#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1m n ALA 505 N 0.00 0.00 -0.07 3.14 0.00 -1.26 -4.72 120.51 117.60 1i1m n ALA 505 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 53.44 52.94 1i1m n ALA 505 Cb 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.59 1i1m n ALA 505 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i1m h ASP 506 N 0.38 0.06 -2.88 0.00 3.45 -1.90 -3.42 116.42 112.10 1i1m h ASP 506 Ca -0.05 -0.84 -0.50 0.00 0.43 0.00 0.00 57.03 56.07 1i1m h ASP 506 Cb 0.22 -0.02 -0.14 0.00 -0.56 0.00 0.00 39.33 38.84 1i1m h ASP 506 CO 0.07 1.21 -0.68 -0.31 -1.57 0.00 0.00 179.24 177.97 1i1m s TYR 507 N -2.29 1.98 -0.04 4.55 1.51 -1.26 -0.68 117.35 121.11 1i1m s TYR 507 Ca -0.22 -0.69 -0.02 0.00 -1.01 0.00 0.00 57.07 55.14 1i1m s TYR 507 Cb 0.00 -1.12 0.03 0.00 -0.11 0.00 0.00 41.96 40.76 1i1m s TYR 507 CO 0.68 0.30 0.08 0.42 -1.11 0.00 0.00 175.55 175.91 1i1m s ILE 508 N -2.99 -0.04 -0.21 2.71 1.01 0.22 -4.69 121.20 117.20 1i1m s ILE 508 Ca 0.30 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.79 1i1m s ILE 508 Cb 0.04 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.37 1i1m s ILE 508 CO 0.12 0.06 1.12 0.86 0.00 0.00 0.00 174.94 177.10 1i1m s TRP 509 N 0.79 3.15 -0.25 3.97 -0.00 -0.73 -1.04 118.94 124.83 1i1m s TRP 509 Ca -0.06 1.29 -0.01 0.00 -0.00 0.00 0.00 56.10 57.32 1i1m s TRP 509 Cb -0.09 -3.38 0.07 0.00 -0.00 0.00 0.00 33.47 30.07 1i1m s TRP 509 CO -0.03 -0.93 0.03 0.12 -0.00 0.00 0.00 176.95 176.13 1i1m s PHE 510 N 3.35 1.81 -1.50 5.86 5.99 -0.51 -1.42 117.98 131.56 1i1m s PHE 510 Ca 0.48 -1.52 -0.12 0.00 0.00 0.00 0.00 56.93 55.77 1i1m s PHE 510 Cb -0.17 -1.51 0.07 0.00 0.00 0.00 0.00 43.02 41.41 1i1m s PHE 510 CO 0.10 -0.76 0.97 0.09 -0.00 0.00 0.00 175.22 175.62 1i1m n ASN 511 N 4.83 -5.12 0.00 6.13 3.02 -0.80 -2.72 115.26 120.60 1i1m n ASN 511 Ca -0.07 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1i1m n ASN 511 Cb 0.44 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 1i1m n ASN 511 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1m n GLY 512 N -1.71 2.58 3.13 7.41 0.00 -1.26 -5.06 105.19 110.27 1i1m n GLY 512 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1i1m n GLY 512 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i1m s GLU 513 N -0.81 0.95 -0.09 1.61 -1.05 -1.10 -5.11 118.70 113.10 1i1m s GLU 513 Ca 0.00 -0.68 -0.30 0.00 -0.15 0.00 0.00 54.97 53.84 1i1m s GLU 513 Cb 0.00 -0.94 -0.03 0.00 -0.44 0.00 0.00 34.13 32.72 1i1m s GLU 513 CO 0.00 0.24 1.27 -1.64 0.95 0.00 0.00 175.26 176.07 1i1m s MET 514 N -0.95 4.29 0.10 -4.83 -1.94 -1.26 -1.42 119.30 113.30 1i1m s MET 514 Ca 0.02 1.73 0.10 0.00 -1.71 0.00 0.00 55.69 55.83 1i1m s MET 514 Cb -0.07 -3.65 -0.04 0.00 2.01 0.00 0.00 34.83 33.08 1i1m s MET 514 CO 0.01 -0.58 -0.27 0.08 -0.01 0.00 0.00 175.02 174.26 1i1m s VAL 515 N 2.79 2.23 0.37 -6.03 1.01 -0.20 -4.93 120.40 115.64 1i1m s VAL 515 Ca 0.57 -1.65 -0.28 0.00 0.00 0.00 0.00 61.98 60.63 1i1m s VAL 515 Cb -0.25 -1.95 -0.10 0.00 0.00 0.00 0.00 36.38 34.08 1i1m s VAL 515 CO 0.20 0.17 1.35 -0.13 0.00 0.00 0.00 175.10 176.69 1i1m s ARG 516 N -1.81 4.15 0.21 2.72 0.52 -1.26 -0.61 118.95 122.86 1i1m s ARG 516 Ca 0.13 2.28 -0.18 0.00 -0.52 0.00 0.00 55.73 57.45 1i1m s ARG 516 Cb -0.10 -2.93 0.20 0.00 0.52 0.00 0.00 34.95 32.64 1i1m s ARG 516 CO 0.05 -0.39 1.57 2.35 0.02 0.00 0.00 175.30 178.90 1i1m h TRP 517 N 3.03 -0.95 -0.08 -0.53 2.91 -1.16 -0.28 115.95 118.88 1i1m h TRP 517 Ca -0.50 0.09 0.02 0.00 1.13 0.00 0.00 58.89 59.64 1i1m h TRP 517 Cb 1.24 0.54 -0.00 0.00 -0.51 0.00 0.00 29.16 30.42 1i1m h TRP 517 CO 0.54 -0.39 0.10 0.93 -1.03 0.00 0.00 178.44 178.59 1i1m h GLU 518 N -0.07 0.00 -0.01 2.65 3.07 -1.90 -2.02 114.58 116.30 1i1m h GLU 518 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1i1m h GLU 518 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1i1m h GLU 518 CO -0.84 0.00 -0.29 -0.25 -1.40 0.00 0.00 179.01 176.23 1i1m n ASP 519 N -3.73 1.35 -3.93 1.42 8.00 -0.13 -4.69 116.55 114.85 1i1m n ASP 519 Ca -0.01 -1.11 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 1i1m n ASP 519 Cb 0.20 0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 1i1m n ASP 519 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i1m n ALA 520 N -0.39 4.64 -2.62 2.24 0.00 -0.76 -4.91 120.51 118.70 1i1m n ALA 520 Ca 0.12 -3.75 -0.22 0.00 0.00 0.00 0.00 53.44 49.58 1i1m n ALA 520 Cb 0.38 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.21 1i1m n ALA 520 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1i1m s LYS 521 N 3.83 2.57 0.03 0.00 1.02 -1.26 -5.10 119.74 120.83 1i1m s LYS 521 Ca 0.51 -1.33 -0.07 0.00 0.02 0.00 0.00 55.97 55.09 1i1m s LYS 521 Cb 0.11 -2.34 -0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1i1m s LYS 521 CO -0.01 0.24 0.14 0.54 -0.92 0.00 0.00 175.35 175.33 1i1m s VAL 522 N -2.30 0.12 0.47 3.17 0.11 -1.26 -5.14 120.40 115.56 1i1m s VAL 522 Ca 0.36 -0.96 -0.24 0.00 -2.93 0.00 0.00 61.98 58.21 1i1m s VAL 522 Cb -0.06 -0.82 -0.07 0.00 -1.53 0.00 0.00 36.38 33.90 1i1m s VAL 522 CO 0.23 -0.53 1.36 -2.28 -3.33 0.00 0.00 175.10 170.55 1i1m s HIS 523 N -2.38 2.53 -0.65 1.54 2.46 -1.26 -4.90 115.29 112.63 1i1m s HIS 523 Ca -0.07 1.35 0.18 0.00 0.47 0.00 0.00 55.06 56.99 1i1m s HIS 523 Cb -0.02 -3.78 0.79 0.00 -0.13 0.00 0.00 32.58 29.43 1i1m s HIS 523 CO -0.03 -2.60 1.54 1.55 -2.47 0.00 0.00 174.74 172.73 1i1m n VAL 524 N -0.37 1.06 -0.91 0.89 3.14 -1.26 -1.74 118.33 119.14 1i1m n VAL 524 Ca 0.06 0.35 0.07 0.00 -2.96 0.00 0.00 64.34 61.86 1i1m n VAL 524 Cb 0.44 -1.25 0.41 0.00 -1.06 0.00 0.00 33.84 32.37 1i1m n VAL 524 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1i1m n MET 525 N -1.93 4.89 -2.03 1.45 2.81 -1.26 -4.91 117.12 116.13 1i1m n MET 525 Ca 0.02 -3.17 -0.42 0.00 -1.81 0.00 0.00 57.70 52.32 1i1m n MET 525 Cb 0.15 -2.27 -0.03 0.00 -0.71 0.00 0.00 33.22 30.37 1i1m n MET 525 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1i1m s SER 526 N -0.81 6.69 0.24 7.83 0.01 -0.71 -4.53 113.70 122.42 1i1m s SER 526 Ca 0.55 2.56 -0.10 0.00 1.31 0.00 0.00 55.95 60.27 1i1m s SER 526 Cb 0.42 -2.61 0.38 0.00 0.21 0.00 0.00 66.02 64.42 1i1m s SER 526 CO 0.16 -0.72 1.61 -0.74 0.41 0.00 0.00 173.24 173.96 1i1m h HIS 527 N 5.98 -0.30 -0.19 2.43 -0.00 -0.95 -1.55 115.15 120.57 1i1m h HIS 527 Ca -0.44 0.07 0.06 0.00 -0.00 0.00 0.00 60.37 60.05 1i1m h HIS 527 Cb 1.21 0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.87 1i1m h HIS 527 CO 0.63 -0.32 0.16 0.00 -0.00 0.00 0.00 177.93 178.41 1i1m h ALA 528 N 1.77 2.03 -0.07 5.26 0.00 -1.46 -0.44 119.26 126.35 1i1m h ALA 528 Ca 0.39 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 1i1m h ALA 528 Cb 0.64 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1i1m h ALA 528 CO -0.77 -0.26 -0.52 -0.07 0.00 0.00 0.00 179.25 177.63 1i1m h LEU 529 N 0.00 0.21 0.01 0.00 3.38 -1.58 -2.29 115.31 115.04 1i1m h LEU 529 Ca 0.09 -0.11 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 1i1m h LEU 529 Cb 0.41 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1i1m h LEU 529 CO -0.00 0.69 -2.08 1.41 0.09 0.00 0.00 178.44 178.55 1i1m n HIS 530 N -3.94 0.50 -0.68 1.13 8.25 -0.65 -4.68 115.22 115.15 1i1m n HIS 530 Ca -0.02 0.17 0.04 0.00 -0.26 0.00 0.00 57.72 57.66 1i1m n HIS 530 Cb 0.55 -1.09 0.06 0.00 1.12 0.00 0.00 29.99 30.63 1i1m n HIS 530 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1i1m n TYR 531 N -2.95 0.00 -1.54 4.41 4.02 -0.27 -5.00 117.16 115.84 1i1m n TYR 531 Ca -0.27 -0.65 -0.19 0.00 -0.01 0.00 0.00 57.90 56.79 1i1m n TYR 531 Cb 1.10 -0.09 -0.08 0.00 -0.02 0.00 0.00 39.34 40.25 1i1m n TYR 531 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i1m n GLY 532 N -0.84 1.77 3.44 2.72 0.00 -0.86 -4.89 105.19 106.53 1i1m n GLY 532 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1i1m n GLY 532 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i1m n THR 533 N -2.29 3.91 -3.60 2.61 -2.24 -1.25 -2.41 114.28 109.01 1i1m n THR 533 Ca -0.19 -4.02 -0.12 0.00 -2.27 0.00 0.00 64.05 57.46 1i1m n THR 533 Cb 0.64 -2.40 -0.05 0.00 -2.10 0.00 0.00 70.33 66.43 1i1m n THR 533 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i1m s SER 534 N 3.91 -0.32 0.02 3.42 1.04 -1.26 -2.27 113.70 118.23 1i1m s SER 534 Ca 0.52 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.84 1i1m s SER 534 Cb 0.05 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 1i1m s SER 534 CO 0.05 -0.81 -0.10 0.68 0.98 0.00 0.00 173.24 174.03 1i1m s VAL 535 N -3.33 0.80 0.29 5.02 -7.23 0.02 -0.78 120.40 115.19 1i1m s VAL 535 Ca -0.00 -0.75 -0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1i1m s VAL 535 Cb 0.01 -0.74 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 1i1m s VAL 535 CO -0.09 -0.00 0.33 0.72 -0.31 0.00 0.00 175.10 175.75 1i1m s PHE 536 N -0.69 1.16 0.11 2.82 -0.12 -0.79 -1.20 117.98 119.27 1i1m s PHE 536 Ca -0.00 -1.32 -0.00 0.00 -0.05 0.00 0.00 56.93 55.55 1i1m s PHE 536 Cb -0.06 -0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 1i1m s PHE 536 CO 0.00 -0.91 0.02 -1.21 -0.05 0.00 0.00 175.22 173.07 1i1m s GLU 537 N -3.61 0.87 -0.16 1.99 0.41 -0.79 -4.77 118.70 112.63 1i1m s GLU 537 Ca 0.34 -1.39 -0.01 0.00 -0.41 0.00 0.00 54.97 53.50 1i1m s GLU 537 Cb 0.02 0.14 0.04 0.00 -1.78 0.00 0.00 34.13 32.55 1i1m s GLU 537 CO 0.18 -0.19 -0.05 0.20 -0.49 0.00 0.00 175.26 174.91 1i1m s GLY 538 N -3.03 0.93 0.10 -1.39 0.00 -1.26 -3.81 107.32 98.86 1i1m s GLY 538 Ca 0.19 -0.79 0.07 0.00 0.00 0.00 0.00 44.72 44.19 1i1m s GLY 538 CO -0.01 0.94 -0.18 -0.42 0.00 0.00 0.00 173.10 173.43 1i1m s ILE 539 N 1.65 1.49 -0.02 0.90 1.01 -0.60 -4.84 121.20 120.79 1i1m s ILE 539 Ca 0.01 -1.49 0.06 0.00 0.00 0.00 0.00 60.65 59.23 1i1m s ILE 539 Cb -0.15 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 1i1m s ILE 539 CO -0.08 -0.15 -0.21 -0.13 0.00 0.00 0.00 174.94 174.37 1i1m s ARG 540 N -1.94 1.73 -0.19 2.79 0.52 -1.26 0.03 118.95 120.63 1i1m s ARG 540 Ca 0.04 -0.75 -0.04 0.00 -0.52 0.00 0.00 55.73 54.46 1i1m s ARG 540 Cb -0.09 -1.66 -0.02 0.00 0.52 0.00 0.00 34.95 33.70 1i1m s ARG 540 CO 0.04 0.45 -0.04 0.00 0.02 0.00 0.00 175.30 175.76 1i1m s TYR 542 N 1.05 2.71 -0.14 0.00 1.51 0.27 -1.58 117.35 121.17 1i1m s TYR 542 Ca 0.01 -0.16 -0.27 0.00 -1.01 0.00 0.00 57.07 55.64 1i1m s TYR 542 Cb -0.15 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 1i1m s TYR 542 CO 0.00 0.31 0.89 0.34 -1.11 0.00 0.00 175.55 175.99 1i1m s ASP 543 N -1.48 7.07 0.02 2.29 2.15 -1.22 -0.73 116.67 124.76 1i1m s ASP 543 Ca 0.16 1.31 0.00 0.00 0.43 0.00 0.00 52.55 54.46 1i1m s ASP 543 Cb -0.11 -2.49 -0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1i1m s ASP 543 CO 0.07 -0.40 0.01 -1.54 -0.17 0.00 0.00 175.17 173.14 1i1m n SER 544 N 5.04 1.10 0.18 -0.34 3.41 -0.85 -4.94 113.62 117.22 1i1m n SER 544 Ca 0.06 -1.09 0.14 0.00 -0.26 0.00 0.00 58.87 57.71 1i1m n SER 544 Cb 0.49 0.04 0.56 0.00 -0.26 0.00 0.00 64.21 65.04 1i1m n SER 544 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1i1m h HIS 545 N 1.03 0.00 -0.39 7.33 2.07 -1.78 -1.52 115.15 121.89 1i1m h HIS 545 Ca -0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1i1m h HIS 545 Cb 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 1i1m h HIS 545 CO 0.00 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.49 1i1m n LYS 546 N -2.50 3.04 0.00 5.12 5.02 -1.26 -5.09 118.16 122.49 1i1m n LYS 546 Ca 0.02 -2.46 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 1i1m n LYS 546 Cb 0.25 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1i1m n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i1m n GLY 547 N 0.35 -2.12 3.66 0.72 0.00 -0.57 -4.88 105.19 102.34 1i1m n GLY 547 Ca 0.17 -1.63 -0.46 0.00 0.00 0.00 0.00 46.02 44.11 1i1m n GLY 547 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1i1m n PRO 548 N -0.11 1.97 -3.80 1.61 -0.04 -1.26 -2.00 135.00 131.38 1i1m n PRO 548 Ca 0.00 0.71 -0.13 0.00 -0.04 0.00 0.00 63.50 64.04 1i1m n PRO 548 Cb 0.00 -2.40 -0.14 0.00 -0.04 0.00 0.00 33.50 30.92 1i1m n PRO 548 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1i1m s VAL 549 N 0.37 -0.02 -0.18 0.52 0.11 0.09 -2.75 120.40 118.54 1i1m s VAL 549 Ca 0.74 0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 59.67 1i1m s VAL 549 Cb -0.69 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1i1m s VAL 549 CO 0.45 0.03 0.58 -0.69 -3.33 0.00 0.00 175.10 172.14 1i1m s VAL 550 N 0.55 5.07 -0.11 2.04 1.01 0.08 -0.57 120.40 128.47 1i1m s VAL 550 Ca -0.04 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 1i1m s VAL 550 Cb -0.06 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1i1m s VAL 550 CO -0.02 0.17 1.16 0.12 0.00 0.00 0.00 175.10 176.52 1i1m s PHE 551 N 1.59 3.20 -1.38 5.22 5.36 -0.50 -1.94 117.98 129.54 1i1m s PHE 551 Ca 0.27 1.28 -0.14 0.00 -0.96 0.00 0.00 56.93 57.38 1i1m s PHE 551 Cb -0.16 -3.37 0.02 0.00 -0.34 0.00 0.00 43.02 39.16 1i1m s PHE 551 CO 0.11 -1.08 0.36 0.54 -1.46 0.00 0.00 175.22 173.69 1i1m n ARG 552 N 5.57 -1.10 0.34 10.12 1.74 0.11 -4.63 116.66 128.81 1i1m n ARG 552 Ca 0.11 0.16 -0.18 0.00 -0.77 0.00 0.00 57.85 57.17 1i1m n ARG 552 Cb 0.46 -3.41 -0.09 0.00 -1.02 0.00 0.00 32.46 28.40 1i1m n ARG 552 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1i1m h HIS 553 N -2.10 -1.22 -0.86 -1.55 2.76 -1.76 -2.84 115.15 107.57 1i1m h HIS 553 Ca -0.68 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 57.53 1i1m h HIS 553 Cb 1.40 0.46 -0.05 0.00 1.55 0.00 0.00 27.41 30.76 1i1m h HIS 553 CO 0.45 -0.65 0.55 -0.09 -1.30 0.00 0.00 177.93 176.90 1i1m h ARG 554 N -1.02 1.03 -0.82 5.26 2.43 -1.93 -2.42 114.38 116.91 1i1m h ARG 554 Ca -0.07 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1i1m h ARG 554 Cb 0.85 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1i1m h ARG 554 CO 0.02 0.68 0.54 0.93 -1.51 0.00 0.00 179.97 180.63 1i1m h GLU 555 N 1.06 0.95 -0.20 0.20 3.07 -1.93 0.17 114.58 117.91 1i1m h GLU 555 Ca 0.35 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 59.00 1i1m h GLU 555 Cb 0.04 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1i1m h GLU 555 CO -0.13 0.63 -0.46 0.45 -1.40 0.00 0.00 179.01 178.10 1i1m h HIS 556 N 0.98 0.86 -0.19 4.33 3.86 -1.21 -2.12 115.15 121.65 1i1m h HIS 556 Ca 0.33 -0.32 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 1i1m h HIS 556 Cb 0.09 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1i1m h HIS 556 CO -0.00 1.10 -0.24 0.52 0.86 0.00 0.00 177.93 180.17 1i1m h MET 557 N 0.37 0.34 -0.26 2.45 2.86 -0.96 -0.99 114.93 118.73 1i1m h MET 557 Ca -0.00 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 1i1m h MET 557 Cb 1.07 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1i1m h MET 557 CO 0.10 0.57 -0.33 0.37 1.06 0.00 0.00 176.91 178.67 1i1m h GLN 558 N 0.31 0.56 0.00 1.72 5.75 -0.63 -2.45 115.11 120.37 1i1m h GLN 558 Ca 0.05 -0.25 -0.10 0.00 -0.15 0.00 0.00 58.65 58.19 1i1m h GLN 558 Cb 0.59 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1i1m h GLN 558 CO 0.04 0.82 -0.50 -0.09 -2.65 0.00 0.00 178.83 176.45 1i1m h ARG 559 N 0.47 0.00 -0.46 1.69 2.43 -0.73 -1.52 114.38 116.27 1i1m h ARG 559 Ca 0.05 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1i1m h ARG 559 Cb 0.81 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1i1m h ARG 559 CO 0.07 0.50 -0.04 1.25 -1.51 0.00 0.00 179.97 180.23 1i1m h LEU 560 N 0.00 0.83 -0.75 3.80 6.46 -0.82 -0.30 115.31 124.53 1i1m h LEU 560 Ca -0.00 -0.33 -0.10 0.00 -0.12 0.00 0.00 57.88 57.32 1i1m h LEU 560 Cb 1.09 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1i1m h LEU 560 CO 0.06 0.96 -0.13 0.45 -0.62 0.00 0.00 178.44 179.16 1i1m h HIS 561 N 0.68 0.90 -0.55 1.25 3.86 -1.24 -2.45 115.15 117.61 1i1m h HIS 561 Ca 0.13 -0.18 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 1i1m h HIS 561 Cb 0.56 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 1i1m h HIS 561 CO 0.04 0.90 -0.04 -0.44 0.86 0.00 0.00 177.93 179.25 1i1m h ASP 562 N 0.73 0.99 -0.49 2.45 3.32 -0.95 -0.69 116.42 121.77 1i1m h ASP 562 Ca 0.12 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 1i1m h ASP 562 Cb 0.63 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1i1m h ASP 562 CO 0.04 1.07 0.01 0.28 -1.72 0.00 0.00 179.24 178.93 1i1m h SER 563 N 0.88 0.84 0.15 6.45 0.02 -0.97 -2.38 113.55 118.54 1i1m h SER 563 Ca 0.15 -0.30 -0.11 0.00 -0.84 0.00 0.00 61.79 60.69 1i1m h SER 563 Cb 0.59 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1i1m h SER 563 CO 0.04 0.94 -0.40 0.00 -1.14 0.00 0.00 176.83 176.27 1i1m h ALA 564 N 0.94 1.05 -0.70 3.77 0.00 -1.37 -3.05 119.26 119.90 1i1m h ALA 564 Ca 0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1i1m h ALA 564 Cb 0.50 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1i1m h ALA 564 CO 0.02 0.60 0.25 -0.22 0.00 0.00 0.00 179.25 179.90 1i1m h LYS 565 N 0.27 1.08 -0.81 0.00 3.64 -0.85 0.28 116.57 120.19 1i1m h LYS 565 Ca 0.03 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1i1m h LYS 565 Cb 0.82 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1i1m h LYS 565 CO 0.07 0.91 0.39 0.82 -2.27 0.00 0.00 179.45 179.36 1i1m h ILE 566 N 1.02 1.25 -0.01 2.00 2.04 -1.33 -2.19 117.51 120.30 1i1m h ILE 566 Ca 0.23 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1i1m h ILE 566 Cb 0.26 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1i1m h ILE 566 CO -0.01 0.30 -0.24 -1.22 0.00 0.00 0.00 178.15 176.98 1i1m n TYR 567 N -4.31 0.00 -2.50 1.37 4.02 -1.05 -4.95 117.16 109.73 1i1m n TYR 567 Ca 0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.83 1i1m n TYR 567 Cb 0.14 -0.13 0.01 0.00 -0.02 0.00 0.00 39.34 39.34 1i1m n TYR 567 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1i1m n ARG 568 N -0.69 -2.10 -2.77 -0.72 1.74 0.77 -5.00 116.66 107.90 1i1m n ARG 568 Ca 0.12 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 1i1m n ARG 568 Cb 0.34 -4.80 -0.03 0.00 -1.02 0.00 0.00 32.46 26.95 1i1m n ARG 568 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1i1m s PHE 569 N -2.80 3.53 0.07 -1.55 0.08 0.08 -5.00 117.98 112.39 1i1m s PHE 569 Ca 0.10 1.51 -0.31 0.00 0.12 0.00 0.00 56.93 58.35 1i1m s PHE 569 Cb -0.04 -3.10 -0.06 0.00 -0.57 0.00 0.00 43.02 39.24 1i1m s PHE 569 CO 0.12 -0.16 1.28 -1.25 -0.10 0.00 0.00 175.22 175.11 1i1m s PRO 570 N 1.73 4.38 -0.20 0.24 0.04 -1.26 -4.57 135.00 135.36 1i1m s PRO 570 Ca 0.46 1.88 -0.00 0.00 0.04 0.00 0.00 61.00 63.38 1i1m s PRO 570 Cb -0.18 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.04 1i1m s PRO 570 CO 0.19 -0.34 -0.14 0.08 0.04 0.00 0.00 177.00 176.82 1i1m s VAL 571 N 1.19 2.49 0.08 -0.36 1.01 -1.26 -3.72 120.40 119.83 1i1m s VAL 571 Ca 0.61 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 1i1m s VAL 571 Cb -0.32 -2.11 -0.19 0.00 0.00 0.00 0.00 36.38 33.77 1i1m s VAL 571 CO 0.29 0.46 1.25 0.28 0.00 0.00 0.00 175.10 177.38 1i1m h SER 572 N 7.99 0.87 -3.87 3.32 0.02 -1.95 -3.46 113.55 116.47 1i1m h SER 572 Ca -0.43 -0.67 -0.49 0.00 -0.84 0.00 0.00 61.79 59.36 1i1m h SER 572 Cb 1.14 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1i1m h SER 572 CO 0.62 1.41 0.40 -1.10 -1.14 0.00 0.00 176.83 177.02 1i1m s GLN 573 N -3.58 4.51 0.60 3.45 1.11 -1.26 -5.07 119.66 119.43 1i1m s GLN 573 Ca -0.11 1.54 -0.03 0.00 0.01 0.00 0.00 55.36 56.77 1i1m s GLN 573 Cb 0.07 -2.90 0.04 0.00 -1.01 0.00 0.00 33.01 29.21 1i1m s GLN 573 CO 0.89 0.17 0.87 -1.54 0.01 0.00 0.00 175.29 175.69 1i1m s SER 574 N -1.34 5.22 0.32 5.90 1.04 -1.26 -4.90 113.70 118.68 1i1m s SER 574 Ca 0.50 0.29 0.01 0.00 0.48 0.00 0.00 55.95 57.23 1i1m s SER 574 Cb -0.24 -1.15 0.54 0.00 0.10 0.00 0.00 66.02 65.27 1i1m s SER 574 CO 0.31 -1.25 1.96 0.40 0.98 0.00 0.00 173.24 175.64 1i1m h ILE 575 N -0.17 1.14 -0.35 -1.02 2.04 -1.97 -1.64 117.51 115.53 1i1m h ILE 575 Ca -0.44 -0.34 -0.14 0.00 1.00 0.00 0.00 64.86 64.94 1i1m h ILE 575 Cb 1.29 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1i1m h ILE 575 CO 0.57 0.18 -0.34 0.44 0.00 0.00 0.00 178.15 179.00 1i1m h ASP 576 N 1.00 0.83 -0.29 1.72 3.32 -1.99 -1.51 116.42 119.50 1i1m h ASP 576 Ca 0.31 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1i1m h ASP 576 Cb 0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1i1m h ASP 576 CO -0.09 1.09 0.14 -0.33 -1.72 0.00 0.00 179.24 178.34 1i1m h GLU 577 N 0.66 0.42 -0.49 3.56 5.08 -1.78 -1.12 114.58 120.91 1i1m h GLU 577 Ca 0.07 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1i1m h GLU 577 Cb 0.88 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1i1m h GLU 577 CO 0.08 0.40 0.14 -0.07 -1.00 0.00 0.00 179.01 178.56 1i1m h LEU 578 N 0.34 0.68 -0.38 1.33 3.38 -1.22 -0.76 115.31 118.68 1i1m h LEU 578 Ca 0.10 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1i1m h LEU 578 Cb 0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1i1m h LEU 578 CO -0.01 0.66 -0.43 0.24 0.09 0.00 0.00 178.44 178.98 1i1m h MET 579 N 0.72 0.91 -0.45 1.13 2.86 -1.00 -1.42 114.93 117.67 1i1m h MET 579 Ca 0.16 -0.51 -0.12 0.00 -2.06 0.00 0.00 59.70 57.17 1i1m h MET 579 Cb 0.24 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1i1m h MET 579 CO -0.01 1.15 -0.21 1.49 1.06 0.00 0.00 176.91 180.40 1i1m h GLU 580 N 0.73 0.92 -0.62 1.72 4.57 -0.92 -2.15 114.58 118.83 1i1m h GLU 580 Ca 0.05 -0.38 -0.07 0.00 -1.18 0.00 0.00 59.36 57.78 1i1m h GLU 580 Cb 1.03 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 1i1m h GLU 580 CO 0.10 1.03 0.11 0.00 -1.18 0.00 0.00 179.01 179.08 1i1m h ALA 581 N 0.96 1.03 -0.01 2.92 0.00 -1.05 -1.06 119.26 122.04 1i1m h ALA 581 Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1i1m h ALA 581 Cb 0.76 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1i1m h ALA 581 CO 0.06 0.62 0.01 0.00 0.00 0.00 0.00 179.25 179.94 1i1m h ARG 583 N -0.11 1.04 -0.43 0.00 3.08 -1.19 -2.31 114.38 114.45 1i1m h ARG 583 Ca 0.00 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.05 1i1m h ARG 583 Cb 0.13 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 1i1m h ARG 583 CO -0.00 0.69 0.15 -0.44 -1.07 0.00 0.00 179.97 179.30 1i1m h ASP 584 N 1.07 0.16 -0.99 7.04 5.19 -0.87 -1.79 116.42 126.23 1i1m h ASP 584 Ca 0.33 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.83 1i1m h ASP 584 Cb -0.01 0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.48 1i1m h ASP 584 CO -0.11 0.13 0.65 0.58 -3.12 0.00 0.00 179.24 177.37 1i1m h VAL 585 N 0.32 1.18 -0.21 -1.35 2.07 -0.71 0.97 116.25 118.52 1i1m h VAL 585 Ca 0.20 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1i1m h VAL 585 Cb 0.19 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1i1m h VAL 585 CO -0.20 0.23 -0.10 0.40 0.02 0.00 0.00 177.57 177.92 1i1m h ILE 586 N 1.27 1.30 0.11 4.57 2.04 -1.13 -2.24 117.51 123.44 1i1m h ILE 586 Ca 0.39 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1i1m h ILE 586 Cb -0.02 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1i1m h ILE 586 CO -0.12 0.35 -0.06 0.03 0.00 0.00 0.00 178.15 178.36 1i1m h ARG 587 N 0.15 -0.15 -1.01 2.37 3.08 -1.08 -1.32 114.38 116.43 1i1m h ARG 587 Ca 0.05 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.35 1i1m h ARG 587 Cb 0.58 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.57 1i1m h ARG 587 CO 0.03 0.08 0.63 -0.22 -1.07 0.00 0.00 179.97 179.43 1i1m h LYS 588 N -0.36 0.50 -0.18 0.04 1.63 -0.84 0.96 116.57 118.31 1i1m h LYS 588 Ca -0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1i1m h LYS 588 Cb 0.30 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1i1m h LYS 588 CO 0.03 0.33 0.00 0.09 -3.45 0.00 0.00 179.45 176.45 1i1m n ASN 589 N -4.69 2.52 -3.63 4.20 3.02 -0.84 -4.90 115.26 110.93 1i1m n ASN 589 Ca 0.24 -1.83 -0.24 0.00 -0.03 0.00 0.00 54.58 52.72 1i1m n ASN 589 Cb 0.76 -0.11 0.07 0.00 -0.61 0.00 0.00 39.78 39.90 1i1m n ASN 589 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1i1m n ASN 590 N 0.91 -5.69 -4.83 6.41 5.03 0.33 -4.88 115.26 112.55 1i1m n ASN 590 Ca 0.17 -0.59 -0.37 0.00 0.87 0.00 0.00 54.58 54.66 1i1m n ASN 590 Cb 0.49 -4.86 -0.06 0.00 -1.02 0.00 0.00 39.78 34.32 1i1m n ASN 590 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1i1m s LEU 591 N -7.22 4.38 -0.21 3.41 1.43 -0.55 -4.97 118.68 114.95 1i1m s LEU 591 Ca 0.54 0.63 0.10 0.00 -1.03 0.00 0.00 54.13 54.37 1i1m s LEU 591 Cb -0.24 -2.31 -0.20 0.00 0.03 0.00 0.00 46.19 43.47 1i1m s LEU 591 CO 0.75 0.30 -0.06 0.35 0.23 0.00 0.00 176.35 177.92 1i1m n THR 592 N 2.34 1.34 -3.85 5.49 -2.24 -1.26 -4.71 114.28 111.40 1i1m n THR 592 Ca -0.16 -0.69 -0.12 0.00 -2.27 0.00 0.00 64.05 60.81 1i1m n THR 592 Cb 0.53 -0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 67.76 1i1m n THR 592 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i1m s SER 593 N -5.78 -0.05 0.13 3.42 1.04 -1.26 -3.42 113.70 107.78 1i1m s SER 593 Ca -0.20 0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.10 1i1m s SER 593 Cb 0.07 0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.37 1i1m s SER 593 CO 0.69 -0.03 1.08 0.00 0.98 0.00 0.00 173.24 175.96 1i1m s ALA 594 N 0.11 -1.79 -0.20 5.32 0.00 -0.62 -4.57 121.76 120.01 1i1m s ALA 594 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 1i1m s ALA 594 Cb -0.01 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1i1m s ALA 594 CO -0.00 -1.07 -0.07 -0.47 0.00 0.00 0.00 175.76 174.15 1i1m s TYR 595 N -2.43 2.93 -0.11 0.00 5.04 0.78 -0.92 117.35 122.65 1i1m s TYR 595 Ca 0.20 -0.89 -0.06 0.00 -2.44 0.00 0.00 57.07 53.88 1i1m s TYR 595 Cb -0.01 -2.04 -0.04 0.00 0.35 0.00 0.00 41.96 40.22 1i1m s TYR 595 CO 0.03 -0.47 0.13 0.42 -1.34 0.00 0.00 175.55 174.32 1i1m s ILE 596 N 1.19 5.39 -0.41 3.14 1.09 0.11 -1.92 121.20 129.79 1i1m s ILE 596 Ca 0.02 0.13 0.02 0.00 -1.10 0.00 0.00 60.65 59.72 1i1m s ILE 596 Cb -0.14 -3.36 0.13 0.00 -1.06 0.00 0.00 42.46 38.03 1i1m s ILE 596 CO -0.02 0.59 0.21 -0.60 -0.10 0.00 0.00 174.94 175.02 1i1m s ARG 597 N -1.10 1.16 0.15 2.79 6.06 0.12 -1.56 118.95 126.57 1i1m s ARG 597 Ca 0.16 -1.82 -0.30 0.00 -2.50 0.00 0.00 55.73 51.27 1i1m s ARG 597 Cb -0.12 -2.24 -0.07 0.00 0.06 0.00 0.00 34.95 32.58 1i1m s ARG 597 CO 0.05 -1.13 1.05 -2.14 -2.50 0.00 0.00 175.30 170.63 1i1m s PRO 598 N 0.60 4.63 -0.09 5.12 0.02 -1.25 -2.53 135.00 141.50 1i1m s PRO 598 Ca 0.16 1.62 -0.03 0.00 0.02 0.00 0.00 61.00 62.77 1i1m s PRO 598 Cb -0.23 -3.32 0.05 0.00 0.02 0.00 0.00 34.50 31.02 1i1m s PRO 598 CO -0.03 0.12 0.16 -1.17 -0.33 0.00 0.00 177.00 175.75 1i1m s LEU 599 N -0.18 -0.08 -0.18 -5.54 1.98 0.95 -1.89 118.68 113.74 1i1m s LEU 599 Ca 0.49 0.32 -0.03 0.00 -2.89 0.00 0.00 54.13 52.01 1i1m s LEU 599 Cb -0.27 0.28 -0.02 0.00 0.66 0.00 0.00 46.19 46.84 1i1m s LEU 599 CO 0.33 -0.25 -0.04 -0.63 -1.89 0.00 0.00 176.35 173.86 1i1m s ILE 600 N 2.29 3.66 0.05 6.68 1.01 -0.34 -0.57 121.20 133.97 1i1m s ILE 600 Ca 0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1i1m s ILE 600 Cb -0.12 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1i1m s ILE 600 CO -0.06 0.47 0.08 0.72 0.00 0.00 0.00 174.94 176.15 1i1m s PHE 601 N 0.75 0.25 -0.36 3.97 -0.12 -0.38 -0.80 117.98 121.30 1i1m s PHE 601 Ca -0.02 -0.61 -0.27 0.00 -0.05 0.00 0.00 56.93 55.98 1i1m s PHE 601 Cb -0.15 -0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.09 1i1m s PHE 601 CO 0.02 -0.39 1.00 0.08 -0.05 0.00 0.00 175.22 175.88 1i1m s VAL 602 N -2.97 4.53 0.00 -2.49 1.01 -0.96 -1.20 120.40 118.32 1i1m s VAL 602 Ca -0.02 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1i1m s VAL 602 Cb 0.01 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1i1m s VAL 602 CO -0.06 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.10 1i1m n GLY 603 N 4.22 1.12 3.54 4.51 0.00 -1.26 -1.46 105.19 115.86 1i1m n GLY 603 Ca 0.09 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 1i1m n GLY 603 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i1m n ASP 604 N 0.00 2.41 -1.68 1.61 4.64 -1.26 -1.39 116.55 120.88 1i1m n ASP 604 Ca 0.00 -2.62 0.00 0.00 -1.38 0.00 0.00 54.79 50.79 1i1m n ASP 604 Cb 0.00 -1.65 0.00 0.00 -1.04 0.00 0.00 41.12 38.43 1i1m n ASP 604 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 1i1m n VAL 605 N 8.06 0.00 -0.13 5.18 3.14 -1.26 -5.01 118.33 128.31 1i1m n VAL 605 Ca 0.44 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.65 1i1m n VAL 605 Cb 0.46 -0.11 0.16 0.00 -1.06 0.00 0.00 33.84 33.29 1i1m n VAL 605 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1i1m n GLY 606 N 5.00 -3.77 0.93 7.55 0.00 -1.26 -4.80 105.19 108.84 1i1m n GLY 606 Ca 0.00 -1.23 0.10 0.00 0.00 0.00 0.00 46.02 44.89 1i1m n GLY 606 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1i1m n MET 607 N -4.00 2.11 -2.53 1.61 2.81 -1.26 -4.77 117.12 111.10 1i1m n MET 607 Ca 0.08 -1.95 -0.37 0.00 -1.81 0.00 0.00 57.70 53.65 1i1m n MET 607 Cb 0.33 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.37 1i1m n MET 607 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1i1m s GLY 608 N -1.53 2.78 0.25 3.03 0.00 -1.26 -4.93 107.32 105.67 1i1m s GLY 608 Ca 0.29 0.73 -0.03 0.00 0.00 0.00 0.00 44.72 45.72 1i1m s GLY 608 CO 0.27 1.19 1.80 -2.08 0.00 0.00 0.00 173.10 174.28 1i1m h VAL 609 N 2.32 0.87 -3.59 1.40 2.07 -2.03 -3.37 116.25 113.92 1i1m h VAL 609 Ca -0.48 -0.27 -0.63 0.00 0.82 0.00 0.00 66.70 66.14 1i1m h VAL 609 Cb 1.22 0.02 -0.14 0.00 -1.52 0.00 0.00 31.29 30.87 1i1m h VAL 609 CO 0.63 0.14 0.00 0.20 0.02 0.00 0.00 177.57 178.56 1i1m s ASN 610 N -5.58 6.39 0.59 0.57 -0.87 -1.26 -5.05 114.94 109.73 1i1m s ASN 610 Ca -0.12 0.24 -0.20 0.00 -1.57 0.00 0.00 52.86 51.21 1i1m s ASN 610 Cb 0.20 -2.28 -0.03 0.00 -0.02 0.00 0.00 41.25 39.12 1i1m s ASN 610 CO 0.78 -0.42 1.28 -2.84 -2.57 0.00 0.00 177.10 173.33 1i1m s PRO 611 N 2.42 2.91 0.42 -0.60 0.02 -1.26 -4.95 135.00 133.95 1i1m s PRO 611 Ca 0.21 2.02 -0.25 0.00 0.02 0.00 0.00 61.00 62.99 1i1m s PRO 611 Cb -0.15 -2.01 -0.08 0.00 0.02 0.00 0.00 34.50 32.27 1i1m s PRO 611 CO 0.12 -1.31 1.27 -1.25 -0.33 0.00 0.00 177.00 175.50 1i1m s PRO 612 N -3.20 3.92 0.36 5.54 0.04 -1.26 -4.95 135.00 135.45 1i1m s PRO 612 Ca 0.77 2.07 -0.27 0.00 0.04 0.00 0.00 61.00 63.61 1i1m s PRO 612 Cb -0.35 -2.69 -0.12 0.00 0.04 0.00 0.00 34.50 31.38 1i1m s PRO 612 CO 0.39 -0.50 1.11 0.00 0.04 0.00 0.00 177.00 178.04 1i1m n ALA 613 N 0.01 0.48 -0.63 8.56 0.00 -1.26 -2.43 120.51 125.24 1i1m n ALA 613 Ca 0.04 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1i1m n ALA 613 Cb 0.45 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1i1m n ALA 613 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1m n GLY 614 N 1.04 0.79 3.82 0.00 0.00 -1.26 -5.05 105.19 104.53 1i1m n GLY 614 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1i1m n GLY 614 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i1m s TYR 615 N -2.99 2.81 0.07 1.61 -0.85 -1.02 -5.08 117.35 111.90 1i1m s TYR 615 Ca 0.00 1.00 0.01 0.00 -0.52 0.00 0.00 57.07 57.57 1i1m s TYR 615 Cb 0.00 -3.24 -0.04 0.00 0.38 0.00 0.00 41.96 39.07 1i1m s TYR 615 CO 0.00 -1.88 -0.06 -1.54 -1.52 0.00 0.00 175.55 170.55 1i1m s SER 616 N -4.07 0.94 0.34 -0.18 1.04 -1.26 -4.85 113.70 105.65 1i1m s SER 616 Ca 0.61 -0.85 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 1i1m s SER 616 Cb -0.14 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1i1m s SER 616 CO 0.53 -0.40 0.55 0.42 0.98 0.00 0.00 173.24 175.32 1i1m s THR 617 N -2.93 5.09 -0.07 2.02 -4.23 -1.24 -4.64 115.64 109.64 1i1m s THR 617 Ca 0.04 -0.36 -0.09 0.00 -1.18 0.00 0.00 61.69 60.09 1i1m s THR 617 Cb 0.01 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 1i1m s THR 617 CO -0.04 -0.52 0.23 -1.81 -0.54 0.00 0.00 174.62 171.94 1i1m s ASP 618 N -3.88 6.53 0.01 3.99 1.01 -0.34 -4.92 116.67 119.06 1i1m s ASP 618 Ca 0.41 0.63 0.08 0.00 0.71 0.00 0.00 52.55 54.38 1i1m s ASP 618 Cb -0.10 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 1i1m s ASP 618 CO 0.35 0.37 -0.26 -0.69 0.21 0.00 0.00 175.17 175.16 1i1m s VAL 619 N -1.07 2.05 -0.00 -1.27 1.01 -1.26 -1.25 120.40 118.61 1i1m s VAL 619 Ca 0.19 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1i1m s VAL 619 Cb -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1i1m s VAL 619 CO 0.08 0.47 -0.01 -0.63 0.00 0.00 0.00 175.10 175.01 1i1m s ILE 620 N -0.69 0.06 -0.16 2.22 -1.09 0.26 -1.90 121.20 119.90 1i1m s ILE 620 Ca 0.11 -0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.48 1i1m s ILE 620 Cb -0.10 -0.07 0.05 0.00 -1.58 0.00 0.00 42.46 40.76 1i1m s ILE 620 CO 0.00 0.02 0.04 -0.63 -1.23 0.00 0.00 174.94 173.14 1i1m s ILE 621 N 0.06 0.40 -0.04 2.92 1.01 -0.51 -0.04 121.20 125.00 1i1m s ILE 621 Ca -0.00 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1i1m s ILE 621 Cb -0.01 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 1i1m s ILE 621 CO -0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 174.94 174.61 1i1m s ALA 622 N 1.93 2.29 0.05 9.38 0.00 -1.05 -1.77 121.76 132.58 1i1m s ALA 622 Ca 0.01 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 50.98 1i1m s ALA 622 Cb -0.16 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1i1m s ALA 622 CO -0.07 0.49 -0.20 0.00 0.00 0.00 0.00 175.76 175.98 1i1m s ALA 623 N -0.47 1.66 -0.09 0.00 0.00 -1.26 0.14 121.76 121.74 1i1m s ALA 623 Ca 0.06 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 1i1m s ALA 623 Cb -0.11 -0.31 0.12 0.00 0.00 0.00 0.00 23.12 22.82 1i1m s ALA 623 CO 0.01 0.36 0.96 -0.59 0.00 0.00 0.00 175.76 176.50 1i1m s PHE 624 N -0.84 -0.34 0.31 0.00 -0.12 -0.81 -4.56 117.98 111.62 1i1m s PHE 624 Ca 0.06 0.41 -0.29 0.00 -0.05 0.00 0.00 56.93 57.06 1i1m s PHE 624 Cb -0.09 0.49 -0.10 0.00 -0.63 0.00 0.00 43.02 42.70 1i1m s PHE 624 CO 0.02 -0.42 1.22 -2.14 -0.05 0.00 0.00 175.22 173.85 1i1m s PRO 625 N -2.10 4.46 -0.18 1.99 0.02 -1.26 -0.16 135.00 137.78 1i1m s PRO 625 Ca 0.02 2.05 -0.07 0.00 0.02 0.00 0.00 61.00 63.02 1i1m s PRO 625 Cb -0.01 -3.11 0.08 0.00 0.02 0.00 0.00 34.50 31.48 1i1m s PRO 625 CO -0.03 -0.03 0.39 -0.46 -0.33 0.00 0.00 177.00 176.54 1i1m s TRP 626 N -1.15 -0.70 0.00 6.54 -0.00 -1.26 -4.81 118.94 117.56 1i1m s TRP 626 Ca 0.47 1.39 0.00 0.00 -0.00 0.00 0.00 56.10 57.96 1i1m s TRP 626 Cb -0.36 0.25 0.00 0.00 -0.00 0.00 0.00 33.47 33.35 1i1m s TRP 626 CO 0.48 -0.43 0.00 0.41 -0.00 0.00 0.00 176.95 177.41 1i1m n GLY 627 N 5.11 -1.71 3.70 5.86 0.00 -1.26 -4.83 105.19 112.06 1i1m n GLY 627 Ca -0.12 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1i1m n GLY 627 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1m s ALA 628 N -3.32 3.61 0.16 4.61 0.00 -1.26 -4.93 121.76 120.63 1i1m s ALA 628 Ca 0.00 1.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.85 1i1m s ALA 628 Cb 0.00 -3.59 0.08 0.00 0.00 0.00 0.00 23.12 19.61 1i1m s ALA 628 CO 0.00 -0.82 1.72 -0.92 0.00 0.00 0.00 175.76 175.74 1i1m h TYR 629 N 7.45 0.06 -0.17 0.00 3.20 -1.86 -2.59 116.97 123.06 1i1m h TYR 629 Ca -0.41 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.49 1i1m h TYR 629 Cb 1.20 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1i1m h TYR 629 CO 0.71 -0.02 0.00 1.28 -1.64 0.00 0.00 178.16 178.49 1i1m n LEU 630 N -5.13 1.48 0.00 2.82 4.77 -1.26 -5.01 117.00 114.66 1i1m n LEU 630 Ca 0.02 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1i1m n LEU 630 Cb 0.17 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1i1m n LEU 630 CO 0.23 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1i1m n GLY 631 N 1.07 3.77 0.13 -0.72 0.00 -0.98 -4.67 105.19 103.80 1i1m n GLY 631 Ca 0.15 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 1i1m n GLY 631 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1m h ALA 632 N 0.00 -0.04 -0.03 4.61 0.00 -1.95 -2.70 119.26 119.14 1i1m h ALA 632 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1i1m h ALA 632 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1i1m h ALA 632 CO 0.00 -0.56 0.00 0.39 0.00 0.00 0.00 179.25 179.08 1i1m n GLU 633 N -5.21 1.43 -0.22 0.00 -0.58 -1.26 -4.28 120.64 110.51 1i1m n GLU 633 Ca -0.05 -0.63 -0.03 0.00 -0.42 0.00 0.00 57.16 56.04 1i1m n GLU 633 Cb 0.14 -1.45 0.15 0.00 -0.57 0.00 0.00 31.44 29.71 1i1m n GLU 633 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1i1m h ALA 634 N 4.14 1.21 0.00 0.62 0.00 -1.75 -0.31 119.26 123.17 1i1m h ALA 634 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1i1m h ALA 634 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1i1m h ALA 634 CO 0.00 0.59 -0.35 -0.07 0.00 0.00 0.00 179.25 179.42 1i1m h LEU 635 N 1.02 0.00 0.00 0.00 3.38 -1.75 -0.72 115.31 117.23 1i1m h LEU 635 Ca 0.24 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.02 1i1m h LEU 635 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1i1m h LEU 635 CO -0.03 0.35 -1.21 1.21 0.09 0.00 0.00 178.44 178.86 1i1m n GLU 636 N -4.06 0.54 0.06 1.13 2.13 -1.07 -4.62 120.64 114.75 1i1m n GLU 636 Ca -0.02 0.52 0.04 0.00 0.66 0.00 0.00 57.16 58.36 1i1m n GLU 636 Cb 0.39 -1.70 -0.05 0.00 0.27 0.00 0.00 31.44 30.36 1i1m n GLU 636 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1i1m h GLN 637 N -1.00 0.00 0.00 5.31 4.20 -1.17 -3.39 115.11 119.06 1i1m h GLN 637 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1i1m h GLN 637 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1i1m h GLN 637 CO -0.18 0.21 0.00 0.41 -0.67 0.00 0.00 178.83 178.60 1i1m n GLY 638 N 1.32 0.25 3.46 3.46 0.00 -0.28 -4.40 105.19 109.00 1i1m n GLY 638 Ca -0.06 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 43.86 1i1m n GLY 638 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i1m s ILE 639 N -1.71 1.46 -0.29 -0.61 -4.36 -0.16 -4.70 121.20 110.82 1i1m s ILE 639 Ca 0.00 -2.04 -0.09 0.00 -0.26 0.00 0.00 60.65 58.26 1i1m s ILE 639 Cb 0.00 -2.70 -0.01 0.00 1.25 0.00 0.00 42.46 41.00 1i1m s ILE 639 CO 0.00 -0.11 0.13 -1.81 0.24 0.00 0.00 174.94 173.39 1i1m s ASP 640 N -3.50 5.43 0.26 4.36 1.01 -1.26 -0.85 116.67 122.12 1i1m s ASP 640 Ca 0.34 -0.42 0.07 0.00 0.71 0.00 0.00 52.55 53.24 1i1m s ASP 640 Cb 0.07 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 1i1m s ASP 640 CO 0.14 -0.14 0.24 0.00 0.21 0.00 0.00 175.17 175.62 1i1m s ALA 641 N 1.61 3.69 -0.01 5.23 0.00 -0.02 -1.23 121.76 131.03 1i1m s ALA 641 Ca 0.05 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1i1m s ALA 641 Cb -0.16 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1i1m s ALA 641 CO 0.05 0.22 -0.04 1.41 0.00 0.00 0.00 175.76 177.40 1i1m s MET 642 N -3.89 0.45 -0.19 0.00 1.75 -0.91 -0.88 119.30 115.63 1i1m s MET 642 Ca 0.34 -0.14 -0.29 0.00 -1.25 0.00 0.00 55.69 54.35 1i1m s MET 642 Cb -0.08 -0.46 0.00 0.00 2.84 0.00 0.00 34.83 37.13 1i1m s MET 642 CO 0.26 0.06 1.07 0.08 -0.65 0.00 0.00 175.02 175.84 1i1m s VAL 643 N 0.13 4.62 0.62 10.11 1.01 -1.26 -0.35 120.40 135.29 1i1m s VAL 643 Ca -0.01 1.94 -0.15 0.00 0.00 0.00 0.00 61.98 63.76 1i1m s VAL 643 Cb -0.05 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1i1m s VAL 643 CO -0.00 -0.13 1.07 -0.55 0.00 0.00 0.00 175.10 175.49 1i1m s SER 644 N 1.30 5.57 0.00 3.32 0.15 -0.12 -4.89 113.70 119.04 1i1m s SER 644 Ca 0.47 1.83 0.28 0.00 0.70 0.00 0.00 55.95 59.22 1i1m s SER 644 Cb -0.17 -2.53 0.98 0.00 -1.71 0.00 0.00 66.02 62.59 1i1m s SER 644 CO 0.10 -1.31 1.72 -1.54 1.20 0.00 0.00 173.24 173.41 1i1m n SER 645 N -2.28 0.54 -4.82 5.45 3.41 -1.26 -4.71 113.62 109.93 1i1m n SER 645 Ca 0.09 -0.44 -0.36 0.00 -0.26 0.00 0.00 58.87 57.90 1i1m n SER 645 Cb 0.53 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 1i1m n SER 645 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1i1m s TRP 646 N -2.65 3.52 0.25 7.33 0.52 -1.26 -5.11 118.94 121.54 1i1m s TRP 646 Ca 0.22 0.45 0.03 0.00 0.02 0.00 0.00 56.10 56.83 1i1m s TRP 646 Cb 0.19 -2.02 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1i1m s TRP 646 CO 0.54 0.57 0.40 -0.80 0.02 0.00 0.00 176.95 177.68 1i1m s ASN 647 N -0.53 6.32 0.43 2.95 0.02 -1.26 -4.37 114.94 118.49 1i1m s ASN 647 Ca 0.12 0.20 -0.11 0.00 -1.02 0.00 0.00 52.86 52.06 1i1m s ASN 647 Cb -0.12 -1.92 -0.06 0.00 0.02 0.00 0.00 41.25 39.17 1i1m s ASN 647 CO 0.02 -0.10 0.80 -0.13 0.02 0.00 0.00 177.10 177.71 1i1m s ARG 648 N -3.89 3.77 0.13 -0.60 0.52 -0.70 -4.98 118.95 113.19 1i1m s ARG 648 Ca 0.36 0.51 -0.33 0.00 -0.52 0.00 0.00 55.73 55.75 1i1m s ARG 648 Cb -0.10 -2.36 -0.18 0.00 0.52 0.00 0.00 34.95 32.84 1i1m s ARG 648 CO 0.30 -0.09 0.78 0.00 0.02 0.00 0.00 175.30 176.32 1i1m n ALA 649 N -1.44 -2.93 -1.60 2.13 0.00 -1.26 -4.10 120.51 111.31 1i1m n ALA 649 Ca 0.03 0.50 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 1i1m n ALA 649 Cb 0.54 -1.71 0.04 0.00 0.00 0.00 0.00 19.45 18.32 1i1m n ALA 649 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i1m s ALA 650 N -0.57 2.52 0.22 0.00 0.00 -1.26 -4.79 121.76 117.88 1i1m s ALA 650 Ca 0.74 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 1i1m s ALA 650 Cb -1.04 -3.35 0.23 0.00 0.00 0.00 0.00 23.12 18.95 1i1m s ALA 650 CO 0.56 -1.15 1.51 -2.30 0.00 0.00 0.00 175.76 174.38 1i1m n PRO 651 N -2.01 -0.23 -2.07 0.00 -0.02 -1.26 -2.97 135.00 126.43 1i1m n PRO 651 Ca 0.11 1.49 -0.31 0.00 -2.02 0.00 0.00 63.50 62.78 1i1m n PRO 651 Cb 0.51 -2.22 0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1i1m n PRO 651 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1i1m n ASN 652 N -5.43 5.90 0.00 2.55 5.15 -1.26 -4.70 115.26 117.47 1i1m n ASN 652 Ca 0.10 -3.77 0.00 0.00 -0.60 0.00 0.00 54.58 50.31 1i1m n ASN 652 Cb 0.39 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 1i1m n ASN 652 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1i1m n THR 653 N -0.61 0.00 -3.93 -0.44 -2.24 -1.16 -4.99 114.28 100.92 1i1m n THR 653 Ca 0.47 0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 62.03 1i1m n THR 653 Cb 0.62 -0.93 -0.15 0.00 -2.10 0.00 0.00 70.33 67.77 1i1m n THR 653 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1i1m s ILE 654 N -0.59 1.61 -0.44 2.28 1.01 -1.26 -5.08 121.20 118.73 1i1m s ILE 654 Ca 0.00 -1.50 -0.44 0.00 0.00 0.00 0.00 60.65 58.71 1i1m s ILE 654 Cb 0.00 -1.98 -0.18 0.00 0.01 0.00 0.00 42.46 40.31 1i1m s ILE 654 CO 0.00 -0.29 1.84 -0.81 0.00 0.00 0.00 174.94 175.67 1i1m n PRO 655 N 4.60 0.33 0.04 2.79 -0.04 -1.26 -4.86 135.00 136.60 1i1m n PRO 655 Ca -0.07 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 1i1m n PRO 655 Cb 0.43 -1.71 0.51 0.00 -0.04 0.00 0.00 33.50 32.69 1i1m n PRO 655 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1i1m n THR 656 N 5.13 0.20 0.35 0.52 -2.24 -1.26 -3.34 114.28 113.64 1i1m n THR 656 Ca 0.38 -0.10 0.13 0.00 -2.27 0.00 0.00 64.05 62.19 1i1m n THR 656 Cb 0.01 -0.46 0.37 0.00 -2.10 0.00 0.00 70.33 68.15 1i1m n THR 656 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i1m h ALA 657 N 2.83 1.00 -2.84 6.98 0.00 -1.89 -3.38 119.26 121.97 1i1m h ALA 657 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1i1m h ALA 657 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1i1m h ALA 657 CO 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 179.25 179.06 1i1m s ALA 658 N -3.30 3.59 -1.18 0.00 0.00 -1.21 -4.74 121.76 114.92 1i1m s ALA 658 Ca 0.06 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 1i1m s ALA 658 Cb 0.08 -2.50 0.21 0.00 0.00 0.00 0.00 23.12 20.91 1i1m s ALA 658 CO 0.59 0.23 1.38 1.17 0.00 0.00 0.00 175.76 179.13 1i1m n LYS 659 N 2.81 3.50 -4.09 0.00 4.81 -1.26 -5.00 118.16 118.93 1i1m n LYS 659 Ca -0.11 -4.04 -0.27 0.00 -0.87 0.00 0.00 58.31 53.03 1i1m n LYS 659 Cb 0.52 -2.86 -0.06 0.00 0.02 0.00 0.00 35.03 32.65 1i1m n LYS 659 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i1m s ALA 660 N 0.40 3.53 0.12 3.14 0.00 -1.26 -1.88 121.76 125.80 1i1m s ALA 660 Ca 0.38 -1.22 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 1i1m s ALA 660 Cb -0.04 -1.33 -0.06 0.00 0.00 0.00 0.00 23.12 21.69 1i1m s ALA 660 CO -0.02 0.52 1.68 0.78 0.00 0.00 0.00 175.76 178.73 1i1m h GLY 661 N 2.51 -0.10 0.90 0.00 0.00 -1.12 -2.80 103.07 102.47 1i1m h GLY 661 Ca -0.47 0.14 0.13 0.00 0.00 0.00 0.00 47.33 47.12 1i1m h GLY 661 CO 0.63 -0.12 0.43 -1.33 0.00 0.00 0.00 176.54 176.14 1i1m h GLY 662 N -0.18 0.00 1.54 4.60 0.00 -1.72 -1.51 103.07 105.80 1i1m h GLY 662 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1i1m h GLY 662 CO -0.15 0.00 0.27 3.43 0.00 0.00 0.00 176.54 180.09 1i1m h ASN 663 N 0.00 0.42 0.08 0.19 2.35 -1.82 -3.13 115.58 113.66 1i1m h ASN 663 Ca 0.20 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1i1m h ASN 663 Cb 1.06 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1i1m h ASN 663 CO -0.00 0.29 0.00 -1.22 -1.65 0.00 0.00 177.43 174.85 1i1m n TYR 664 N -4.48 0.00 0.05 1.19 4.02 -0.57 -2.14 117.16 115.23 1i1m n TYR 664 Ca 0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.88 1i1m n TYR 664 Cb 0.11 -0.15 0.17 0.00 -0.02 0.00 0.00 39.34 39.45 1i1m n TYR 664 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1i1m h LEU 665 N 0.00 0.38 -0.12 7.72 3.38 -1.77 -1.23 115.31 123.68 1i1m h LEU 665 Ca 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1i1m h LEU 665 Cb 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1i1m h LEU 665 CO 0.00 0.77 -0.01 -1.28 0.09 0.00 0.00 178.44 178.01 1i1m h SER 666 N 0.30 0.21 -0.22 -0.43 0.87 -1.70 -2.19 113.55 110.40 1i1m h SER 666 Ca 0.02 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.23 1i1m h SER 666 Cb 0.88 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 1i1m h SER 666 CO 0.07 0.48 0.06 0.28 -0.53 0.00 0.00 176.83 177.20 1i1m h SER 667 N -0.07 0.39 -0.08 6.23 0.02 -1.65 -1.27 113.55 117.13 1i1m h SER 667 Ca 0.03 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1i1m h SER 667 Cb 0.38 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 1i1m h SER 667 CO 0.01 0.40 0.02 0.25 -1.14 0.00 0.00 176.83 176.37 1i1m h LEU 668 N 0.42 0.12 -0.22 5.07 7.12 -1.03 -0.98 115.31 125.81 1i1m h LEU 668 Ca 0.10 -0.24 -0.00 0.00 0.13 0.00 0.00 57.88 57.87 1i1m h LEU 668 Cb 0.18 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 1i1m h LEU 668 CO -0.00 0.33 0.13 -0.07 -0.13 0.00 0.00 178.44 178.69 1i1m h LEU 669 N -0.09 0.27 0.11 2.25 3.38 -0.96 -0.36 115.31 119.91 1i1m h LEU 669 Ca 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1i1m h LEU 669 Cb 0.25 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1i1m h LEU 669 CO 0.00 0.25 -0.05 0.58 0.09 0.00 0.00 178.44 179.31 1i1m h VAL 670 N 0.27 0.98 -0.46 1.22 2.07 -1.25 -2.84 116.25 116.24 1i1m h VAL 670 Ca 0.08 -0.33 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1i1m h VAL 670 Cb 0.03 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1i1m h VAL 670 CO -0.01 0.08 -0.23 1.23 0.02 0.00 0.00 177.57 178.65 1i1m h GLY 671 N -0.30 1.05 1.59 2.17 0.00 -1.15 -3.12 103.07 103.32 1i1m h GLY 671 Ca -0.01 -0.94 -0.10 0.00 0.00 0.00 0.00 47.33 46.28 1i1m h GLY 671 CO 0.02 0.86 -0.25 1.48 0.00 0.00 0.00 176.54 178.65 1i1m h SER 672 N 0.83 0.48 -0.71 0.19 4.64 -1.11 -2.41 113.55 115.45 1i1m h SER 672 Ca 0.10 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1i1m h SER 672 Cb 0.81 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.74 1i1m h SER 672 CO 0.07 0.73 0.27 -0.08 -0.87 0.00 0.00 176.83 176.95 1i1m h GLU 673 N 0.42 1.07 -0.11 4.77 4.81 -1.48 0.20 114.58 124.26 1i1m h GLU 673 Ca 0.06 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1i1m h GLU 673 Cb 0.67 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1i1m h GLU 673 CO 0.05 0.89 0.02 0.00 -0.73 0.00 0.00 179.01 179.24 1i1m h ALA 674 N 1.13 0.14 0.00 2.92 0.00 -1.45 -3.01 119.26 118.99 1i1m h ALA 674 Ca 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1i1m h ALA 674 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1i1m h ALA 674 CO -0.02 -0.20 -0.25 0.00 0.00 0.00 0.00 179.25 178.79 1i1m h ARG 675 N -0.05 0.00 0.00 0.00 3.08 -1.24 -0.84 114.38 115.33 1i1m h ARG 675 Ca 0.03 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1i1m h ARG 675 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1i1m h ARG 675 CO 0.00 0.25 -0.28 0.00 -1.07 0.00 0.00 179.97 178.87 1i1m h ARG 676 N 0.00 0.00 -0.59 0.04 3.08 -0.85 -2.96 114.38 113.10 1i1m h ARG 676 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i1m h ARG 676 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1i1m h ARG 676 CO 0.03 0.28 0.00 0.72 -1.07 0.00 0.00 179.97 179.93 1i1m n HIS 677 N -3.55 1.51 -0.54 3.04 8.25 -0.86 -4.95 115.22 118.13 1i1m n HIS 677 Ca -0.01 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 1i1m n HIS 677 Cb 0.42 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1i1m n HIS 677 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i1m n GLY 678 N 0.88 0.76 3.95 -1.41 0.00 -1.12 -5.07 105.19 103.19 1i1m n GLY 678 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1i1m n GLY 678 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1m s TYR 679 N -2.87 3.38 0.01 1.61 1.51 -0.38 -4.99 117.35 115.62 1i1m s TYR 679 Ca 0.00 0.27 0.11 0.00 -1.01 0.00 0.00 57.07 56.44 1i1m s TYR 679 Cb 0.00 -2.05 -0.21 0.00 -0.11 0.00 0.00 41.96 39.59 1i1m s TYR 679 CO 0.00 -0.06 0.91 1.96 -1.11 0.00 0.00 175.55 177.25 1i1m h GLN 680 N 0.63 0.00 -3.02 -0.62 7.50 -1.43 -3.23 115.11 114.95 1i1m h GLN 680 Ca -0.48 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 58.61 1i1m h GLN 680 Cb 1.23 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 28.61 1i1m h GLN 680 CO 0.59 0.65 -0.01 -2.00 -1.50 0.00 0.00 178.83 176.56 1i1m s GLU 681 N -2.66 1.03 0.02 1.46 2.56 -1.24 -4.83 118.70 115.05 1i1m s GLU 681 Ca -0.02 -0.41 0.04 0.00 0.00 0.00 0.00 54.97 54.58 1i1m s GLU 681 Cb 0.09 0.46 -0.04 0.00 2.00 0.00 0.00 34.13 36.65 1i1m s GLU 681 CO 0.82 -0.38 -0.06 0.20 -0.56 0.00 0.00 175.26 175.28 1i1m s GLY 682 N -2.25 1.78 -0.19 -1.50 0.00 -1.26 -2.14 107.32 101.75 1i1m s GLY 682 Ca -0.03 -1.05 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 1i1m s GLY 682 CO -0.05 -0.94 -0.01 -0.42 0.00 0.00 0.00 173.10 171.67 1i1m s ILE 683 N -1.06 3.85 -0.01 0.90 1.01 0.52 -1.57 121.20 124.85 1i1m s ILE 683 Ca 0.19 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 1i1m s ILE 683 Cb -0.11 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1i1m s ILE 683 CO 0.09 0.44 0.19 0.00 0.00 0.00 0.00 174.94 175.67 1i1m s ALA 684 N 0.96 3.95 0.22 9.38 0.00 0.24 -0.95 121.76 135.55 1i1m s ALA 684 Ca 0.01 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1i1m s ALA 684 Cb -0.14 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 1i1m s ALA 684 CO 0.02 0.74 0.29 -0.51 0.00 0.00 0.00 175.76 176.29 1i1m s LEU 685 N -1.92 4.16 0.00 0.00 1.43 -1.26 -1.42 118.68 119.68 1i1m s LEU 685 Ca 0.27 -0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1i1m s LEU 685 Cb -0.13 -2.71 0.13 0.00 0.03 0.00 0.00 46.19 43.51 1i1m s LEU 685 CO 0.18 -0.03 0.83 -0.90 0.23 0.00 0.00 176.35 176.67 1i1m n ASP 686 N -1.10 0.53 0.20 2.29 5.75 0.68 -1.73 116.55 123.17 1i1m n ASP 686 Ca -0.08 -1.58 0.14 0.00 -0.01 0.00 0.00 54.79 53.26 1i1m n ASP 686 Cb 0.56 -0.60 0.69 0.00 -1.03 0.00 0.00 41.12 40.74 1i1m n ASP 686 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1i1m h VAL 687 N -1.04 0.00 0.00 2.12 -1.51 -1.88 -2.16 116.25 111.77 1i1m h VAL 687 Ca -0.27 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1i1m h VAL 687 Cb 0.86 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1i1m h VAL 687 CO 0.24 0.00 -0.61 0.59 -1.23 0.00 0.00 177.57 176.56 1i1m n ASN 688 N -2.54 0.67 0.00 4.19 3.02 -1.26 -4.95 115.26 114.39 1i1m n ASN 688 Ca -0.00 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1i1m n ASN 688 Cb 0.15 0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1i1m n ASN 688 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1m n GLY 689 N 1.35 0.96 3.91 7.41 0.00 -0.81 -5.10 105.19 112.92 1i1m n GLY 689 Ca 0.04 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1i1m n GLY 689 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1m s TYR 690 N -2.00 3.21 0.15 1.61 4.12 -1.26 -4.31 117.35 118.87 1i1m s TYR 690 Ca 0.00 -0.12 -0.31 0.00 0.02 0.00 0.00 57.07 56.66 1i1m s TYR 690 Cb 0.00 -1.63 -0.09 0.00 -1.52 0.00 0.00 41.96 38.72 1i1m s TYR 690 CO 0.00 0.34 1.41 0.42 0.02 0.00 0.00 175.55 177.74 1i1m s ILE 691 N -2.11 3.13 0.00 2.71 1.01 -0.34 -0.23 121.20 125.37 1i1m s ILE 691 Ca 0.37 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.85 1i1m s ILE 691 Cb -0.08 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1i1m s ILE 691 CO 0.28 0.08 0.00 -0.24 0.00 0.00 0.00 174.94 175.06 1i1m n SER 692 N 3.62 0.00 0.00 3.58 2.88 -0.50 -4.66 113.62 118.53 1i1m n SER 692 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1i1m n SER 692 Cb 0.42 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1i1m n SER 692 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1i1m n GLU 693 N -2.42 -2.71 -1.58 -1.46 0.28 -1.15 -4.64 120.64 106.96 1i1m n GLU 693 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1i1m n GLU 693 Cb 0.00 0.00 0.19 0.00 1.43 0.00 0.00 31.44 33.06 1i1m n GLU 693 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1i1m s GLY 694 N 0.00 1.66 0.35 -1.84 0.00 0.29 -0.60 107.32 107.19 1i1m s GLY 694 Ca 0.00 -0.94 0.09 0.00 0.00 0.00 0.00 44.72 43.88 1i1m s GLY 694 CO 0.00 -0.19 1.83 0.00 0.00 0.00 0.00 173.10 174.74 1i1m h ALA 695 N -1.87 1.85 -0.04 3.20 0.00 -1.63 -3.29 119.26 117.49 1i1m h ALA 695 Ca -0.46 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1i1m h ALA 695 Cb 1.28 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.70 1i1m h ALA 695 CO 0.44 -0.15 -0.71 0.41 0.00 0.00 0.00 179.25 179.24 1i1m n GLY 696 N -1.41 0.95 3.42 0.00 0.00 -1.26 -4.58 105.19 102.31 1i1m n GLY 696 Ca 0.20 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1i1m n GLY 696 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i1m s GLU 697 N -0.31 0.80 0.71 1.61 1.03 -1.24 -4.85 118.70 116.45 1i1m s GLU 697 Ca 0.19 0.34 -0.12 0.00 0.03 0.00 0.00 54.97 55.41 1i1m s GLU 697 Cb 0.24 0.38 0.02 0.00 -0.80 0.00 0.00 34.13 33.97 1i1m s GLU 697 CO -0.09 -0.19 1.08 -0.80 -1.33 0.00 0.00 175.26 173.92 1i1m s ASN 698 N -0.66 5.04 -0.08 0.83 0.01 0.51 -0.55 114.94 120.05 1i1m s ASN 698 Ca -0.07 1.76 0.04 0.00 -0.71 0.00 0.00 52.86 53.87 1i1m s ASN 698 Cb -0.03 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.10 1i1m s ASN 698 CO 0.05 -1.67 -0.19 -0.22 -1.51 0.00 0.00 177.10 173.56 1i1m s LEU 699 N -5.52 2.40 0.08 0.60 1.98 -1.26 -1.14 118.68 115.81 1i1m s LEU 699 Ca 0.61 -0.40 0.07 0.00 -2.89 0.00 0.00 54.13 51.52 1i1m s LEU 699 Cb -0.16 -1.48 -0.03 0.00 0.66 0.00 0.00 46.19 45.18 1i1m s LEU 699 CO 0.52 0.23 -0.18 -0.36 -1.89 0.00 0.00 176.35 174.67 1i1m s PHE 700 N -0.09 1.57 0.03 5.38 0.40 0.02 -4.32 117.98 120.97 1i1m s PHE 700 Ca -0.04 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 55.92 1i1m s PHE 700 Cb -0.14 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.48 1i1m s PHE 700 CO 0.04 0.12 -0.12 -1.21 0.70 0.00 0.00 175.22 174.75 1i1m s GLU 701 N -1.63 0.84 -0.13 0.44 2.02 -0.35 -1.44 118.70 118.46 1i1m s GLU 701 Ca 0.04 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.40 1i1m s GLU 701 Cb -0.09 -0.81 0.01 0.00 0.10 0.00 0.00 34.13 33.33 1i1m s GLU 701 CO 0.03 0.20 -0.22 0.08 0.02 0.00 0.00 175.26 175.37 1i1m s VAL 702 N -0.77 2.12 -0.12 2.63 1.01 0.48 -0.16 120.40 125.59 1i1m s VAL 702 Ca 0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1i1m s VAL 702 Cb -0.07 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.53 1i1m s VAL 702 CO 0.01 0.55 0.13 -0.75 0.00 0.00 0.00 175.10 175.04 1i1m s LYS 703 N 0.66 0.04 -1.38 2.72 2.47 -0.51 -0.61 119.74 123.13 1i1m s LYS 703 Ca -0.11 0.31 -0.09 0.00 -1.56 0.00 0.00 55.97 54.53 1i1m s LYS 703 Cb -0.16 -0.85 0.03 0.00 -1.46 0.00 0.00 37.83 35.39 1i1m s LYS 703 CO 0.02 -0.46 1.11 -0.25 0.16 0.00 0.00 175.35 175.93 1i1m n ASP 704 N 5.31 -5.43 0.00 1.43 8.00 -1.26 -1.96 116.55 122.64 1i1m n ASP 704 Ca -0.05 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.84 1i1m n ASP 704 Cb 0.50 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.84 1i1m n ASP 704 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1m n GLY 705 N -1.84 0.80 3.65 0.44 0.00 -1.26 -5.02 105.19 101.95 1i1m n GLY 705 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1i1m n GLY 705 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1m s VAL 706 N -3.27 4.25 -0.03 1.61 1.01 -0.83 -4.42 120.40 118.72 1i1m s VAL 706 Ca 0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1i1m s VAL 706 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1i1m s VAL 706 CO 0.00 0.58 0.56 -0.76 0.00 0.00 0.00 175.10 175.48 1i1m s LEU 707 N -0.64 4.38 0.01 3.92 1.43 -0.03 -1.42 118.68 126.34 1i1m s LEU 707 Ca 0.10 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.33 1i1m s LEU 707 Cb -0.12 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1i1m s LEU 707 CO 0.02 0.09 -0.18 -0.36 0.23 0.00 0.00 176.35 176.15 1i1m s PHE 708 N -0.04 1.56 -0.13 0.29 0.40 0.77 -0.17 117.98 120.66 1i1m s PHE 708 Ca 0.30 -0.32 -0.15 0.00 -0.60 0.00 0.00 56.93 56.15 1i1m s PHE 708 Cb -0.17 -0.98 0.04 0.00 0.51 0.00 0.00 43.02 42.42 1i1m s PHE 708 CO 0.15 0.01 0.41 0.99 0.70 0.00 0.00 175.22 177.49 1i1m s THR 709 N -0.56 0.01 0.45 0.64 2.01 -0.87 -1.21 115.64 116.11 1i1m s THR 709 Ca 0.06 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1i1m s THR 709 Cb -0.07 -0.61 -0.08 0.00 0.01 0.00 0.00 72.50 71.76 1i1m s THR 709 CO 0.00 -0.04 1.18 -2.84 -0.69 0.00 0.00 174.62 172.24 1i1m s PRO 710 N -0.06 3.81 0.93 4.92 0.02 -1.24 -1.49 135.00 141.89 1i1m s PRO 710 Ca -0.02 1.83 -0.13 0.00 0.02 0.00 0.00 61.00 62.69 1i1m s PRO 710 Cb -0.03 -2.49 0.15 0.00 0.02 0.00 0.00 34.50 32.16 1i1m s PRO 710 CO 0.01 -0.52 1.16 -1.25 -0.33 0.00 0.00 177.00 176.08 1i1m s PRO 711 N -2.58 0.94 0.52 5.54 0.04 -1.26 -4.81 135.00 133.38 1i1m s PRO 711 Ca 0.62 0.16 0.22 0.00 0.04 0.00 0.00 61.00 62.04 1i1m s PRO 711 Cb -0.30 -1.83 1.38 0.00 0.04 0.00 0.00 34.50 33.79 1i1m s PRO 711 CO 0.37 -2.31 2.11 0.74 0.04 0.00 0.00 177.00 177.95 1i1m h PHE 712 N -1.57 0.00 0.00 0.56 0.04 -1.95 -1.82 116.94 112.19 1i1m h PHE 712 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 1i1m h PHE 712 Cb 1.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.47 1i1m h PHE 712 CO -0.11 0.09 0.00 0.25 -0.60 0.00 0.00 178.31 177.94 1i1m n THR 713 N -4.03 0.54 -0.84 -1.55 -2.24 -1.26 -2.02 114.28 102.87 1i1m n THR 713 Ca -0.02 0.13 -0.18 0.00 -2.27 0.00 0.00 64.05 61.71 1i1m n THR 713 Cb 0.18 -0.93 0.17 0.00 -2.10 0.00 0.00 70.33 67.65 1i1m n THR 713 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1i1m n SER 714 N -1.23 3.74 -2.10 3.42 7.64 -0.68 -4.85 113.62 119.56 1i1m n SER 714 Ca 0.07 -3.29 -0.19 0.00 1.01 0.00 0.00 58.87 56.46 1i1m n SER 714 Cb 0.09 -0.77 -0.02 0.00 -1.01 0.00 0.00 64.21 62.50 1i1m n SER 714 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1i1m n SER 715 N -0.76 -5.46 -4.70 6.43 7.64 -0.86 -4.33 113.62 111.59 1i1m n SER 715 Ca 0.48 0.03 -0.35 0.00 1.01 0.00 0.00 58.87 60.04 1i1m n SER 715 Cb 1.45 -4.52 -0.09 0.00 -1.01 0.00 0.00 64.21 60.05 1i1m n SER 715 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i1m s ALA 716 N -2.92 3.58 0.31 -0.43 0.00 -1.11 -4.87 121.76 116.32 1i1m s ALA 716 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 1i1m s ALA 716 Cb 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 23.12 20.98 1i1m s ALA 716 CO 0.00 0.21 1.25 -1.17 0.00 0.00 0.00 175.76 176.05 1i1m s LEU 717 N 0.22 4.46 -1.09 0.00 0.20 -1.26 -4.46 118.68 116.76 1i1m s LEU 717 Ca 0.07 2.56 -0.24 0.00 0.69 0.00 0.00 54.13 57.21 1i1m s LEU 717 Cb -0.12 -3.64 -0.13 0.00 -0.43 0.00 0.00 46.19 41.87 1i1m s LEU 717 CO -0.01 -0.42 1.95 -2.65 -0.29 0.00 0.00 176.35 174.93 1i1m n PRO 718 N 0.99 1.29 -1.82 0.98 -0.02 -1.26 -4.93 135.00 130.23 1i1m n PRO 718 Ca -0.00 -2.23 -0.41 0.00 -2.02 0.00 0.00 63.50 58.84 1i1m n PRO 718 Cb 0.43 -3.64 -0.00 0.00 -0.02 0.00 0.00 33.50 30.26 1i1m n PRO 718 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1i1m s GLY 719 N 6.66 2.87 0.18 -1.23 0.00 -1.26 -4.92 107.32 109.62 1i1m s GLY 719 Ca 0.69 1.56 0.11 0.00 0.00 0.00 0.00 44.72 47.08 1i1m s GLY 719 CO 0.15 2.27 1.30 -2.22 0.00 0.00 0.00 173.10 174.60 1i1m h ILE 720 N 3.02 1.22 -0.06 0.90 2.04 -1.98 -1.48 117.51 121.16 1i1m h ILE 720 Ca -0.50 -2.75 -0.25 0.00 1.00 0.00 0.00 64.86 62.36 1i1m h ILE 720 Cb 1.24 2.59 0.02 0.00 -0.74 0.00 0.00 36.82 39.92 1i1m h ILE 720 CO 0.66 0.69 -0.93 0.74 0.00 0.00 0.00 178.15 179.31 1i1m h THR 721 N 0.00 1.29 -0.48 -0.27 2.02 -1.91 -1.81 112.91 111.75 1i1m h THR 721 Ca -0.03 -2.15 0.05 0.00 0.77 0.00 0.00 66.41 65.05 1i1m h THR 721 Cb 1.59 2.22 -0.04 0.00 -1.74 0.00 0.00 68.15 70.17 1i1m h THR 721 CO 0.09 0.67 0.22 -0.09 0.37 0.00 0.00 175.52 176.78 1i1m h ARG 722 N 0.44 0.43 -0.37 6.66 2.43 -1.88 -0.17 114.38 121.92 1i1m h ARG 722 Ca -0.10 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 1i1m h ARG 722 Cb 1.57 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 1i1m h ARG 722 CO 0.18 0.28 -0.12 0.22 -1.51 0.00 0.00 179.97 179.02 1i1m h ASP 723 N 0.44 0.64 -0.31 -3.80 3.58 -1.20 -2.19 116.42 113.59 1i1m h ASP 723 Ca 0.21 -0.19 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 1i1m h ASP 723 Cb 0.15 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1i1m h ASP 723 CO -0.17 0.80 -0.13 0.00 -2.88 0.00 0.00 179.24 176.85 1i1m h ALA 724 N 1.27 0.43 -0.78 -0.78 0.00 -0.65 -2.59 119.26 116.16 1i1m h ALA 724 Ca 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1i1m h ALA 724 Cb 0.56 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1i1m h ALA 724 CO 0.04 0.31 0.39 0.82 0.00 0.00 0.00 179.25 180.81 1i1m h ILE 725 N 0.39 1.24 -0.78 0.00 2.04 -0.87 0.56 117.51 120.10 1i1m h ILE 725 Ca 0.07 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 1i1m h ILE 725 Cb 0.65 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1i1m h ILE 725 CO 0.04 0.28 0.34 0.40 0.00 0.00 0.00 178.15 179.21 1i1m h ILE 726 N 1.09 1.25 -0.11 -0.67 2.04 -1.34 0.50 117.51 120.28 1i1m h ILE 726 Ca 0.27 -0.75 -0.21 0.00 1.00 0.00 0.00 64.86 65.17 1i1m h ILE 726 Cb 0.09 0.29 0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1i1m h ILE 726 CO -0.04 0.31 -0.79 0.11 0.00 0.00 0.00 178.15 177.74 1i1m h LYS 727 N 1.12 0.62 -0.45 2.37 1.57 -1.03 -2.64 116.57 118.13 1i1m h LYS 727 Ca 0.26 -0.53 -0.09 0.00 -1.87 0.00 0.00 60.65 58.42 1i1m h LYS 727 Cb 0.16 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1i1m h LYS 727 CO -0.03 1.15 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.86 1i1m h LEU 728 N 0.42 0.84 -0.90 2.94 3.38 -0.66 -2.76 115.31 118.56 1i1m h LEU 728 Ca -0.05 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.61 1i1m h LEU 728 Cb 1.40 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1i1m h LEU 728 CO 0.15 0.99 0.58 0.00 0.09 0.00 0.00 178.44 180.25 1i1m h ALA 729 N 0.88 1.20 0.00 1.53 0.00 -0.88 -0.65 119.26 121.34 1i1m h ALA 729 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1i1m h ALA 729 Cb 0.60 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1i1m h ALA 729 CO 0.04 0.42 -0.29 0.87 0.00 0.00 0.00 179.25 180.29 1i1m h LYS 730 N 1.11 0.00 -0.01 0.00 1.57 -1.34 -0.20 116.57 117.70 1i1m h LYS 730 Ca 0.36 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.99 1i1m h LYS 730 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1i1m h LYS 730 CO -0.13 0.29 -0.72 0.93 -0.57 0.00 0.00 179.45 179.25 1i1m h GLU 731 N 0.00 0.05 -0.00 3.15 4.39 -0.86 -2.96 114.58 118.35 1i1m h GLU 731 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1i1m h GLU 731 Cb 0.55 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1i1m h GLU 731 CO 0.04 0.75 -0.04 1.28 -1.16 0.00 0.00 179.01 179.88 1i1m n LEU 732 N -3.71 0.33 -0.33 1.33 4.77 -0.68 -4.92 117.00 113.80 1i1m n LEU 732 Ca -0.01 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 1i1m n LEU 732 Cb 0.70 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1i1m n LEU 732 CO 0.44 0.06 -0.03 0.61 -1.33 0.00 0.00 177.39 177.14 1i1m n GLY 733 N 1.19 0.30 3.67 -0.72 0.00 -0.94 -5.04 105.19 103.65 1i1m n GLY 733 Ca 0.18 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1i1m n GLY 733 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1m s ILE 734 N -2.19 5.02 0.17 -0.61 1.01 -0.14 -5.03 121.20 119.43 1i1m s ILE 734 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1i1m s ILE 734 Cb -0.00 -3.27 -0.08 0.00 0.01 0.00 0.00 42.46 39.12 1i1m s ILE 734 CO 0.01 0.45 1.22 -0.70 0.00 0.00 0.00 174.94 175.92 1i1m s GLU 735 N 0.38 4.46 -0.08 2.79 2.12 -1.26 -4.13 118.70 122.97 1i1m s GLU 735 Ca 0.05 1.89 0.04 0.00 0.36 0.00 0.00 54.97 57.31 1i1m s GLU 735 Cb -0.12 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 1i1m s GLU 735 CO -0.01 -0.15 -0.20 0.08 -0.54 0.00 0.00 175.26 174.45 1i1m s VAL 736 N 0.19 2.52 -0.13 3.70 1.01 -1.26 -0.85 120.40 125.57 1i1m s VAL 736 Ca 0.55 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1i1m s VAL 736 Cb -0.33 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1i1m s VAL 736 CO 0.35 0.56 -0.08 -0.13 0.00 0.00 0.00 175.10 175.81 1i1m s ARG 737 N -0.03 1.59 -0.51 2.72 0.52 0.76 -4.96 118.95 119.03 1i1m s ARG 737 Ca -0.06 -0.38 -0.16 0.00 -0.52 0.00 0.00 55.73 54.62 1i1m s ARG 737 Cb -0.15 -1.79 0.10 0.00 0.52 0.00 0.00 34.95 33.64 1i1m s ARG 737 CO 0.05 -0.32 0.45 -2.00 0.02 0.00 0.00 175.30 173.50 1i1m s GLU 738 N 1.66 2.99 0.18 3.54 2.12 -1.26 -2.04 118.70 125.88 1i1m s GLU 738 Ca 0.04 -1.52 -0.12 0.00 0.36 0.00 0.00 54.97 53.73 1i1m s GLU 738 Cb -0.13 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 30.04 1i1m s GLU 738 CO -0.08 -1.18 0.37 1.14 -0.54 0.00 0.00 175.26 174.97 1i1m s GLN 739 N 1.63 1.26 0.27 4.30 -2.07 -0.56 -4.79 119.66 119.71 1i1m s GLN 739 Ca 0.04 -1.09 -0.29 0.00 -1.82 0.00 0.00 55.36 52.19 1i1m s GLN 739 Cb -0.27 0.43 -0.10 0.00 -1.09 0.00 0.00 33.01 31.98 1i1m s GLN 739 CO 0.05 -0.49 1.32 0.08 -1.32 0.00 0.00 175.29 174.93 1i1m s VAL 740 N -3.94 2.91 -0.04 3.63 1.01 -1.26 -3.72 120.40 118.99 1i1m s VAL 740 Ca 0.15 0.83 0.06 0.00 0.00 0.00 0.00 61.98 63.03 1i1m s VAL 740 Cb 0.02 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1i1m s VAL 740 CO 0.00 0.16 -0.23 -0.76 0.00 0.00 0.00 175.10 174.27 1i1m s LEU 741 N -0.96 2.03 0.66 3.92 1.43 -1.26 -5.03 118.68 119.47 1i1m s LEU 741 Ca 0.53 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 1i1m s LEU 741 Cb -0.39 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1i1m s LEU 741 CO 0.46 0.26 1.03 -0.94 0.23 0.00 0.00 176.35 177.38 1i1m s SER 742 N -0.33 5.62 0.18 2.29 1.04 -1.26 -1.20 113.70 120.04 1i1m s SER 742 Ca 0.03 1.07 -0.12 0.00 0.48 0.00 0.00 55.95 57.41 1i1m s SER 742 Cb -0.11 -1.97 0.08 0.00 0.10 0.00 0.00 66.02 64.12 1i1m s SER 742 CO 0.01 -1.18 1.77 -0.09 0.98 0.00 0.00 173.24 174.73 1i1m h ARG 743 N -0.47 0.86 -0.14 4.02 2.43 -1.93 -2.79 114.38 116.35 1i1m h ARG 743 Ca -0.45 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 58.65 1i1m h ARG 743 Cb 1.24 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1i1m h ARG 743 CO 0.63 0.68 0.12 0.93 -1.51 0.00 0.00 179.97 180.81 1i1m h GLU 744 N 0.82 0.00 -0.25 0.20 3.07 -1.95 -2.47 114.58 113.99 1i1m h GLU 744 Ca 0.21 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.14 1i1m h GLU 744 Cb 0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1i1m h GLU 744 CO -0.03 0.00 0.27 0.66 -1.40 0.00 0.00 179.01 178.51 1i1m h SER 745 N 0.00 0.00 0.58 1.42 4.64 -1.88 -0.34 113.55 117.97 1i1m h SER 745 Ca 0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1i1m h SER 745 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1i1m h SER 745 CO -0.00 0.00 -0.26 -0.07 -0.87 0.00 0.00 176.83 175.63 1i1m h LEU 746 N 0.00 0.00 0.00 5.97 3.38 -1.62 -1.35 115.31 121.69 1i1m h LEU 746 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1i1m h LEU 746 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1i1m h LEU 746 CO -0.00 0.26 -1.10 -1.22 0.09 0.00 0.00 178.44 176.47 1i1m n TYR 747 N -3.68 0.98 1.00 1.13 0.53 -0.15 -4.14 117.16 112.83 1i1m n TYR 747 Ca -0.01 0.30 0.10 0.00 -1.02 0.00 0.00 57.90 57.27 1i1m n TYR 747 Cb 0.38 -0.99 -0.06 0.00 -1.03 0.00 0.00 39.34 37.64 1i1m n TYR 747 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1i1m n LEU 748 N -2.73 0.97 -4.78 7.72 4.77 -1.07 -4.94 117.00 116.95 1i1m n LEU 748 Ca -0.02 -0.44 -0.37 0.00 -0.03 0.00 0.00 56.01 55.15 1i1m n LEU 748 Cb 0.62 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1i1m n LEU 748 CO 0.41 0.24 0.76 0.00 -1.33 0.00 0.00 177.39 177.46 1i1m s ALA 749 N -2.97 3.11 0.19 -1.18 0.00 -0.53 -4.96 121.76 115.42 1i1m s ALA 749 Ca 0.09 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.78 1i1m s ALA 749 Cb 0.16 -3.30 0.12 0.00 0.00 0.00 0.00 23.12 20.11 1i1m s ALA 749 CO 0.83 -0.28 1.51 -0.44 0.00 0.00 0.00 175.76 177.38 1i1m h ASP 750 N 2.57 0.59 -5.14 0.00 3.32 -1.21 -3.37 116.42 113.17 1i1m h ASP 750 Ca -0.48 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.15 1i1m h ASP 750 Cb 1.22 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 1i1m h ASP 750 CO 0.62 1.03 -0.40 -1.61 -1.72 0.00 0.00 179.24 177.16 1i1m s GLU 751 N -3.98 0.79 -0.20 3.56 2.02 -0.88 -3.86 118.70 116.15 1i1m s GLU 751 Ca -0.07 -0.90 -0.14 0.00 0.02 0.00 0.00 54.97 53.88 1i1m s GLU 751 Cb 0.11 0.32 0.06 0.00 0.10 0.00 0.00 34.13 34.72 1i1m s GLU 751 CO 0.84 -0.24 0.50 0.54 0.02 0.00 0.00 175.26 176.92 1i1m s VAL 752 N -3.54 -0.01 0.14 2.63 0.11 -1.26 -0.39 120.40 118.08 1i1m s VAL 752 Ca 0.03 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 1i1m s VAL 752 Cb 0.04 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1i1m s VAL 752 CO -0.09 0.01 0.24 0.72 -3.33 0.00 0.00 175.10 172.65 1i1m s PHE 753 N 0.92 0.35 0.13 1.54 -0.71 -0.52 -0.61 117.98 119.07 1i1m s PHE 753 Ca -0.05 -0.73 0.09 0.00 -1.04 0.00 0.00 56.93 55.19 1i1m s PHE 753 Cb -0.06 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1i1m s PHE 753 CO -0.08 -0.65 -0.15 -1.64 -1.34 0.00 0.00 175.22 171.36 1i1m s MET 754 N -3.94 1.91 0.07 1.99 -1.94 0.30 -0.80 119.30 116.90 1i1m s MET 754 Ca 0.14 -1.18 0.04 0.00 -1.71 0.00 0.00 55.69 52.99 1i1m s MET 754 Cb 0.04 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.69 1i1m s MET 754 CO -0.03 0.47 -0.13 -1.54 -0.01 0.00 0.00 175.02 173.78 1i1m s SER 755 N -2.33 1.53 0.00 3.03 1.04 -0.29 -1.37 113.70 115.30 1i1m s SER 755 Ca 0.20 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1i1m s SER 755 Cb -0.10 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1i1m s SER 755 CO 0.12 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1i1m n GLY 756 N 1.18 0.71 0.19 7.32 0.00 -0.67 -0.36 105.19 113.55 1i1m n GLY 756 Ca -0.21 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 1i1m n GLY 756 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i1m h THR 757 N 0.16 0.75 -0.29 2.61 2.02 -1.88 0.58 112.91 116.86 1i1m h THR 757 Ca 0.00 -0.41 -0.17 0.00 0.77 0.00 0.00 66.41 66.60 1i1m h THR 757 Cb 0.00 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1i1m h THR 757 CO 0.00 0.09 -0.50 0.00 0.37 0.00 0.00 175.52 175.47 1i1m h ALA 758 N 0.04 0.56 0.00 6.16 0.00 -1.93 -3.18 119.26 120.91 1i1m h ALA 758 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1i1m h ALA 758 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1i1m h ALA 758 CO 0.06 0.68 -0.33 0.00 0.00 0.00 0.00 179.25 179.67 1i1m n ALA 759 N -2.55 2.81 -0.64 0.00 0.00 -1.23 -2.94 120.51 115.95 1i1m n ALA 759 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1i1m n ALA 759 Cb 0.60 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1i1m n ALA 759 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1i1m n GLU 760 N -1.86 0.00 -3.84 0.00 1.02 0.20 -3.67 120.64 112.49 1i1m n GLU 760 Ca 0.05 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.89 1i1m n GLU 760 Cb 0.39 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.67 1i1m n GLU 760 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i1m s ILE 761 N 0.00 1.64 -0.24 -3.67 1.01 -1.26 -1.67 121.20 117.01 1i1m s ILE 761 Ca 0.00 -2.22 -0.09 0.00 0.00 0.00 0.00 60.65 58.34 1i1m s ILE 761 Cb 0.00 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1i1m s ILE 761 CO 0.00 -0.73 0.11 -0.89 0.00 0.00 0.00 174.94 173.44 1i1m s THR 762 N 0.83 4.85 0.48 2.92 2.01 -0.47 -4.79 115.64 121.47 1i1m s THR 762 Ca 0.13 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.93 1i1m s THR 762 Cb -0.21 -3.26 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 1i1m s THR 762 CO -0.10 0.35 1.05 -2.84 -0.69 0.00 0.00 174.62 172.39 1i1m s PRO 763 N 1.26 3.78 -0.31 4.92 0.02 -1.26 -0.54 135.00 142.88 1i1m s PRO 763 Ca 0.06 1.41 -0.03 0.00 0.02 0.00 0.00 61.00 62.46 1i1m s PRO 763 Cb -0.14 -2.13 0.05 0.00 0.02 0.00 0.00 34.50 32.29 1i1m s PRO 763 CO 0.05 -0.46 0.02 0.08 -0.33 0.00 0.00 177.00 176.37 1i1m s VAL 764 N -1.91 3.17 -0.60 3.83 1.01 0.21 -0.98 120.40 125.13 1i1m s VAL 764 Ca 0.67 -1.32 0.25 0.00 0.00 0.00 0.00 61.98 61.57 1i1m s VAL 764 Cb -0.18 -2.82 0.22 0.00 0.00 0.00 0.00 36.38 33.60 1i1m s VAL 764 CO 0.22 -0.12 1.57 0.08 0.00 0.00 0.00 175.10 176.85 1i1m h ARG 765 N 8.05 0.00 -1.96 2.72 0.11 -1.27 -3.39 114.38 118.63 1i1m h ARG 765 Ca -0.22 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.82 1i1m h ARG 765 Cb 1.07 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 31.95 1i1m h ARG 765 CO 0.55 0.00 0.21 -1.54 0.10 0.00 0.00 179.97 179.29 1i1m s SER 766 N -4.92 -0.64 -0.09 0.08 1.04 -1.21 -0.82 113.70 107.14 1i1m s SER 766 Ca 0.08 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1i1m s SER 766 Cb 0.11 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.83 1i1m s SER 766 CO 0.66 -0.57 -0.07 -0.69 0.98 0.00 0.00 173.24 173.55 1i1m s VAL 767 N -1.08 0.88 -1.66 5.02 1.01 -0.38 -0.84 120.40 123.36 1i1m s VAL 767 Ca -0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 1i1m s VAL 767 Cb -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1i1m s VAL 767 CO 0.09 0.33 0.01 0.47 0.00 0.00 0.00 175.10 176.00 1i1m n ASP 768 N 4.66 -5.58 0.00 3.32 8.00 -0.06 -1.19 116.55 125.70 1i1m n ASP 768 Ca -0.15 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1i1m n ASP 768 Cb 0.50 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.95 1i1m n ASP 768 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1m n GLY 769 N -0.99 1.69 3.58 0.44 0.00 -1.26 -5.01 105.19 103.65 1i1m n GLY 769 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1i1m n GLY 769 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1m s ILE 770 N -2.83 5.14 0.35 -0.61 1.01 -0.33 -5.05 121.20 118.88 1i1m s ILE 770 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 60.65 60.79 1i1m s ILE 770 Cb 0.00 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.58 1i1m s ILE 770 CO 0.00 0.03 1.43 -1.58 0.00 0.00 0.00 174.94 174.81 1i1m s GLN 771 N 2.13 4.20 -0.33 2.79 0.74 -1.26 -1.25 119.66 126.68 1i1m s GLN 771 Ca 0.15 2.44 -0.15 0.00 0.05 0.00 0.00 55.36 57.85 1i1m s GLN 771 Cb -0.16 -3.01 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 1i1m s GLN 771 CO 0.11 -0.41 0.37 0.08 -0.55 0.00 0.00 175.29 174.89 1i1m s VAL 772 N -1.04 5.16 0.00 1.34 1.01 0.00 -4.89 120.40 121.99 1i1m s VAL 772 Ca 0.52 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1i1m s VAL 772 Cb -0.44 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1i1m s VAL 772 CO 0.58 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1i1m n GLY 773 N 4.90 3.69 0.30 4.51 0.00 -1.25 -1.00 105.19 116.33 1i1m n GLY 773 Ca -0.09 0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.29 1i1m n GLY 773 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i1m n GLU 774 N 12.70 1.21 -1.06 1.61 4.07 -1.26 -4.92 120.64 132.99 1i1m n GLU 774 Ca 0.00 -0.59 -0.02 0.00 -0.06 0.00 0.00 57.16 56.49 1i1m n GLU 774 Cb 0.00 -1.49 -0.01 0.00 -0.06 0.00 0.00 31.44 29.88 1i1m n GLU 774 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1i1m n GLY 775 N 1.21 0.54 3.44 8.31 0.00 -0.17 -5.00 105.19 113.52 1i1m n GLY 775 Ca 0.17 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1i1m n GLY 775 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i1m s ARG 776 N -1.33 1.82 0.15 1.61 0.52 -1.26 -4.85 118.95 115.61 1i1m s ARG 776 Ca 0.00 -2.09 -0.31 0.00 -0.52 0.00 0.00 55.73 52.81 1i1m s ARG 776 Cb 0.00 -0.36 -0.10 0.00 0.52 0.00 0.00 34.95 35.01 1i1m s ARG 776 CO 0.00 -0.49 1.58 0.00 0.02 0.00 0.00 175.30 176.41 1i1m s GLY 778 N 1.30 1.63 0.17 0.00 0.00 -1.26 -4.89 107.32 104.26 1i1m s GLY 778 Ca 0.70 -0.22 -0.15 0.00 0.00 0.00 0.00 44.72 45.05 1i1m s GLY 778 CO 0.31 0.17 1.82 -0.56 0.00 0.00 0.00 173.10 174.84 1i1m h PRO 779 N -0.88 0.58 -0.39 2.90 0.13 -1.96 -0.84 132.00 131.54 1i1m h PRO 779 Ca -0.46 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 1i1m h PRO 779 Cb 1.25 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1i1m h PRO 779 CO 0.61 0.38 -0.37 0.28 -0.23 0.00 0.00 178.00 178.67 1i1m h VAL 780 N 0.60 1.27 -0.83 1.56 2.07 -1.99 -1.50 116.25 117.42 1i1m h VAL 780 Ca 0.18 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1i1m h VAL 780 Cb -0.03 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1i1m h VAL 780 CO -0.06 0.52 0.46 0.74 0.02 0.00 0.00 177.57 179.25 1i1m h THR 781 N 0.75 1.24 0.11 2.57 2.02 -1.91 -1.76 112.91 115.93 1i1m h THR 781 Ca 0.07 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1i1m h THR 781 Cb 0.96 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1i1m h THR 781 CO 0.09 0.27 -0.05 0.11 0.37 0.00 0.00 175.52 176.31 1i1m h LYS 782 N 1.15 -0.14 -0.68 6.66 1.79 -0.96 0.12 116.57 124.51 1i1m h LYS 782 Ca 0.29 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.88 1i1m h LYS 782 Cb 0.02 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.62 1i1m h LYS 782 CO -0.05 -0.05 0.28 0.00 -1.08 0.00 0.00 179.45 178.56 1i1m h ARG 783 N -0.20 0.45 -0.54 3.15 3.08 -0.93 -0.07 114.38 119.32 1i1m h ARG 783 Ca -0.02 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1i1m h ARG 783 Cb 0.16 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1i1m h ARG 783 CO 0.02 0.30 0.07 0.82 -1.07 0.00 0.00 179.97 180.11 1i1m h ILE 784 N 0.47 1.26 -0.26 2.04 2.04 -1.02 -1.24 117.51 120.79 1i1m h ILE 784 Ca 0.35 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1i1m h ILE 784 Cb 0.45 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1i1m h ILE 784 CO -0.33 0.36 0.12 1.56 0.00 0.00 0.00 178.15 179.87 1i1m h GLN 785 N 0.80 0.37 -0.57 2.37 4.20 -0.08 -0.11 115.11 122.09 1i1m h GLN 785 Ca 0.16 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.86 1i1m h GLN 785 Cb 0.44 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 1i1m h GLN 785 CO 0.01 0.37 0.31 1.96 -0.67 0.00 0.00 178.83 180.81 1i1m h GLN 786 N 0.28 0.58 -0.32 1.46 4.20 -0.88 -0.22 115.11 120.20 1i1m h GLN 786 Ca 0.09 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1i1m h GLN 786 Cb 0.12 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1i1m h GLN 786 CO -0.01 0.38 -0.21 0.00 -0.67 0.00 0.00 178.83 178.32 1i1m h ALA 787 N 1.29 1.04 0.28 3.87 0.00 -0.98 -0.68 119.26 124.09 1i1m h ALA 787 Ca 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1i1m h ALA 787 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1i1m h ALA 787 CO -0.15 0.58 -0.13 0.35 0.00 0.00 0.00 179.25 179.89 1i1m h PHE 788 N 0.54 -0.35 0.00 0.00 3.57 -0.43 -3.17 116.94 117.10 1i1m h PHE 788 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1i1m h PHE 788 Cb 0.65 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1i1m h PHE 788 CO 0.03 0.01 0.00 0.74 -2.23 0.00 0.00 178.31 176.86 1i1m h PHE 789 N -0.85 0.00 0.00 0.41 0.04 -1.10 -2.64 116.94 112.80 1i1m h PHE 789 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1i1m h PHE 789 Cb 0.51 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 1i1m h PHE 789 CO 0.04 0.00 -0.05 0.78 -0.60 0.00 0.00 178.31 178.49 1i1m h GLY 790 N 2.18 0.00 2.00 -1.45 0.00 -1.09 -2.43 103.07 102.29 1i1m h GLY 790 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1i1m h GLY 790 CO 0.00 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.81 1i1m h LEU 791 N 0.00 0.00 -0.99 3.11 3.38 -1.53 -0.20 115.31 119.08 1i1m h LEU 791 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i1m h LEU 791 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1i1m h LEU 791 CO 0.01 0.14 -0.09 0.49 0.09 0.00 0.00 178.44 179.08 1i1m n PHE 792 N -4.25 0.00 -0.01 1.13 3.01 -0.91 -3.86 117.46 112.56 1i1m n PHE 792 Ca -0.02 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.46 1i1m n PHE 792 Cb 0.21 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 39.58 1i1m n PHE 792 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1i1m n THR 793 N 0.14 0.13 0.00 4.37 -1.04 -0.85 -2.47 114.28 114.57 1i1m n THR 793 Ca 0.16 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1i1m n THR 793 Cb 0.40 0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1i1m n THR 793 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i1m n GLY 794 N 2.09 0.22 0.27 3.41 0.00 -0.16 -4.76 105.19 106.26 1i1m n GLY 794 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 1i1m n GLY 794 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i1m h GLU 795 N 4.09 0.67 -5.04 1.61 5.08 -1.70 -3.40 114.58 115.89 1i1m h GLU 795 Ca 0.00 -0.21 -0.63 0.00 -1.00 0.00 0.00 59.36 57.52 1i1m h GLU 795 Cb 0.00 -0.06 -0.17 0.00 0.50 0.00 0.00 28.75 29.02 1i1m h GLU 795 CO 0.00 0.77 -0.54 0.99 -1.00 0.00 0.00 179.01 179.22 1i1m s THR 796 N -4.77 5.02 0.09 1.13 2.01 -0.90 -4.99 115.64 113.24 1i1m s THR 796 Ca -0.08 0.06 -0.31 0.00 0.31 0.00 0.00 61.69 61.67 1i1m s THR 796 Cb 0.14 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 1i1m s THR 796 CO 0.80 0.34 1.25 -0.70 -0.69 0.00 0.00 174.62 175.62 1i1m s GLU 797 N 1.23 4.41 -1.24 4.92 2.12 -1.26 -4.32 118.70 124.56 1i1m s GLU 797 Ca 0.06 1.86 -0.19 0.00 0.36 0.00 0.00 54.97 57.07 1i1m s GLU 797 Cb -0.14 -3.31 0.07 0.00 0.26 0.00 0.00 34.13 31.01 1i1m s GLU 797 CO 0.05 -0.29 1.66 0.34 -0.54 0.00 0.00 175.26 176.49 1i1m s ASP 798 N 0.98 6.78 0.24 -1.70 2.15 -1.26 -4.77 116.67 119.09 1i1m s ASP 798 Ca 0.60 -2.27 0.25 0.00 0.43 0.00 0.00 52.55 51.56 1i1m s ASP 798 Cb -0.32 -2.57 0.88 0.00 -0.30 0.00 0.00 42.92 40.62 1i1m s ASP 798 CO 0.30 -1.22 1.75 0.29 -0.17 0.00 0.00 175.17 176.13 1i1m n LYS 799 N 8.35 0.24 0.00 4.34 5.02 -1.26 -3.63 118.16 131.23 1i1m n LYS 799 Ca 0.45 0.30 0.07 0.00 -2.02 0.00 0.00 58.31 57.11 1i1m n LYS 799 Cb 0.47 -1.84 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1i1m n LYS 799 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1i1m n TRP 800 N -2.27 0.00 -2.54 2.13 8.01 -1.26 -5.00 117.44 116.51 1i1m n TRP 800 Ca 0.04 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.19 1i1m n TRP 800 Cb 0.35 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.67 1i1m n TRP 800 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1i1m n GLY 801 N 1.17 0.45 0.13 6.99 0.00 -1.24 -4.96 105.19 107.73 1i1m n GLY 801 Ca 0.05 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.78 1i1m n GLY 801 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1i1m h TRP 802 N -0.52 0.00 -3.64 1.61 6.55 -1.95 -3.45 115.95 114.56 1i1m h TRP 802 Ca -0.13 0.00 -0.66 0.00 0.95 0.00 0.00 58.89 59.05 1i1m h TRP 802 Cb 1.08 0.00 -0.17 0.00 -0.86 0.00 0.00 29.16 29.21 1i1m h TRP 802 CO 0.10 0.00 -0.22 -0.51 -1.05 0.00 0.00 178.44 176.77 1i1m s LEU 803 N -5.17 4.43 -0.31 -4.49 1.43 -1.26 0.07 118.68 113.38 1i1m s LEU 803 Ca 0.06 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1i1m s LEU 803 Cb 0.10 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.92 1i1m s LEU 803 CO 0.69 -0.39 0.11 -0.62 0.23 0.00 0.00 176.35 176.38 1i1m s ASP 804 N 1.74 5.29 0.14 2.29 2.15 -0.82 -4.94 116.67 122.53 1i1m s ASP 804 Ca 0.14 -0.74 -0.31 0.00 0.43 0.00 0.00 52.55 52.07 1i1m s ASP 804 Cb -0.16 -1.92 -0.09 0.00 -0.30 0.00 0.00 42.92 40.45 1i1m s ASP 804 CO 0.12 -0.22 1.43 -1.10 -0.17 0.00 0.00 175.17 175.23 1i1m s GLN 805 N 1.52 4.30 0.11 4.34 -0.21 -1.26 -0.75 119.66 127.70 1i1m s GLN 805 Ca 0.03 2.15 -0.05 0.00 0.02 0.00 0.00 55.36 57.51 1i1m s GLN 805 Cb -0.18 -3.21 -0.18 0.00 1.00 0.00 0.00 33.01 30.44 1i1m s GLN 805 CO 0.04 -0.47 1.23 0.28 -2.12 0.00 0.00 175.29 174.25 1i1m h VAL 806 N 4.13 1.43 0.00 1.09 2.07 -1.89 -3.47 116.25 119.61 1i1m h VAL 806 Ca -0.43 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 64.40 1i1m h VAL 806 Cb 1.21 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1i1m h VAL 806 CO 0.87 0.80 0.00 0.59 0.02 0.00 0.00 177.57 179.84