -0.08 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1p43 n ASP 755 Cb 0.45 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1p43 n ASP 755 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p43 n GLY 756 N -1.89 2.95 3.75 0.44 0.00 -1.26 -5.02 105.19 104.15 1p43 n GLY 756 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1p43 n GLY 756 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p43 s LYS 757 N -0.18 2.41 -0.15 1.61 1.02 -0.40 -4.40 119.74 119.65 1p43 s LYS 757 Ca 0.00 -1.53 0.01 0.00 0.02 0.00 0.00 55.97 54.47 1p43 s LYS 757 Cb 0.00 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1p43 s LYS 757 CO 0.00 0.10 -0.18 0.71 -0.92 0.00 0.00 175.35 175.06 1p43 s TYR 758 N -2.42 2.73 -0.51 3.18 1.51 0.80 0.60 117.35 123.23 1p43 s TYR 758 Ca 0.38 -1.15 -0.16 0.00 -1.01 0.00 0.00 57.07 55.13 1p43 s TYR 758 Cb -0.03 -1.85 0.10 0.00 -0.11 0.00 0.00 41.96 40.07 1p43 s TYR 758 CO 0.23 -0.52 0.48 0.34 -1.11 0.00 0.00 175.55 174.97 1p43 s ASP 759 N 0.77 6.17 0.00 2.29 2.15 -0.10 -0.76 116.67 127.20 1p43 s ASP 759 Ca -0.07 -1.50 0.08 0.00 0.43 0.00 0.00 52.55 51.50 1p43 s ASP 759 Cb -0.16 -2.21 0.50 0.00 -0.30 0.00 0.00 42.92 40.75 1p43 s ASP 759 CO -0.00 -0.79 1.02 0.18 -0.17 0.00 0.00 175.17 175.41 1p43 n LEU 760 N 5.38 0.00 -2.74 -1.34 7.99 -1.26 -2.53 117.00 122.50 1p43 n LEU 760 Ca -0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.84 1p43 n LEU 760 Cb 0.42 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.78 1p43 n LEU 760 CO 0.51 0.00 -0.00 -0.67 -1.51 0.00 0.00 177.39 175.72 1p43 n ASP 761 N -0.71 1.89 0.20 -1.43 2.03 -1.26 -4.16 116.55 113.11 1p43 n ASP 761 Ca 0.06 -2.28 0.15 0.00 0.52 0.00 0.00 54.79 53.24 1p43 n ASP 761 Cb 0.03 -0.47 0.68 0.00 -0.72 0.00 0.00 41.12 40.64 1p43 n ASP 761 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1p43 h PHE 762 N 2.62 0.00 0.00 -0.67 -5.15 -1.80 -1.83 116.94 110.10 1p43 h PHE 762 Ca -0.08 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.69 1p43 h PHE 762 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 1p43 h PHE 762 CO 0.53 0.00 0.00 1.63 -2.00 0.00 0.00 178.31 178.47 1p43 n LYS 763 N -2.55 0.22 -3.72 6.09 5.02 -1.26 -4.61 118.16 117.35 1p43 n LYS 763 Ca -0.00 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.97 1p43 n LYS 763 Cb 0.16 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.54 1p43 n LYS 763 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1p43 s ASN 764 N -2.75 5.26 0.45 4.39 2.47 -0.69 -4.99 114.94 119.09 1p43 s ASN 764 Ca 0.19 -0.35 0.14 0.00 0.42 0.00 0.00 52.86 53.26 1p43 s ASN 764 Cb 0.17 -1.94 1.06 0.00 -1.45 0.00 0.00 41.25 39.09 1p43 s ASN 764 CO 0.42 -0.10 2.03 1.55 -3.72 0.00 0.00 177.10 177.28 1p43 h PRO 765 N 8.27 0.33 -1.06 0.43 0.13 -1.85 -1.74 132.00 136.50 1p43 h PRO 765 Ca -0.36 -0.02 -0.50 0.00 -0.87 0.00 0.00 66.00 64.25 1p43 h PRO 765 Cb 1.16 -0.07 -0.26 0.00 0.13 0.00 0.00 31.00 31.96 1p43 h PRO 765 CO 0.59 0.22 0.65 0.09 -0.23 0.00 0.00 178.00 179.31 1p43 n ASN 766 N -4.47 5.19 -4.69 1.44 3.02 -1.26 -4.99 115.26 109.49 1p43 n ASN 766 Ca 0.06 -3.47 -0.44 0.00 -0.03 0.00 0.00 54.58 50.70 1p43 n ASN 766 Cb 0.27 -0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 38.53 1p43 n ASN 766 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1p43 n SER 767 N -0.78 3.29 -4.58 6.41 2.88 -0.66 -4.87 113.62 115.31 1p43 n SER 767 Ca 0.53 1.11 -0.41 0.00 -1.33 0.00 0.00 58.87 58.77 1p43 n SER 767 Cb 1.15 -1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 63.10 1p43 n SER 767 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1p43 s ASP 768 N 0.70 5.68 0.59 -3.46 3.68 -1.26 -4.84 116.67 117.76 1p43 s ASP 768 Ca 0.72 0.75 0.37 0.00 2.13 0.00 0.00 52.55 56.52 1p43 s ASP 768 Cb -0.61 -2.53 2.01 0.00 -1.45 0.00 0.00 42.92 40.34 1p43 s ASP 768 CO 0.42 -1.97 2.13 0.11 0.13 0.00 0.00 175.17 175.98 1p43 h LYS 769 N 13.42 0.00 0.00 4.34 6.56 -1.99 -0.27 116.57 138.63 1p43 h LYS 769 Ca -0.29 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1p43 h LYS 769 Cb 1.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 1p43 h LYS 769 CO 1.13 0.00 0.00 0.45 -2.06 0.00 0.00 179.45 178.97 1p43 n SER 770 N -2.85 0.07 -0.51 0.86 2.88 -1.26 -3.22 113.62 109.60 1p43 n SER 770 Ca -0.02 0.51 0.08 0.00 -1.33 0.00 0.00 58.87 58.10 1p43 n SER 770 Cb 0.12 -0.53 0.04 0.00 -0.75 0.00 0.00 64.21 63.09 1p43 n SER 770 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1p43 n LYS 771 N -1.57 1.40 -1.91 -1.46 5.02 -0.11 -4.97 118.16 114.55 1p43 n LYS 771 Ca 0.06 -1.17 -0.42 0.00 -2.02 0.00 0.00 58.31 54.76 1p43 n LYS 771 Cb 0.32 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1p43 n LYS 771 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1p43 s TRP 772 N -1.48 3.01 0.33 2.13 0.52 -1.20 -4.84 118.94 117.41 1p43 s TRP 772 Ca 0.16 0.69 -0.11 0.00 0.02 0.00 0.00 56.10 56.86 1p43 s TRP 772 Cb 0.13 -3.94 -0.07 0.00 -1.15 0.00 0.00 33.47 28.43 1p43 s TRP 772 CO 0.26 -3.38 0.68 -0.51 0.02 0.00 0.00 176.95 174.03 1p43 s LEU 773 N 0.70 4.00 0.68 2.99 1.43 0.06 -4.79 118.68 123.75 1p43 s LEU 773 Ca 0.68 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.83 1p43 s LEU 773 Cb -0.44 -3.90 0.09 0.00 0.03 0.00 0.00 46.19 41.96 1p43 s LEU 773 CO 0.35 -0.25 0.95 0.42 0.23 0.00 0.00 176.35 178.06 1p43 s THR 774 N -2.10 2.33 0.14 5.49 -4.23 -1.26 -0.14 115.64 115.86 1p43 s THR 774 Ca 0.50 -0.51 -0.25 0.00 -1.18 0.00 0.00 61.69 60.26 1p43 s THR 774 Cb -0.10 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.91 1p43 s THR 774 CO 0.25 0.00 1.62 1.23 -0.54 0.00 0.00 174.62 177.18 1p43 h GLY 775 N -0.43 -0.34 0.85 3.99 0.00 -1.98 -0.02 103.07 105.14 1p43 h GLY 775 Ca -0.40 0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1p43 h GLY 775 CO 0.48 -0.21 0.59 -2.55 0.00 0.00 0.00 176.54 174.85 1p43 h PRO 776 N -0.35 1.11 -0.48 4.80 0.11 -1.94 -1.21 132.00 134.04 1p43 h PRO 776 Ca 0.11 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 1p43 h PRO 776 Cb 0.51 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1p43 h PRO 776 CO -0.35 0.73 -0.02 1.96 -0.21 0.00 0.00 178.00 180.11 1p43 h GLN 777 N 1.14 0.86 -0.35 1.05 4.20 -1.81 -1.88 115.11 118.32 1p43 h GLN 777 Ca 0.37 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1p43 h GLN 777 Cb 0.03 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1p43 h GLN 777 CO -0.13 0.91 0.04 1.25 -0.67 0.00 0.00 178.83 180.23 1p43 h LEU 778 N 0.71 0.48 -0.68 1.46 5.85 -0.65 -1.99 115.31 120.49 1p43 h LEU 778 Ca 0.13 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1p43 h LEU 778 Cb 0.54 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1p43 h LEU 778 CO 0.03 0.53 0.28 0.00 -0.34 0.00 0.00 178.44 178.93 1p43 h ALA 779 N 1.54 0.88 -0.46 1.25 0.00 -0.76 -2.12 119.26 119.59 1p43 h ALA 779 Ca 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1p43 h ALA 779 Cb 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1p43 h ALA 779 CO 0.00 0.50 0.12 -0.44 0.00 0.00 0.00 179.25 179.44 1p43 h ASP 780 N 0.96 0.64 -0.50 0.00 3.32 -0.62 -0.72 116.42 119.49 1p43 h ASP 780 Ca 0.23 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1p43 h ASP 780 Cb 0.20 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1p43 h ASP 780 CO -0.02 0.63 0.21 0.25 -1.72 0.00 0.00 179.24 178.58 1p43 h LEU 781 N 0.68 0.68 -0.30 1.55 5.85 -0.96 -0.69 115.31 122.12 1p43 h LEU 781 Ca 0.15 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1p43 h LEU 781 Cb 0.24 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1p43 h LEU 781 CO -0.01 0.66 0.15 1.88 -0.34 0.00 0.00 178.44 180.78 1p43 h TYR 782 N 0.67 0.42 -0.91 1.25 0.05 -0.77 -1.72 116.97 115.95 1p43 h TYR 782 Ca 0.17 -0.02 0.10 0.00 0.05 0.00 0.00 58.73 59.03 1p43 h TYR 782 Cb 0.18 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 37.72 1p43 h TYR 782 CO 0.00 0.36 0.59 0.45 -1.05 0.00 0.00 178.16 178.51 1p43 h HIS 783 N 0.35 0.99 -0.25 4.88 3.86 -0.84 0.21 115.15 124.35 1p43 h HIS 783 Ca 0.10 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1p43 h HIS 783 Cb 0.09 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1p43 h HIS 783 CO -0.02 0.45 0.11 1.03 0.86 0.00 0.00 177.93 180.36 1p43 h SER 784 N 0.91 0.34 -0.66 2.45 0.87 -0.57 -1.76 113.55 115.14 1p43 h SER 784 Ca 0.43 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.77 1p43 h SER 784 Cb 0.42 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1p43 h SER 784 CO -0.19 0.39 0.11 -0.07 -0.53 0.00 0.00 176.83 176.54 1p43 h LEU 785 N 0.27 1.05 -0.94 2.23 3.38 -0.36 -2.62 115.31 118.32 1p43 h LEU 785 Ca 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1p43 h LEU 785 Cb 0.14 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1p43 h LEU 785 CO -0.01 1.04 0.35 0.24 0.09 0.00 0.00 178.44 180.15 1p43 h MET 786 N 1.01 1.12 -0.05 1.13 2.86 -0.45 0.66 114.93 121.21 1p43 h MET 786 Ca 0.20 -0.17 -0.18 0.00 -2.06 0.00 0.00 59.70 57.49 1p43 h MET 786 Cb 0.44 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1p43 h MET 786 CO 0.01 0.87 -0.75 1.57 1.06 0.00 0.00 176.91 179.67 1p43 h LYS 787 N 1.10 0.29 0.03 1.72 2.10 -1.24 -3.31 116.57 117.28 1p43 h LYS 787 Ca 0.26 -0.25 -0.23 0.00 -2.00 0.00 0.00 60.65 58.43 1p43 h LYS 787 Cb 0.14 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.50 1p43 h LYS 787 CO -0.03 0.92 -1.12 -0.09 -2.00 0.00 0.00 179.45 177.13 1p43 h ARG 788 N 0.19 0.07 -6.37 0.07 2.43 -1.20 -3.47 114.38 106.10 1p43 h ARG 788 Ca -0.03 -0.12 -0.62 0.00 -0.81 0.00 0.00 59.98 58.40 1p43 h ARG 788 Cb 1.33 0.05 -0.17 0.00 -0.42 0.00 0.00 29.97 30.75 1p43 h ARG 788 CO 0.12 1.03 -0.80 0.71 -1.51 0.00 0.00 179.97 179.52 1p43 s TYR 789 N -2.69 2.22 -0.81 2.20 2.02 0.20 -5.03 117.35 115.46 1p43 s TYR 789 Ca -0.01 -0.37 -0.07 0.00 -0.37 0.00 0.00 57.07 56.25 1p43 s TYR 789 Cb 0.09 -1.05 -0.14 0.00 -0.40 0.00 0.00 41.96 40.46 1p43 s TYR 789 CO 0.84 0.54 2.88 -0.35 -1.57 0.00 0.00 175.55 177.89 1p43 n PRO 790 N -0.01 2.56 -2.89 -1.71 -0.04 -1.26 -4.64 135.00 127.01 1p43 n PRO 790 Ca -0.10 -1.50 -0.41 0.00 -0.04 0.00 0.00 63.50 61.45 1p43 n PRO 790 Cb 0.57 -2.37 -0.04 0.00 -0.04 0.00 0.00 33.50 31.63 1p43 n PRO 790 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1p43 s ILE 791 N 2.05 4.91 -0.47 0.52 1.01 -1.26 -0.76 121.20 127.20 1p43 s ILE 791 Ca 0.59 1.67 0.04 0.00 0.00 0.00 0.00 60.65 62.95 1p43 s ILE 791 Cb 0.20 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.56 1p43 s ILE 791 CO -0.03 0.09 0.64 1.33 0.00 0.00 0.00 174.94 176.97 1p43 n VAL 792 N 4.43 0.05 -3.67 2.92 0.24 0.63 -4.90 118.33 118.04 1p43 n VAL 792 Ca 0.04 -0.53 -0.12 0.00 -2.04 0.00 0.00 64.34 61.69 1p43 n VAL 792 Cb 0.50 1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 33.83 1p43 n VAL 792 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1p43 s SER 793 N -0.35 -0.68 -0.07 -1.34 0.15 -1.20 -2.90 113.70 107.31 1p43 s SER 793 Ca 0.05 1.24 -0.01 0.00 0.70 0.00 0.00 55.95 57.92 1p43 s SER 793 Cb 0.03 1.21 0.03 0.00 -1.71 0.00 0.00 66.02 65.58 1p43 s SER 793 CO 0.05 -0.21 0.00 -0.63 1.20 0.00 0.00 173.24 173.65 1p43 s ILE 794 N 0.68 0.35 -0.11 6.45 1.01 -0.37 -0.67 121.20 128.54 1p43 s ILE 794 Ca -0.03 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 1p43 s ILE 794 Cb -0.05 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1p43 s ILE 794 CO -0.04 0.25 0.06 -0.70 0.00 0.00 0.00 174.94 174.50 1p43 s GLU 795 N 1.90 3.25 -1.42 2.79 2.12 0.74 -0.32 118.70 127.75 1p43 s GLU 795 Ca 0.04 -0.30 -0.05 0.00 0.36 0.00 0.00 54.97 55.02 1p43 s GLU 795 Cb -0.12 -2.98 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1p43 s GLU 795 CO -0.05 0.69 0.32 -0.25 -0.54 0.00 0.00 175.26 175.43 1p43 n ASP 796 N 2.23 -0.56 0.27 -1.70 8.00 0.06 -1.42 116.55 123.43 1p43 n ASP 796 Ca -0.19 -1.13 0.12 0.00 0.71 0.00 0.00 54.79 54.30 1p43 n ASP 796 Cb 0.54 -2.44 0.75 0.00 -0.02 0.00 0.00 41.12 39.95 1p43 n ASP 796 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1p43 h PRO 797 N -1.90 0.00 -5.09 -0.24 0.13 -1.83 -2.76 132.00 120.31 1p43 h PRO 797 Ca -0.65 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.10 1p43 h PRO 797 Cb 1.39 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.37 1p43 h PRO 797 CO 0.63 0.06 -0.66 -0.06 -0.23 0.00 0.00 178.00 177.75 1p43 s PHE 798 N -4.61 1.58 0.72 1.56 0.08 -1.26 -4.70 117.98 111.35 1p43 s PHE 798 Ca -0.04 -0.92 -0.16 0.00 0.12 0.00 0.00 56.93 55.92 1p43 s PHE 798 Cb 0.15 -0.92 -0.01 0.00 -0.57 0.00 0.00 43.02 41.67 1p43 s PHE 798 CO 0.60 -0.04 0.77 0.00 -0.10 0.00 0.00 175.22 176.46 1p43 n ALA 799 N -0.43 -0.83 0.01 5.36 0.00 -1.26 -4.60 120.51 118.76 1p43 n ALA 799 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1p43 n ALA 799 Cb 0.64 -2.00 0.03 0.00 0.00 0.00 0.00 19.45 18.12 1p43 n ALA 799 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1p43 n GLU 800 N -1.39 0.01 -0.08 0.00 0.28 -1.26 -1.74 120.64 116.45 1p43 n GLU 800 Ca 0.12 0.44 0.00 0.00 -0.16 0.00 0.00 57.16 57.56 1p43 n GLU 800 Cb 0.50 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.78 1p43 n GLU 800 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1p43 n ASP 801 N -1.47 0.00 -2.90 -1.84 8.00 -1.26 -4.33 116.55 112.74 1p43 n ASP 801 Ca -0.00 -1.16 -0.31 0.00 0.71 0.00 0.00 54.79 54.03 1p43 n ASP 801 Cb 0.07 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1p43 n ASP 801 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1p43 n ASP 802 N 0.00 7.20 -0.29 -2.24 4.64 -0.71 -4.81 116.55 120.33 1p43 n ASP 802 Ca 0.00 -3.00 -0.07 0.00 -1.38 0.00 0.00 54.79 50.34 1p43 n ASP 802 Cb 0.53 -1.35 -0.02 0.00 -1.04 0.00 0.00 41.12 39.24 1p43 n ASP 802 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 1p43 h TRP 803 N 3.86 -1.32 -0.90 -0.67 4.06 -1.91 -1.76 115.95 117.31 1p43 h TRP 803 Ca 0.55 0.10 0.12 0.00 2.06 0.00 0.00 58.89 61.71 1p43 h TRP 803 Cb 0.62 0.68 -0.07 0.00 -1.00 0.00 0.00 29.16 29.39 1p43 h TRP 803 CO 1.62 -0.41 0.58 1.49 -3.56 0.00 0.00 178.44 178.16 1p43 h GLU 804 N -0.12 0.79 -0.73 0.49 4.57 -1.97 0.17 114.58 117.78 1p43 h GLU 804 Ca 0.23 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1p43 h GLU 804 Cb 0.55 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1p43 h GLU 804 CO -0.82 0.52 0.38 0.00 -1.18 0.00 0.00 179.01 177.91 1p43 h ALA 805 N 1.57 1.28 0.30 2.92 0.00 -1.73 -0.40 119.26 123.20 1p43 h ALA 805 Ca 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1p43 h ALA 805 Cb 0.54 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1p43 h ALA 805 CO -0.20 0.57 -0.14 -1.49 0.00 0.00 0.00 179.25 177.99 1p43 h TRP 806 N 1.03 -0.37 -0.51 0.00 4.06 -0.89 -2.36 115.95 116.91 1p43 h TRP 806 Ca 0.26 -0.01 0.09 0.00 2.06 0.00 0.00 58.89 61.29 1p43 h TRP 806 Cb 0.07 0.12 -0.07 0.00 -1.00 0.00 0.00 29.16 28.28 1p43 h TRP 806 CO 0.01 -0.05 0.10 0.77 -3.56 0.00 0.00 178.44 175.71 1p43 h SER 807 N -0.71 0.00 0.25 -3.49 0.02 -1.03 0.14 113.55 108.74 1p43 h SER 807 Ca -0.04 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1p43 h SER 807 Cb 0.48 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1p43 h SER 807 CO 0.07 0.03 -0.24 -0.74 -1.14 0.00 0.00 176.83 174.80 1p43 h HIS 808 N 0.24 -0.64 -0.59 3.45 -0.00 -1.09 -2.74 115.15 113.78 1p43 h HIS 808 Ca 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1p43 h HIS 808 Cb 0.35 0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.98 1p43 h HIS 808 CO -0.23 -0.36 0.35 0.35 -0.00 0.00 0.00 177.93 178.04 1p43 h PHE 809 N -0.52 0.78 -0.21 5.26 3.57 -1.02 -2.79 116.94 122.02 1p43 h PHE 809 Ca -0.01 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1p43 h PHE 809 Cb 0.48 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1p43 h PHE 809 CO -0.16 0.54 0.16 0.35 -2.23 0.00 0.00 178.31 176.97 1p43 h PHE 810 N 0.79 0.00 -0.80 0.41 3.57 -0.56 -1.45 116.94 118.90 1p43 h PHE 810 Ca 0.21 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.88 1p43 h PHE 810 Cb -0.01 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1p43 h PHE 810 CO -0.02 0.00 0.53 0.87 -2.23 0.00 0.00 178.31 177.46 1p43 h LYS 811 N 0.00 0.37 0.00 1.11 1.57 -1.19 -2.93 116.57 115.50 1p43 h LYS 811 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1p43 h LYS 811 Cb 0.42 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1p43 h LYS 811 CO -0.00 0.25 -0.15 0.25 -0.57 0.00 0.00 179.45 179.23 1p43 n THR 812 N -4.48 0.88 0.15 -0.16 -2.24 -0.82 -4.86 114.28 102.76 1p43 n THR 812 Ca 0.16 -1.03 -0.15 0.00 -2.27 0.00 0.00 64.05 60.76 1p43 n THR 812 Cb 0.60 0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 69.05 1p43 n THR 812 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p43 h ALA 813 N 0.00 -0.78 0.00 6.98 0.00 -1.09 -3.46 119.26 120.91 1p43 h ALA 813 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1p43 h ALA 813 Cb 1.03 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1p43 h ALA 813 CO 0.00 -1.00 0.00 0.41 0.00 0.00 0.00 179.25 178.66 1p43 n GLY 814 N -1.47 2.13 3.40 0.00 0.00 -1.26 -4.97 105.19 103.02 1p43 n GLY 814 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1p43 n GLY 814 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p43 s ILE 815 N -3.26 0.34 0.13 -0.61 -4.36 -1.26 -5.12 121.20 107.06 1p43 s ILE 815 Ca 0.00 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.08 1p43 s ILE 815 Cb 0.00 -2.42 -0.08 0.00 1.25 0.00 0.00 42.46 41.20 1p43 s ILE 815 CO 0.00 0.00 1.39 -1.58 0.24 0.00 0.00 174.94 174.99 1p43 s GLN 816 N -3.65 4.32 -0.22 0.37 0.74 -1.14 -4.95 119.66 115.13 1p43 s GLN 816 Ca 0.32 2.10 0.00 0.00 0.05 0.00 0.00 55.36 57.83 1p43 s GLN 816 Cb 0.03 -3.23 0.03 0.00 1.10 0.00 0.00 33.01 30.94 1p43 s GLN 816 CO 0.19 -0.42 -0.12 0.42 -0.55 0.00 0.00 175.29 174.81 1p43 s ILE 817 N 0.95 2.43 -0.17 -2.34 -1.09 -1.26 -1.23 121.20 118.49 1p43 s ILE 817 Ca 0.64 -1.12 -0.13 0.00 -2.23 0.00 0.00 60.65 57.81 1p43 s ILE 817 Cb -0.37 -2.20 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 1p43 s ILE 817 CO 0.32 0.28 0.26 -0.69 -1.23 0.00 0.00 174.94 173.88 1p43 s VAL 818 N 1.26 5.32 -0.16 2.92 1.01 0.56 -1.99 120.40 129.33 1p43 s VAL 818 Ca -0.00 0.49 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 1p43 s VAL 818 Cb -0.16 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1p43 s VAL 818 CO -0.08 0.40 0.30 0.00 0.00 0.00 0.00 175.10 175.72 1p43 s ALA 819 N 0.47 3.59 0.00 5.51 0.00 0.45 -0.76 121.76 131.01 1p43 s ALA 819 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1p43 s ALA 819 Cb -0.13 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1p43 s ALA 819 CO 0.03 0.09 0.00 -3.47 0.00 0.00 0.00 175.76 172.41 1p43 n ASP 820 N 3.56 0.00 0.24 0.00 2.03 -1.26 -0.85 116.55 120.26 1p43 n ASP 820 Ca -0.12 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.30 1p43 n ASP 820 Cb 0.52 0.00 0.58 0.00 -0.72 0.00 0.00 41.12 41.50 1p43 n ASP 820 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1p43 h ASP 821 N 0.00 0.00 -0.58 1.67 3.32 -1.95 0.23 116.42 119.10 1p43 h ASP 821 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1p43 h ASP 821 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1p43 h ASP 821 CO 0.00 0.19 0.28 0.25 -1.72 0.00 0.00 179.24 178.24 1p43 h LEU 822 N 0.00 0.77 0.00 1.55 5.85 -1.88 -3.33 115.31 118.27 1p43 h LEU 822 Ca -0.00 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1p43 h LEU 822 Cb 0.55 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1p43 h LEU 822 CO 0.02 0.69 -1.79 0.35 -0.34 0.00 0.00 178.44 177.38 1p43 n THR 823 N -4.53 0.15 -4.15 1.05 -2.24 -1.09 -4.90 114.28 98.58 1p43 n THR 823 Ca 0.03 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.09 1p43 n THR 823 Cb 0.13 0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.30 1p43 n THR 823 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1p43 n VAL 824 N -2.14 -0.56 -3.96 2.28 0.24 0.79 -0.44 118.33 114.55 1p43 n VAL 824 Ca -0.06 -0.28 -0.32 0.00 -2.04 0.00 0.00 64.34 61.64 1p43 n VAL 824 Cb 0.51 -0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 32.12 1p43 n VAL 824 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1p43 n THR 825 N -3.99 -0.60 -3.91 3.34 -1.04 -1.26 -4.20 114.28 102.62 1p43 n THR 825 Ca -0.14 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.51 1p43 n THR 825 Cb 0.54 -1.19 -0.14 0.00 -1.82 0.00 0.00 70.33 67.72 1p43 n THR 825 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1p43 s ASN 826 N -3.02 4.72 0.38 8.00 3.84 0.42 -4.59 114.94 124.70 1p43 s ASN 826 Ca 0.63 -1.07 0.20 0.00 0.21 0.00 0.00 52.86 52.83 1p43 s ASN 826 Cb -0.35 -1.72 1.20 0.00 -0.55 0.00 0.00 41.25 39.84 1p43 s ASN 826 CO 0.77 -0.21 1.67 -0.65 -2.79 0.00 0.00 177.10 175.89 1p43 h PRO 827 N 8.03 0.25 -0.48 0.43 0.11 -1.86 0.12 132.00 138.60 1p43 h PRO 827 Ca -0.26 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 1p43 h PRO 827 Cb 1.08 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1p43 h PRO 827 CO 0.56 0.17 -0.16 0.87 -0.21 0.00 0.00 178.00 179.22 1p43 h LYS 828 N 0.26 0.94 0.00 1.05 1.57 -1.94 -0.70 116.57 117.75 1p43 h LYS 828 Ca 0.73 -0.36 -0.18 0.00 -1.87 0.00 0.00 60.65 58.97 1p43 h LYS 828 Cb 1.93 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 34.17 1p43 h LYS 828 CO -0.49 1.03 -0.83 0.00 -0.57 0.00 0.00 179.45 178.59 1p43 h ARG 829 N 0.82 0.05 -0.37 3.15 3.08 -1.12 -2.91 114.38 117.07 1p43 h ARG 829 Ca 0.12 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 1p43 h ARG 829 Cb 0.71 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1p43 h ARG 829 CO 0.05 0.85 -0.23 0.82 -1.07 0.00 0.00 179.97 180.38 1p43 h ILE 830 N 0.03 1.27 -0.87 2.04 2.04 -0.88 -0.98 117.51 120.16 1p43 h ILE 830 Ca -0.02 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 1p43 h ILE 830 Cb 1.45 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 1p43 h ILE 830 CO 0.11 0.45 0.43 0.00 0.00 0.00 0.00 178.15 179.13 1p43 h ALA 831 N 1.09 1.12 -0.21 1.87 0.00 -1.02 -0.30 119.26 121.80 1p43 h ALA 831 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1p43 h ALA 831 Cb 0.74 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1p43 h ALA 831 CO 0.06 0.67 0.04 1.15 0.00 0.00 0.00 179.25 181.17 1p43 h THR 832 N 1.23 1.22 -0.86 0.00 2.02 -1.26 -1.68 112.91 113.59 1p43 h THR 832 Ca 0.30 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.81 1p43 h THR 832 Cb 0.10 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 1p43 h THR 832 CO -0.04 0.22 0.56 0.00 0.37 0.00 0.00 175.52 176.63 1p43 h ALA 833 N 0.85 1.49 -0.02 6.16 0.00 -0.81 -0.35 119.26 126.59 1p43 h ALA 833 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1p43 h ALA 833 Cb 0.30 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1p43 h ALA 833 CO 0.00 0.41 0.00 0.82 0.00 0.00 0.00 179.25 180.49 1p43 h ILE 834 N 1.04 1.18 -0.55 0.00 2.04 -0.83 -0.78 117.51 119.61 1p43 h ILE 834 Ca 0.35 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1p43 h ILE 834 Cb 0.08 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1p43 h ILE 834 CO -0.11 0.14 0.33 -0.08 0.00 0.00 0.00 178.15 178.43 1p43 h GLU 835 N -0.19 0.73 -0.01 2.37 4.81 -0.71 -1.44 114.58 120.15 1p43 h GLU 835 Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1p43 h GLU 835 Cb 0.22 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1p43 h GLU 835 CO -0.00 0.51 -0.08 1.63 -0.73 0.00 0.00 179.01 180.35 1p43 n LYS 836 N -4.43 1.10 -3.91 1.92 5.02 -0.19 -4.92 118.16 112.75 1p43 n LYS 836 Ca 0.05 -0.49 -0.26 0.00 -2.02 0.00 0.00 58.31 55.59 1p43 n LYS 836 Cb 0.07 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 1p43 n LYS 836 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1p43 n LYS 837 N -0.52 -3.08 0.07 1.97 5.02 -0.41 -4.51 118.16 116.70 1p43 n LYS 837 Ca 0.17 0.42 -0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1p43 n LYS 837 Cb 0.29 -4.48 -0.05 0.00 -0.02 0.00 0.00 35.03 30.77 1p43 n LYS 837 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p43 h ALA 838 N 0.85 0.64 -2.71 7.82 0.00 -1.54 -3.39 119.26 120.93 1p43 h ALA 838 Ca -0.64 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.53 1p43 h ALA 838 Cb 1.37 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1p43 h ALA 838 CO 0.60 0.89 0.26 0.00 0.00 0.00 0.00 179.25 181.00 1p43 n ALA 839 N -2.34 -1.53 -2.31 0.00 0.00 -1.26 -4.43 120.51 108.64 1p43 n ALA 839 Ca -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 53.44 52.43 1p43 n ALA 839 Cb 0.82 0.74 0.00 0.00 0.00 0.00 0.00 19.45 21.02 1p43 n ALA 839 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1p43 n ASP 840 N -1.38 0.50 -3.63 0.00 5.68 -0.84 -4.89 116.55 111.98 1p43 n ASP 840 Ca -0.06 -1.96 -0.11 0.00 -0.50 0.00 0.00 54.79 52.16 1p43 n ASP 840 Cb 0.47 -0.20 -0.07 0.00 -1.14 0.00 0.00 41.12 40.18 1p43 n ASP 840 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1p43 s ALA 841 N 0.00 -1.84 -0.18 2.12 0.00 -0.95 -0.58 121.76 120.33 1p43 s ALA 841 Ca 0.21 2.18 -0.08 0.00 0.00 0.00 0.00 51.96 54.27 1p43 s ALA 841 Cb 0.24 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1p43 s ALA 841 CO -0.10 -0.35 0.08 -1.17 0.00 0.00 0.00 175.76 174.21 1p43 s LEU 842 N 0.89 3.93 -0.30 0.00 2.96 -0.47 -0.41 118.68 125.27 1p43 s LEU 842 Ca -0.04 0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.81 1p43 s LEU 842 Cb -0.05 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 1p43 s LEU 842 CO -0.08 0.20 0.63 -0.22 -1.32 0.00 0.00 176.35 175.55 1p43 s LEU 843 N 0.24 4.13 -0.36 -0.68 2.96 -0.03 -0.56 118.68 124.38 1p43 s LEU 843 Ca 0.05 0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 54.27 1p43 s LEU 843 Cb -0.12 -2.81 -0.00 0.00 0.50 0.00 0.00 46.19 43.75 1p43 s LEU 843 CO -0.00 -0.46 0.37 -0.22 -1.32 0.00 0.00 176.35 174.72 1p43 s LEU 844 N 2.59 4.57 -0.28 -0.68 0.20 -0.31 -4.41 118.68 120.36 1p43 s LEU 844 Ca 0.25 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 54.72 1p43 s LEU 844 Cb -0.15 -2.33 0.08 0.00 -0.43 0.00 0.00 46.19 43.36 1p43 s LEU 844 CO 0.11 -0.39 -0.03 -0.54 -0.29 0.00 0.00 176.35 175.21 1p43 s LYS 845 N 2.01 1.70 0.41 1.98 1.02 -1.26 -0.67 119.74 124.93 1p43 s LYS 845 Ca 0.11 -1.40 0.16 0.00 0.02 0.00 0.00 55.97 54.86 1p43 s LYS 845 Cb -0.17 -2.84 1.03 0.00 -0.52 0.00 0.00 37.83 35.34 1p43 s LYS 845 CO 0.12 -0.73 1.87 -0.39 -0.92 0.00 0.00 175.35 175.30 1p43 h VAL 846 N 6.67 0.73 -0.00 3.17 -1.51 -1.93 -0.40 116.25 122.97 1p43 h VAL 846 Ca -0.13 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1p43 h VAL 846 Cb 1.04 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1p43 h VAL 846 CO 0.47 0.08 -0.01 -0.46 -1.23 0.00 0.00 177.57 176.42 1p43 n ASN 847 N -4.51 0.18 0.12 4.19 6.94 -1.26 -0.96 115.26 119.97 1p43 n ASN 847 Ca 0.18 -0.82 -0.01 0.00 -0.02 0.00 0.00 54.58 53.92 1p43 n ASN 847 Cb 0.63 -0.07 0.06 0.00 -2.36 0.00 0.00 39.78 38.04 1p43 n ASN 847 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1p43 h GLN 848 N 0.27 0.00 0.00 -3.83 4.20 -1.36 -3.36 115.11 111.03 1p43 h GLN 848 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1p43 h GLN 848 Cb 0.14 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1p43 h GLN 848 CO 0.00 0.66 -1.82 1.51 -0.67 0.00 0.00 178.83 178.51 1p43 n ILE 849 N -3.42 0.83 0.00 2.54 0.13 -1.14 -0.44 119.36 117.85 1p43 n ILE 849 Ca 0.00 -0.42 0.00 0.00 -1.10 0.00 0.00 62.75 61.23 1p43 n ILE 849 Cb 0.74 -0.84 0.00 0.00 -0.84 0.00 0.00 39.64 38.70 1p43 n ILE 849 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1p43 n GLY 850 N 2.51 2.63 3.09 4.50 0.00 -0.13 -4.76 105.19 113.03 1p43 n GLY 850 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1p43 n GLY 850 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p43 s THR 851 N -2.39 0.35 0.11 2.61 -4.23 -1.26 -2.59 115.64 108.25 1p43 s THR 851 Ca 0.00 -1.66 -0.15 0.00 -1.18 0.00 0.00 61.69 58.70 1p43 s THR 851 Cb 0.00 -1.31 -0.06 0.00 1.34 0.00 0.00 72.50 72.47 1p43 s THR 851 CO 0.00 -0.85 1.48 0.25 -0.54 0.00 0.00 174.62 174.96 1p43 h LEU 852 N 3.42 0.71 -0.49 4.79 5.85 -1.89 -2.49 115.31 125.20 1p43 h LEU 852 Ca -0.34 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.02 1p43 h LEU 852 Cb 1.16 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1p43 h LEU 852 CO 0.60 0.96 0.23 0.28 -0.34 0.00 0.00 178.44 180.16 1p43 h SER 853 N 0.46 0.30 -0.25 1.25 0.02 -1.96 0.17 113.55 113.54 1p43 h SER 853 Ca 0.07 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1p43 h SER 853 Cb 0.69 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1p43 h SER 853 CO 0.05 0.21 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.50 1p43 h GLU 854 N 0.44 0.66 -0.51 3.45 5.08 -1.97 -0.59 114.58 121.15 1p43 h GLU 854 Ca 0.22 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1p43 h GLU 854 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1p43 h GLU 854 CO -0.18 0.76 0.00 0.77 -1.00 0.00 0.00 179.01 179.36 1p43 h SER 855 N 0.60 0.88 -0.50 1.42 0.02 -0.87 -0.10 113.55 115.01 1p43 h SER 855 Ca 0.10 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 1p43 h SER 855 Cb 0.56 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1p43 h SER 855 CO 0.03 0.97 0.14 0.40 -1.14 0.00 0.00 176.83 177.24 1p43 h ILE 856 N 0.76 1.23 -0.75 3.27 2.04 -0.39 -1.49 117.51 122.18 1p43 h ILE 856 Ca 0.14 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1p43 h ILE 856 Cb 0.52 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1p43 h ILE 856 CO 0.03 0.29 0.45 0.50 0.00 0.00 0.00 178.15 179.42 1p43 h LYS 857 N 0.67 1.03 -0.58 2.37 1.63 -0.86 0.06 116.57 120.89 1p43 h LYS 857 Ca 0.16 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1p43 h LYS 857 Cb 0.29 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 1p43 h LYS 857 CO -0.00 0.73 0.37 0.00 -3.45 0.00 0.00 179.45 177.10 1p43 h ALA 858 N 1.24 0.74 -0.32 5.00 0.00 -0.63 0.05 119.26 125.34 1p43 h ALA 858 Ca 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1p43 h ALA 858 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1p43 h ALA 858 CO -0.05 0.14 0.14 0.00 0.00 0.00 0.00 179.25 179.47 1p43 h ALA 859 N 1.23 0.41 -0.55 0.00 0.00 -0.64 -1.72 119.26 117.98 1p43 h ALA 859 Ca 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1p43 h ALA 859 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1p43 h ALA 859 CO -0.07 -0.01 0.34 1.96 0.00 0.00 0.00 179.25 181.48 1p43 h GLN 860 N 0.37 0.74 -0.84 0.00 4.20 -0.56 -0.15 115.11 118.87 1p43 h GLN 860 Ca 0.11 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1p43 h GLN 860 Cb 0.15 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1p43 h GLN 860 CO -0.01 0.52 0.40 -0.44 -0.67 0.00 0.00 178.83 178.63 1p43 h ASP 861 N 0.75 1.11 0.58 1.46 3.32 -0.93 -0.32 116.42 122.39 1p43 h ASP 861 Ca 0.20 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1p43 h ASP 861 Cb -0.04 -0.29 0.01 0.00 0.22 0.00 0.00 39.33 39.23 1p43 h ASP 861 CO -0.04 0.94 -0.28 0.28 -1.72 0.00 0.00 179.24 178.43 1p43 h SER 862 N 1.21 -0.66 -0.94 6.45 0.02 -0.73 -2.43 113.55 116.47 1p43 h SER 862 Ca 0.29 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.34 1p43 h SER 862 Cb 0.13 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 1p43 h SER 862 CO -0.03 -0.46 0.61 -0.26 -1.14 0.00 0.00 176.83 175.54 1p43 h PHE 863 N -0.79 1.07 0.00 3.45 0.04 -0.86 0.02 116.94 119.87 1p43 h PHE 863 Ca -0.08 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1p43 h PHE 863 Cb 0.60 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 1p43 h PHE 863 CO -0.03 0.52 -0.15 0.00 -0.60 0.00 0.00 178.31 178.04 1p43 h ALA 864 N 1.52 1.35 -0.23 2.45 0.00 -0.85 -0.83 119.26 122.67 1p43 h ALA 864 Ca 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1p43 h ALA 864 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1p43 h ALA 864 CO -0.18 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1p43 n ALA 865 N -2.33 2.49 -0.95 0.00 0.00 -0.34 -4.90 120.51 114.48 1p43 n ALA 865 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1p43 n ALA 865 Cb 0.25 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1p43 n ALA 865 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p43 n GLY 866 N 1.22 0.50 3.87 0.00 0.00 -0.32 -5.03 105.19 105.44 1p43 n GLY 866 Ca 0.17 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1p43 n GLY 866 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1p43 s TRP 867 N -2.00 3.53 0.44 1.61 0.52 -0.15 -4.98 118.94 117.91 1p43 s TRP 867 Ca 0.00 1.24 0.08 0.00 0.02 0.00 0.00 56.10 57.43 1p43 s TRP 867 Cb 0.00 -2.81 0.02 0.00 -1.15 0.00 0.00 33.47 29.52 1p43 s TRP 867 CO 0.00 -0.84 0.61 0.20 0.02 0.00 0.00 176.95 176.94 1p43 s GLY 868 N -4.20 1.92 -0.07 0.98 0.00 0.26 -4.06 107.32 102.14 1p43 s GLY 868 Ca 0.56 -1.69 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 1p43 s GLY 868 CO 0.54 -1.48 0.04 0.14 0.00 0.00 0.00 173.10 172.34 1p43 s VAL 869 N -2.41 0.07 -0.42 1.40 1.01 -1.26 -1.37 120.40 117.42 1p43 s VAL 869 Ca 0.56 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 1p43 s VAL 869 Cb -0.10 -0.35 0.08 0.00 0.00 0.00 0.00 36.38 36.01 1p43 s VAL 869 CO 0.34 0.14 0.27 -0.32 0.00 0.00 0.00 175.10 175.53 1p43 s MET 870 N 2.09 2.63 0.40 2.72 0.00 0.28 -4.40 119.30 123.02 1p43 s MET 870 Ca 0.04 -1.46 -0.27 0.00 0.00 0.00 0.00 55.69 54.01 1p43 s MET 870 Cb -0.13 -3.81 -0.09 0.00 0.00 0.00 0.00 34.83 30.80 1p43 s MET 870 CO -0.05 -0.97 1.38 0.08 0.00 0.00 0.00 175.02 175.47 1p43 s VAL 871 N 1.44 2.36 0.04 10.11 1.01 -1.06 -1.16 120.40 133.14 1p43 s VAL 871 Ca 0.03 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1p43 s VAL 871 Cb -0.23 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1p43 s VAL 871 CO 0.02 0.06 -0.05 -0.55 0.00 0.00 0.00 175.10 174.59 1p43 s SER 872 N -0.51 0.52 0.80 3.32 0.15 0.15 -0.97 113.70 117.18 1p43 s SER 872 Ca 0.56 -0.61 -0.05 0.00 0.70 0.00 0.00 55.95 56.54 1p43 s SER 872 Cb -0.42 0.09 0.14 0.00 -1.71 0.00 0.00 66.02 64.13 1p43 s SER 872 CO 0.55 -0.32 0.93 0.00 1.20 0.00 0.00 173.24 175.59 1p43 n HIS 873 N 1.26 -3.40 -4.26 3.44 1.44 -0.64 -4.56 115.22 108.50 1p43 n HIS 873 Ca -0.22 -1.26 -0.24 0.00 -2.01 0.00 0.00 57.72 54.00 1p43 n HIS 873 Cb 0.56 -0.69 -0.08 0.00 0.12 0.00 0.00 29.99 29.90 1p43 n HIS 873 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1p43 s ARG 874 N -4.92 2.18 0.44 -1.40 1.81 -1.26 -4.99 118.95 110.82 1p43 s ARG 874 Ca 0.57 -1.66 0.13 0.00 -1.72 0.00 0.00 55.73 53.05 1p43 s ARG 874 Cb -0.03 -2.02 0.98 0.00 -0.45 0.00 0.00 34.95 33.43 1p43 s ARG 874 CO 0.39 0.15 1.99 0.66 -0.68 0.00 0.00 175.30 177.81 1p43 h SER 875 N 1.74 0.07 -3.29 0.23 4.64 -1.93 -3.32 113.55 111.70 1p43 h SER 875 Ca -0.43 -0.01 -0.74 0.00 -0.47 0.00 0.00 61.79 60.14 1p43 h SER 875 Cb 1.25 -0.02 -0.25 0.00 -0.31 0.00 0.00 62.40 63.07 1p43 h SER 875 CO 0.65 0.21 -0.35 -0.83 -0.87 0.00 0.00 176.83 175.65 1p43 s GLY 876 N -4.12 2.04 0.43 -0.77 0.00 0.63 -4.68 107.32 100.84 1p43 s GLY 876 Ca -0.05 -2.30 0.03 0.00 0.00 0.00 0.00 44.72 42.40 1p43 s GLY 876 CO 0.70 1.08 0.25 1.18 0.00 0.00 0.00 173.10 176.31 1p43 n GLU 877 N 5.09 0.88 -2.70 2.90 -0.58 -1.25 -0.66 120.64 124.33 1p43 n GLU 877 Ca -0.11 -2.79 -0.06 0.00 -0.42 0.00 0.00 57.16 53.77 1p43 n GLU 877 Cb 0.42 0.41 -0.02 0.00 -0.57 0.00 0.00 31.44 31.68 1p43 n GLU 877 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1p43 n THR 878 N -1.40 0.00 1.63 2.62 -2.24 -1.26 0.46 114.28 114.08 1p43 n THR 878 Ca -0.05 -0.79 0.11 0.00 -2.27 0.00 0.00 64.05 61.04 1p43 n THR 878 Cb 0.50 0.41 0.63 0.00 -2.10 0.00 0.00 70.33 69.78 1p43 n THR 878 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1p43 n GLU 879 N -0.22 0.81 -2.20 -0.78 0.00 -1.26 -4.55 120.64 112.44 1p43 n GLU 879 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.79 1p43 n GLU 879 Cb 0.21 -1.41 -0.01 0.00 0.00 0.00 0.00 31.44 30.23 1p43 n GLU 879 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1p43 s ASP 880 N -1.85 6.44 -0.09 -1.84 -1.08 -1.26 -4.95 116.67 112.03 1p43 s ASP 880 Ca 0.32 2.46 0.14 0.00 -0.52 0.00 0.00 52.55 54.95 1p43 s ASP 880 Cb 0.15 -2.62 0.21 0.00 -1.46 0.00 0.00 42.92 39.19 1p43 s ASP 880 CO 0.25 -0.75 1.10 0.35 0.52 0.00 0.00 175.17 176.64 1p43 n THR 881 N 0.09 1.43 -0.27 1.71 -2.24 -1.26 -4.73 114.28 109.01 1p43 n THR 881 Ca 0.04 -1.70 0.08 0.00 -2.27 0.00 0.00 64.05 60.20 1p43 n THR 881 Cb 0.45 -0.03 0.22 0.00 -2.10 0.00 0.00 70.33 68.88 1p43 n THR 881 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1p43 h PHE 882 N 0.00 0.43 0.00 4.78 3.04 -1.96 -1.38 116.94 121.85 1p43 h PHE 882 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1p43 h PHE 882 Cb 1.05 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.49 1p43 h PHE 882 CO 0.02 -0.05 0.00 -0.84 -2.02 0.00 0.00 178.31 175.42 1p43 h ILE 883 N 0.34 0.00 -0.06 1.41 3.07 -1.96 -0.56 117.51 119.75 1p43 h ILE 883 Ca 0.46 -0.19 -0.02 0.00 1.55 0.00 0.00 64.86 66.66 1p43 h ILE 883 Cb 0.80 1.09 -0.00 0.00 -0.27 0.00 0.00 36.82 38.44 1p43 h ILE 883 CO -0.50 0.00 -0.05 0.00 -1.05 0.00 0.00 178.15 176.55 1p43 h ALA 884 N 2.03 0.09 -0.25 0.16 0.00 -1.55 -0.99 119.26 118.75 1p43 h ALA 884 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1p43 h ALA 884 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1p43 h ALA 884 CO 0.00 -0.13 -0.30 -0.44 0.00 0.00 0.00 179.25 178.38 1p43 h ASP 885 N -0.27 0.52 -0.10 0.00 5.19 -1.50 -3.02 116.42 117.24 1p43 h ASP 885 Ca 0.01 -0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1p43 h ASP 885 Cb 0.52 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 1p43 h ASP 885 CO 0.01 0.79 0.05 0.25 -3.12 0.00 0.00 179.24 177.23 1p43 h LEU 886 N 0.44 0.13 -1.35 1.55 5.85 -1.00 0.18 115.31 121.11 1p43 h LEU 886 Ca 0.06 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1p43 h LEU 886 Cb 0.74 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1p43 h LEU 886 CO 0.06 0.19 0.11 1.62 -0.34 0.00 0.00 178.44 180.08 1p43 h VAL 887 N 0.06 1.17 -0.08 1.05 3.04 -1.14 0.22 116.25 120.56 1p43 h VAL 887 Ca 0.04 -0.57 -0.10 0.00 -1.01 0.00 0.00 66.70 65.06 1p43 h VAL 887 Cb 0.09 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1p43 h VAL 887 CO -0.01 0.21 -0.34 0.58 -1.01 0.00 0.00 177.57 177.00 1p43 h VAL 888 N 0.54 1.41 -0.82 1.51 2.07 -1.37 -2.26 116.25 117.32 1p43 h VAL 888 Ca 0.13 -1.72 0.07 0.00 0.82 0.00 0.00 66.70 66.00 1p43 h VAL 888 Cb 0.18 2.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1p43 h VAL 888 CO -0.01 0.50 0.54 1.23 0.02 0.00 0.00 177.57 179.85 1p43 h GLY 889 N -0.10 1.14 0.81 2.17 0.00 -0.15 -0.82 103.07 106.13 1p43 h GLY 889 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1p43 h GLY 889 CO 0.07 0.26 -0.10 1.04 0.00 0.00 0.00 176.54 177.81 1p43 n LEU 890 N -4.49 0.52 -2.54 3.11 4.77 0.02 -3.92 117.00 114.48 1p43 n LEU 890 Ca 0.12 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 1p43 n LEU 890 Cb 0.22 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1p43 n LEU 890 CO 0.33 0.09 -0.16 -1.14 -1.33 0.00 0.00 177.39 175.18 1p43 n ARG 891 N -0.88 -2.36 0.07 3.23 0.63 -0.31 -4.82 116.66 112.21 1p43 n ARG 891 Ca 0.15 0.68 -0.03 0.00 -0.92 0.00 0.00 57.85 57.74 1p43 n ARG 891 Cb 0.27 -5.32 0.21 0.00 0.45 0.00 0.00 32.46 28.07 1p43 n ARG 891 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1p43 h THR 892 N -0.15 1.30 0.00 5.15 1.35 -1.81 -0.79 112.91 117.96 1p43 h THR 892 Ca -0.36 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1p43 h THR 892 Cb 1.26 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1p43 h THR 892 CO 0.42 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 1p43 n GLY 893 N -0.19 0.76 3.56 5.82 0.00 -1.26 -2.59 105.19 111.29 1p43 n GLY 893 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1p43 n GLY 893 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1p43 s GLN 894 N -0.44 0.73 0.02 1.61 -2.07 -1.26 -1.03 119.66 117.23 1p43 s GLN 894 Ca 0.00 0.97 -0.02 0.00 -1.82 0.00 0.00 55.36 54.49 1p43 s GLN 894 Cb 0.00 0.30 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 1p43 s GLN 894 CO 0.00 -0.11 0.02 -1.50 -1.32 0.00 0.00 175.29 172.38 1p43 s ILE 895 N 0.68 0.11 -0.22 3.63 2.07 -0.83 -2.55 121.20 124.10 1p43 s ILE 895 Ca -0.03 -0.95 0.00 0.00 -1.41 0.00 0.00 60.65 58.27 1p43 s ILE 895 Cb -0.05 -0.45 0.06 0.00 0.13 0.00 0.00 42.46 42.15 1p43 s ILE 895 CO -0.04 -0.52 -0.05 -0.75 -1.91 0.00 0.00 174.94 171.67 1p43 s LYS 896 N -1.73 1.52 -0.00 3.50 2.20 -0.14 -0.52 119.74 124.57 1p43 s LYS 896 Ca -0.13 -0.84 0.09 0.00 -0.36 0.00 0.00 55.97 54.73 1p43 s LYS 896 Cb -0.07 -2.43 0.16 0.00 -1.51 0.00 0.00 37.83 33.97 1p43 s LYS 896 CO -0.01 -0.56 1.06 -2.37 -0.36 0.00 0.00 175.35 173.11 1p43 n THR 897 N 4.75 0.06 0.00 3.43 5.66 -1.26 -1.62 114.28 125.30 1p43 n THR 897 Ca -0.12 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 1p43 n THR 897 Cb 0.45 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.88 1p43 n THR 897 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1p43 n GLY 898 N 0.13 1.36 3.90 1.09 0.00 -1.26 -4.45 105.19 105.96 1p43 n GLY 898 Ca 0.03 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 1p43 n GLY 898 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p43 s ALA 899 N -1.48 2.70 0.00 4.61 0.00 -0.57 -3.45 121.76 123.57 1p43 s ALA 899 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 1p43 s ALA 899 Cb 0.00 -2.94 -0.12 0.00 0.00 0.00 0.00 23.12 20.05 1p43 s ALA 899 CO 0.00 -1.62 2.71 -0.35 0.00 0.00 0.00 175.76 176.50 1p43 n PRO 900 N -3.28 1.44 -3.77 0.00 -0.04 -1.26 -4.66 135.00 123.43 1p43 n PRO 900 Ca 0.08 -0.46 -0.13 0.00 -0.04 0.00 0.00 63.50 62.95 1p43 n PRO 900 Cb 0.61 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 1p43 n PRO 900 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p43 s ALA 901 N 0.52 -0.74 0.00 0.55 0.00 -1.26 -4.97 121.76 115.85 1p43 s ALA 901 Ca 0.31 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1p43 s ALA 901 Cb 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1p43 s ALA 901 CO 0.00 -0.17 0.00 0.54 0.00 0.00 0.00 175.76 176.13 1p43 n ARG 902 N 2.50 0.00 0.09 0.00 1.74 -1.26 -4.25 116.66 115.47 1p43 n ARG 902 Ca -0.15 0.35 0.08 0.00 -0.77 0.00 0.00 57.85 57.36 1p43 n ARG 902 Cb 0.57 0.00 0.38 0.00 -1.02 0.00 0.00 32.46 32.40 1p43 n ARG 902 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1p43 n SER 903 N -0.01 0.37 0.19 0.55 7.64 -1.26 -0.88 113.62 120.22 1p43 n SER 903 Ca 0.00 0.63 0.14 0.00 1.01 0.00 0.00 58.87 60.65 1p43 n SER 903 Cb 0.00 -0.70 0.55 0.00 -1.01 0.00 0.00 64.21 63.06 1p43 n SER 903 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1p43 h GLU 904 N 0.00 0.00 0.00 1.43 9.09 -1.90 0.12 114.58 123.32 1p43 h GLU 904 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.21 1p43 h GLU 904 Cb 0.14 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.21 1p43 h GLU 904 CO 0.00 0.00 -1.44 0.54 0.05 0.00 0.00 179.01 178.16 1p43 n ARG 905 N -2.58 0.54 -0.15 1.06 5.12 -0.06 -4.42 116.66 116.17 1p43 n ARG 905 Ca 0.02 0.37 0.10 0.00 -1.93 0.00 0.00 57.85 56.42 1p43 n ARG 905 Cb 0.28 -1.58 0.43 0.00 -1.16 0.00 0.00 32.46 30.43 1p43 n ARG 905 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1p43 h LEU 906 N -1.00 0.51 -0.61 0.55 -0.00 -1.39 -2.17 115.31 111.21 1p43 h LEU 906 Ca -0.30 0.01 0.12 0.00 -0.00 0.00 0.00 57.88 57.72 1p43 h LEU 906 Cb 1.16 -0.09 -0.11 0.00 -0.00 0.00 0.00 40.66 41.61 1p43 h LEU 906 CO -0.18 0.31 -0.13 0.00 -0.00 0.00 0.00 178.44 178.44 1p43 h ALA 907 N 1.65 0.44 -0.00 1.53 0.00 -0.97 0.94 119.26 122.84 1p43 h ALA 907 Ca 0.32 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 1p43 h ALA 907 Cb 0.50 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1p43 h ALA 907 CO -0.11 -0.42 0.00 0.87 0.00 0.00 0.00 179.25 179.59 1p43 h LYS 908 N 0.02 0.01 -0.73 0.00 6.56 -1.61 -1.15 116.57 119.66 1p43 h LYS 908 Ca 0.30 -0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.91 1p43 h LYS 908 Cb 0.46 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.08 1p43 h LYS 908 CO -0.61 0.23 0.47 -0.07 -2.06 0.00 0.00 179.45 177.41 1p43 h LEU 909 N -0.22 0.80 -0.82 2.94 3.38 -1.01 -0.57 115.31 119.81 1p43 h LEU 909 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1p43 h LEU 909 Cb 0.23 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1p43 h LEU 909 CO 0.00 0.56 0.37 0.78 0.09 0.00 0.00 178.44 180.24 1p43 h ASN 910 N 0.94 1.10 -0.63 -0.43 2.35 0.91 -1.78 115.58 118.05 1p43 h ASN 910 Ca 0.28 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1p43 h ASN 910 Cb -0.04 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.01 1p43 h ASN 910 CO -0.09 0.95 0.29 -0.61 -1.65 0.00 0.00 177.43 176.32 1p43 h GLN 911 N 1.18 0.95 -0.36 0.81 5.75 -0.32 -1.45 115.11 121.67 1p43 h GLN 911 Ca 0.28 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 1p43 h GLN 911 Cb 0.16 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1p43 h GLN 911 CO -0.03 0.75 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.79 1p43 h LEU 912 N 0.94 0.55 -0.66 -2.39 3.38 -0.40 -0.91 115.31 115.83 1p43 h LEU 912 Ca 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1p43 h LEU 912 Cb 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1p43 h LEU 912 CO -0.03 0.65 0.31 -0.07 0.09 0.00 0.00 178.44 179.40 1p43 h LEU 913 N 0.55 0.86 -0.82 1.67 3.38 -0.48 -0.56 115.31 119.92 1p43 h LEU 913 Ca 0.11 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1p43 h LEU 913 Cb 0.41 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1p43 h LEU 913 CO 0.02 0.75 0.11 0.03 0.09 0.00 0.00 178.44 179.44 1p43 h ARG 914 N 0.91 1.00 -0.26 1.13 3.08 -0.72 -1.32 114.38 118.21 1p43 h ARG 914 Ca 0.23 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1p43 h ARG 914 Cb 0.12 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1p43 h ARG 914 CO -0.03 0.91 -0.12 0.82 -1.07 0.00 0.00 179.97 180.49 1p43 h ILE 915 N 0.94 1.30 -0.32 2.04 2.04 -0.85 -1.41 117.51 121.25 1p43 h ILE 915 Ca 0.19 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1p43 h ILE 915 Cb 0.39 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1p43 h ILE 915 CO 0.01 0.38 0.19 -0.08 0.00 0.00 0.00 178.15 178.65 1p43 h GLU 916 N 0.27 0.39 -0.51 2.37 4.81 -0.96 -0.93 114.58 120.01 1p43 h GLU 916 Ca 0.06 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1p43 h GLU 916 Cb 0.63 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1p43 h GLU 916 CO 0.04 0.26 0.29 1.49 -0.73 0.00 0.00 179.01 180.35 1p43 h GLU 917 N 0.40 0.55 -0.39 1.92 4.81 -1.18 -1.09 114.58 119.59 1p43 h GLU 917 Ca 0.12 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1p43 h GLU 917 Cb -0.01 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1p43 h GLU 917 CO -0.05 0.36 0.00 1.49 -0.73 0.00 0.00 179.01 180.09 1p43 h GLU 918 N 0.57 0.62 0.00 1.92 4.81 -0.79 -3.10 114.58 118.61 1p43 h GLU 918 Ca 0.21 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 1p43 h GLU 918 Cb 0.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1p43 h GLU 918 CO -0.12 0.64 -0.93 -0.07 -0.73 0.00 0.00 179.01 177.80 1p43 h LEU 919 N 0.59 0.00 0.00 1.64 3.38 -0.88 -3.49 115.31 116.55 1p43 h LEU 919 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1p43 h LEU 919 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1p43 h LEU 919 CO 0.01 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1p43 n GLY 920 N 1.33 3.12 0.00 0.83 0.00 -0.44 -0.52 105.19 109.50 1p43 n GLY 920 Ca -0.02 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1p43 n GLY 920 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1p43 n ASP 921 N 3.11 0.00 -0.36 1.61 5.68 -1.26 -2.32 116.55 123.00 1p43 n ASP 921 Ca 0.00 -0.29 0.07 0.00 -0.50 0.00 0.00 54.79 54.07 1p43 n ASP 921 Cb 0.00 -0.09 0.29 0.00 -1.14 0.00 0.00 41.12 40.17 1p43 n ASP 921 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1p43 n ASN 922 N -1.09 1.08 -3.97 -1.12 5.03 0.32 -4.84 115.26 110.66 1p43 n ASN 922 Ca 0.10 -1.78 -0.09 0.00 0.87 0.00 0.00 54.58 53.68 1p43 n ASN 922 Cb 0.07 -0.10 -0.10 0.00 -1.02 0.00 0.00 39.78 38.63 1p43 n ASN 922 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1p43 s ALA 923 N -1.80 0.08 0.15 5.41 0.00 -0.98 -0.58 121.76 124.04 1p43 s ALA 923 Ca 0.23 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.65 1p43 s ALA 923 Cb 0.12 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1p43 s ALA 923 CO 0.18 -0.23 -0.15 0.14 0.00 0.00 0.00 175.76 175.69 1p43 s VAL 924 N -2.06 1.55 -0.11 0.00 -7.23 0.13 -4.90 120.40 107.77 1p43 s VAL 924 Ca -0.10 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.01 1p43 s VAL 924 Cb -0.05 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1p43 s VAL 924 CO -0.03 -0.42 0.50 0.12 -0.31 0.00 0.00 175.10 174.95 1p43 s PHE 925 N -2.28 3.52 0.27 2.82 5.36 -1.26 -0.04 117.98 126.37 1p43 s PHE 925 Ca 0.13 0.92 -0.03 0.00 -0.96 0.00 0.00 56.93 57.00 1p43 s PHE 925 Cb -0.04 -2.57 0.40 0.00 -0.34 0.00 0.00 43.02 40.47 1p43 s PHE 925 CO 0.05 0.17 1.91 0.00 -1.46 0.00 0.00 175.22 175.88 1p43 h ALA 926 N 6.68 1.39 -0.49 11.12 0.00 -1.55 -3.47 119.26 132.95 1p43 h ALA 926 Ca -0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1p43 h ALA 926 Cb 1.18 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1p43 h ALA 926 CO 0.75 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.91 1p43 n GLY 927 N -1.38 2.76 0.12 0.00 0.00 -1.26 -0.79 105.19 104.64 1p43 n GLY 927 Ca 0.14 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1p43 n GLY 927 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p43 n GLU 928 N 14.00 0.11 -0.62 1.61 4.71 -1.12 -1.55 120.64 137.78 1p43 n GLU 928 Ca 0.00 0.57 0.06 0.00 -0.01 0.00 0.00 57.16 57.78 1p43 n GLU 928 Cb 0.00 -1.84 0.31 0.00 -1.01 0.00 0.00 31.44 28.89 1p43 n GLU 928 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1p43 n ASN 929 N -2.08 4.39 -0.32 1.62 3.02 0.03 -4.58 115.26 117.34 1p43 n ASN 929 Ca -0.01 -2.58 0.15 0.00 -0.03 0.00 0.00 54.58 52.11 1p43 n ASN 929 Cb 0.06 -0.60 0.34 0.00 -0.61 0.00 0.00 39.78 38.97 1p43 n ASN 929 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1p43 h PHE 930 N 3.18 0.84 -0.80 3.10 -5.15 -1.33 -1.50 116.94 115.28 1p43 h PHE 930 Ca 0.00 0.04 0.06 0.00 -0.20 0.00 0.00 57.97 57.87 1p43 h PHE 930 Cb 1.49 -0.22 -0.06 0.00 0.22 0.00 0.00 35.95 37.37 1p43 h PHE 930 CO 0.77 0.03 0.49 1.25 -2.00 0.00 0.00 178.31 178.84 1p43 h HIS 931 N 0.51 0.90 -1.48 6.09 2.76 -1.85 -3.03 115.15 119.04 1p43 h HIS 931 Ca 0.59 0.03 -0.59 0.00 -2.20 0.00 0.00 60.37 58.20 1p43 h HIS 931 Cb 1.10 -0.29 -0.41 0.00 1.55 0.00 0.00 27.41 29.36 1p43 h HIS 931 CO -0.07 0.45 -0.66 0.72 -1.30 0.00 0.00 177.93 177.07 1p43 n HIS 932 N -4.66 3.36 -0.05 5.26 8.25 -0.62 -4.09 115.22 122.66 1p43 n HIS 932 Ca 0.11 -3.03 0.12 0.00 -0.26 0.00 0.00 57.72 54.67 1p43 n HIS 932 Cb 0.17 -0.14 0.52 0.00 1.12 0.00 0.00 29.99 31.66 1p43 n HIS 932 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1p43 h GLY 933 N 2.57 0.48 2.00 -1.41 0.00 -1.14 -1.03 103.07 104.54 1p43 h GLY 933 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1p43 h GLY 933 CO 0.87 0.09 0.00 1.29 0.00 0.00 0.00 176.54 178.79 1p43 h ASP 934 N 0.35 0.00 0.12 0.19 -0.00 -1.26 -2.46 116.42 113.36 1p43 h ASP 934 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.28 1p43 h ASP 934 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.85 1p43 h ASP 934 CO -0.06 0.00 -0.26 0.29 -0.00 0.00 0.00 179.24 179.20 1p43 n LYS 935 N -2.85 1.14 0.00 4.15 4.76 -0.39 -4.97 118.16 120.01 1p43 n LYS 935 Ca -0.01 -0.78 0.04 0.00 -2.87 0.00 0.00 58.31 54.69 1p43 n LYS 935 Cb 0.15 -1.48 0.24 0.00 -1.84 0.00 0.00 35.03 32.10 1p43 n LYS 935 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31