#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijk n PRO 503 N 0.00 0.00 0.23 0.54 -0.04 -1.26 -4.84 135.00 129.62 1ijk n PRO 503 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1ijk n PRO 503 Cb 0.00 -1.18 0.54 0.00 -0.04 0.00 0.00 33.50 32.82 1ijk n PRO 503 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ijk h LEU 504 N 5.72 0.00 -9.33 1.53 3.38 -1.91 -3.46 115.31 111.24 1ijk h LEU 504 Ca -0.19 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.26 1ijk h LEU 504 Cb 1.10 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 1ijk h LEU 504 CO 0.82 0.23 -0.54 -1.00 0.09 0.00 0.00 178.44 178.04 1ijk s HIS 505 N -4.16 1.79 -0.12 1.13 3.76 -1.26 -5.03 115.29 111.40 1ijk s HIS 505 Ca -0.02 -1.23 0.28 0.00 -0.15 0.00 0.00 55.06 53.93 1ijk s HIS 505 Cb 0.13 -1.14 1.32 0.00 1.11 0.00 0.00 32.58 34.00 1ijk s HIS 505 CO 0.65 -0.27 1.85 -0.44 -0.85 0.00 0.00 174.74 175.68 1ijk h ASP 506 N 1.91 0.00 -3.33 1.40 3.45 -1.96 -3.40 116.42 114.49 1ijk h ASP 506 Ca -0.36 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.46 1ijk h ASP 506 Cb 1.26 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.83 1ijk h ASP 506 CO 0.59 0.00 -0.65 0.12 -1.57 0.00 0.00 179.24 177.73 1ijk s PHE 507 N -3.57 3.06 -0.41 4.55 2.19 -1.26 -5.03 117.98 117.50 1ijk s PHE 507 Ca 0.00 -0.26 0.04 0.00 0.33 0.00 0.00 56.93 57.04 1ijk s PHE 507 Cb 0.09 -2.00 0.17 0.00 -1.31 0.00 0.00 43.02 39.97 1ijk s PHE 507 CO 0.37 -0.04 0.41 -0.47 1.83 0.00 0.00 175.22 177.32 1ijk s TYR 508 N 0.48 0.21 -0.54 10.12 5.04 -1.26 -4.52 117.35 126.88 1ijk s TYR 508 Ca -0.02 -1.56 -0.28 0.00 -2.44 0.00 0.00 57.07 52.77 1ijk s TYR 508 Cb -0.14 -0.56 -0.10 0.00 0.35 0.00 0.00 41.96 41.52 1ijk s TYR 508 CO 0.02 -0.95 2.43 0.00 -1.34 0.00 0.00 175.55 175.72 1ijk n SER 510 N 14.32 6.63 -4.75 0.00 2.88 -1.26 -1.87 113.62 129.56 1ijk n SER 510 Ca 0.41 -3.65 -0.33 0.00 -1.33 0.00 0.00 58.87 53.97 1ijk n SER 510 Cb 0.44 -1.05 -0.08 0.00 -0.75 0.00 0.00 64.21 62.76 1ijk n SER 510 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ijk s ARG 511 N -3.96 2.18 -0.56 -1.46 0.52 -1.26 -4.98 118.95 109.43 1ijk s ARG 511 Ca 0.40 -2.38 -0.22 0.00 -0.52 0.00 0.00 55.73 53.02 1ijk s ARG 511 Cb 0.19 -1.54 0.06 0.00 0.52 0.00 0.00 34.95 34.17 1ijk s ARG 511 CO -0.10 -0.34 0.81 -0.51 0.02 0.00 0.00 175.30 175.19 1ijk s LEU 512 N -3.87 4.60 -0.10 2.53 1.43 -1.16 -2.83 118.68 119.27 1ijk s LEU 512 Ca 0.08 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.25 1ijk s LEU 512 Cb 0.02 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.72 1ijk s LEU 512 CO 0.04 -1.15 0.35 -0.22 0.23 0.00 0.00 176.35 175.60 1ijk s LEU 513 N 3.39 0.68 -0.38 1.79 2.96 -0.93 -1.87 118.68 124.33 1ijk s LEU 513 Ca 0.21 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.66 1ijk s LEU 513 Cb -0.17 1.24 0.09 0.00 0.50 0.00 0.00 46.19 47.85 1ijk s LEU 513 CO 0.13 -0.20 0.15 -1.81 -1.32 0.00 0.00 176.35 173.30 1ijk s ASP 514 N -0.18 5.18 -0.23 3.68 1.01 0.14 0.25 116.67 126.51 1ijk s ASP 514 Ca -0.03 -1.77 -0.08 0.00 0.71 0.00 0.00 52.55 51.38 1ijk s ASP 514 Cb -0.03 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 42.06 1ijk s ASP 514 CO 0.01 -0.46 0.08 -0.22 0.21 0.00 0.00 175.17 174.79 1ijk s LEU 515 N 1.19 3.61 -0.32 1.23 2.96 0.23 0.07 118.68 127.65 1ijk s LEU 515 Ca 0.04 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1ijk s LEU 515 Cb -0.22 -1.95 0.05 0.00 0.50 0.00 0.00 46.19 44.57 1ijk s LEU 515 CO -0.03 0.03 0.05 -0.69 -1.32 0.00 0.00 176.35 174.39 1ijk s VAL 516 N 1.23 3.32 -0.24 1.68 1.01 0.17 -2.05 120.40 125.51 1ijk s VAL 516 Ca 0.05 -1.30 -0.28 0.00 0.00 0.00 0.00 61.98 60.45 1ijk s VAL 516 Cb -0.14 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1ijk s VAL 516 CO 0.04 -0.15 1.00 -0.36 0.00 0.00 0.00 175.10 175.63 1ijk s PHE 517 N 1.31 3.31 -0.28 5.22 0.08 0.16 0.04 117.98 127.83 1ijk s PHE 517 Ca -0.03 1.38 -0.01 0.00 0.12 0.00 0.00 56.93 58.38 1ijk s PHE 517 Cb -0.20 -3.27 0.04 0.00 -0.57 0.00 0.00 43.02 39.02 1ijk s PHE 517 CO 0.00 -0.50 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.09 1ijk s LEU 518 N 3.18 3.64 -0.19 -0.37 1.43 0.06 -0.37 118.68 126.06 1ijk s LEU 518 Ca 0.42 -1.16 -0.06 0.00 -1.03 0.00 0.00 54.13 52.29 1ijk s LEU 518 Cb -0.15 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1ijk s LEU 518 CO 0.07 -0.21 0.04 -0.76 0.23 0.00 0.00 176.35 175.72 1ijk s LEU 519 N 1.26 3.62 0.14 1.79 1.02 0.22 -0.86 118.68 125.86 1ijk s LEU 519 Ca -0.04 -0.02 -0.32 0.00 0.02 0.00 0.00 54.13 53.77 1ijk s LEU 519 Cb -0.19 -1.91 -0.12 0.00 0.02 0.00 0.00 46.19 43.99 1ijk s LEU 519 CO -0.02 0.14 1.76 -0.67 0.02 0.00 0.00 176.35 177.58 1ijk n ASP 520 N 3.75 3.80 -0.80 2.29 -0.08 -0.95 -0.73 116.55 123.82 1ijk n ASP 520 Ca -0.17 1.02 0.07 0.00 -1.51 0.00 0.00 54.79 54.21 1ijk n ASP 520 Cb 0.52 -1.52 0.20 0.00 2.34 0.00 0.00 41.12 42.66 1ijk n ASP 520 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ijk n GLY 521 N 4.02 2.89 3.83 0.27 0.00 0.11 -4.81 105.19 111.50 1ijk n GLY 521 Ca 0.18 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1ijk n GLY 521 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ijk s SER 522 N -1.11 5.37 0.00 1.61 1.04 -1.26 -0.91 113.70 118.43 1ijk s SER 522 Ca 0.30 1.50 0.13 0.00 0.48 0.00 0.00 55.95 58.37 1ijk s SER 522 Cb 0.17 -2.38 0.61 0.00 0.10 0.00 0.00 66.02 64.52 1ijk s SER 522 CO 0.17 -1.44 1.41 -1.54 0.98 0.00 0.00 173.24 172.82 1ijk n SER 523 N -3.12 0.00 0.30 7.02 3.41 0.24 -2.72 113.62 118.76 1ijk n SER 523 Ca 0.07 0.37 0.17 0.00 -0.26 0.00 0.00 58.87 59.22 1ijk n SER 523 Cb 0.54 -0.43 0.87 0.00 -0.26 0.00 0.00 64.21 64.93 1ijk n SER 523 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ijk h ARG 524 N 0.00 0.00 -5.29 4.33 2.47 -1.89 -3.34 114.38 110.66 1ijk h ARG 524 Ca 0.00 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.06 1ijk h ARG 524 Cb 0.20 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 28.24 1ijk h ARG 524 CO 0.00 0.00 -0.77 -0.51 0.56 0.00 0.00 179.97 179.25 1ijk s LEU 525 N -6.10 2.67 0.00 3.04 1.43 -1.10 -5.02 118.68 113.60 1ijk s LEU 525 Ca -0.04 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 1ijk s LEU 525 Cb 0.10 -1.60 0.27 0.00 0.03 0.00 0.00 46.19 44.99 1ijk s LEU 525 CO 0.34 0.15 1.06 -1.54 0.23 0.00 0.00 176.35 176.58 1ijk n SER 526 N 3.65 -1.69 0.08 2.29 3.41 -1.26 -4.71 113.62 115.39 1ijk n SER 526 Ca -0.18 -1.18 -0.03 0.00 -0.26 0.00 0.00 58.87 57.22 1ijk n SER 526 Cb 0.52 -0.94 0.20 0.00 -0.26 0.00 0.00 64.21 63.74 1ijk n SER 526 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1ijk h GLU 527 N 0.00 0.28 -0.06 4.33 4.81 -1.97 -1.12 114.58 120.85 1ijk h GLU 527 Ca -0.39 -0.14 -0.24 0.00 -0.13 0.00 0.00 59.36 58.47 1ijk h GLU 527 Cb 1.16 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.56 1ijk h GLU 527 CO 0.26 0.66 -0.89 0.00 -0.73 0.00 0.00 179.01 178.30 1ijk h ALA 528 N 1.33 0.18 -0.32 2.92 0.00 -2.00 -3.07 119.26 118.30 1ijk h ALA 528 Ca 0.02 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1ijk h ALA 528 Cb 0.84 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ijk h ALA 528 CO 0.07 0.64 -0.21 0.93 0.00 0.00 0.00 179.25 180.67 1ijk h GLU 529 N 0.39 0.61 0.00 0.00 5.08 -1.88 -1.04 114.58 117.74 1ijk h GLU 529 Ca -0.10 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1ijk h GLU 529 Cb 1.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1ijk h GLU 529 CO 0.18 0.78 0.00 0.35 -1.00 0.00 0.00 179.01 179.32 1ijk h PHE 530 N 0.54 0.00 -0.02 4.33 3.57 -1.22 -2.27 116.94 121.87 1ijk h PHE 530 Ca 0.08 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.37 1ijk h PHE 530 Cb 0.66 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.42 1ijk h PHE 530 CO 0.03 0.00 -0.81 0.93 -2.23 0.00 0.00 178.31 176.23 1ijk h GLU 531 N 0.00 0.58 -0.47 1.11 4.39 -1.09 -2.24 114.58 116.86 1ijk h GLU 531 Ca 0.00 -0.60 -0.02 0.00 0.34 0.00 0.00 59.36 59.08 1ijk h GLU 531 Cb 0.25 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1ijk h GLU 531 CO 0.00 1.22 0.22 0.28 -1.16 0.00 0.00 179.01 179.57 1ijk h VAL 532 N 0.19 1.19 -0.43 3.13 2.07 -1.27 -0.26 116.25 120.88 1ijk h VAL 532 Ca -0.10 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 66.88 1ijk h VAL 532 Cb 1.49 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1ijk h VAL 532 CO 0.16 0.22 0.26 0.25 0.02 0.00 0.00 177.57 178.47 1ijk h LEU 533 N 0.62 0.42 -1.30 2.57 5.85 -1.52 0.28 115.31 122.22 1ijk h LEU 533 Ca 0.16 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1ijk h LEU 533 Cb 0.14 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1ijk h LEU 533 CO -0.02 0.30 0.16 0.11 -0.34 0.00 0.00 178.44 178.66 1ijk h LYS 534 N 0.52 0.64 -0.62 1.25 1.57 -1.01 -0.65 116.57 118.26 1ijk h LYS 534 Ca 0.17 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1ijk h LYS 534 Cb -0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1ijk h LYS 534 CO -0.07 0.54 0.04 0.00 -0.57 0.00 0.00 179.45 179.39 1ijk h ALA 535 N 1.55 0.82 -0.73 3.86 0.00 0.19 -0.41 119.26 124.55 1ijk h ALA 535 Ca 0.15 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ijk h ALA 535 Cb 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1ijk h ALA 535 CO -0.01 0.64 0.45 0.35 0.00 0.00 0.00 179.25 180.68 1ijk h PHE 536 N 0.97 0.85 -0.31 0.00 3.57 0.68 -1.24 116.94 121.45 1ijk h PHE 536 Ca 0.18 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1ijk h PHE 536 Cb 0.52 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1ijk h PHE 536 CO 0.04 0.48 -0.02 0.28 -2.23 0.00 0.00 178.31 176.85 1ijk h VAL 537 N 0.88 1.26 -0.19 1.41 2.07 -0.71 -2.66 116.25 118.31 1ijk h VAL 537 Ca 0.30 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1ijk h VAL 537 Cb 0.04 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1ijk h VAL 537 CO -0.12 0.32 0.13 0.58 0.02 0.00 0.00 177.57 178.50 1ijk h VAL 538 N 0.34 0.99 0.37 2.57 2.07 -0.64 -2.22 116.25 119.73 1ijk h VAL 538 Ca 0.08 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1ijk h VAL 538 Cb 0.47 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1ijk h VAL 538 CO 0.02 0.03 -0.18 0.44 0.02 0.00 0.00 177.57 177.90 1ijk h ASP 539 N 0.16 -0.42 -0.74 0.57 3.45 -0.97 -1.93 116.42 116.55 1ijk h ASP 539 Ca 0.08 -0.15 0.16 0.00 0.43 0.00 0.00 57.03 57.55 1ijk h ASP 539 Cb 0.13 0.11 -0.11 0.00 -0.56 0.00 0.00 39.33 38.90 1ijk h ASP 539 CO -0.01 -0.03 0.21 0.24 -1.57 0.00 0.00 179.24 178.07 1ijk h MET 540 N -0.86 0.30 -0.03 3.56 2.86 -1.20 0.76 114.93 120.32 1ijk h MET 540 Ca -0.05 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1ijk h MET 540 Cb 0.54 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1ijk h MET 540 CO 0.08 0.20 -0.18 0.52 1.06 0.00 0.00 176.91 178.59 1ijk h MET 541 N 0.31 0.04 0.00 1.72 2.86 -1.39 -0.61 114.93 117.85 1ijk h MET 541 Ca 0.41 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1ijk h MET 541 Cb 0.69 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1ijk h MET 541 CO -0.48 0.22 0.00 0.93 1.06 0.00 0.00 176.91 178.64 1ijk h GLU 542 N 0.04 0.00 -0.34 1.72 5.08 0.13 -2.88 114.58 118.33 1ijk h GLU 542 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1ijk h GLU 542 Cb 0.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1ijk h GLU 542 CO 0.02 0.00 0.02 0.54 -1.00 0.00 0.00 179.01 178.59 1ijk n ARG 543 N -3.01 2.99 -4.34 2.33 1.74 -0.28 -4.36 116.66 111.73 1ijk n ARG 543 Ca 0.01 -2.94 -0.20 0.00 -0.77 0.00 0.00 57.85 53.96 1ijk n ARG 543 Cb 0.35 -1.91 -0.11 0.00 -1.02 0.00 0.00 32.46 29.77 1ijk n ARG 543 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ijk s LEU 544 N -2.90 2.50 -0.86 0.55 1.43 -0.94 -1.90 118.68 116.56 1ijk s LEU 544 Ca 0.45 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1ijk s LEU 544 Cb 0.37 -0.73 0.23 0.00 0.03 0.00 0.00 46.19 46.08 1ijk s LEU 544 CO 0.09 -0.11 0.80 -0.60 0.23 0.00 0.00 176.35 176.75 1ijk s ARG 545 N -3.25 3.61 -0.00 1.70 3.52 -0.78 -4.78 118.95 118.96 1ijk s ARG 545 Ca 0.19 -2.64 -0.30 0.00 -0.13 0.00 0.00 55.73 52.85 1ijk s ARG 545 Cb -0.03 -4.37 -0.04 0.00 -1.56 0.00 0.00 34.95 28.94 1ijk s ARG 545 CO 0.07 -1.27 1.22 0.08 -0.81 0.00 0.00 175.30 174.59 1ijk s VAL 546 N -0.17 4.10 0.00 7.11 1.01 -1.26 -1.58 120.40 129.62 1ijk s VAL 546 Ca 0.20 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1ijk s VAL 546 Cb -0.11 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1ijk s VAL 546 CO -0.08 0.05 0.00 -1.54 0.00 0.00 0.00 175.10 173.52 1ijk n SER 547 N 4.70 0.00 0.18 3.32 3.41 -0.37 -4.78 113.62 120.09 1ijk n SER 547 Ca 0.10 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.73 1ijk n SER 547 Cb 0.46 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.48 1ijk n SER 547 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1ijk h GLN 548 N 0.00 0.00 0.00 4.33 1.08 -1.90 -1.42 115.11 117.20 1ijk h GLN 548 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1ijk h GLN 548 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1ijk h GLN 548 CO 0.00 0.00 -0.89 1.63 -0.95 0.00 0.00 178.83 178.62 1ijk n LYS 549 N -1.86 0.50 0.00 1.46 4.76 -1.26 -4.94 118.16 116.82 1ijk n LYS 549 Ca -0.00 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1ijk n LYS 549 Cb 0.69 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1ijk n LYS 549 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1ijk n TRP 550 N -4.53 0.00 -3.32 2.13 7.02 -0.54 -4.78 117.44 113.43 1ijk n TRP 550 Ca -0.17 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.93 1ijk n TRP 550 Cb 0.44 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.26 1ijk n TRP 550 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1ijk s VAL 551 N 0.18 5.17 0.02 -0.99 1.01 -0.61 -2.18 120.40 122.99 1ijk s VAL 551 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1ijk s VAL 551 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1ijk s VAL 551 CO 0.00 0.26 -0.02 -0.13 0.00 0.00 0.00 175.10 175.21 1ijk s ARG 552 N 1.11 2.67 0.14 2.72 0.52 0.14 -1.23 118.95 125.03 1ijk s ARG 552 Ca 0.23 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 54.82 1ijk s ARG 552 Cb -0.15 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 1ijk s ARG 552 CO 0.09 0.60 -0.16 0.14 0.02 0.00 0.00 175.30 176.00 1ijk s VAL 553 N -1.11 1.55 -0.00 3.52 -7.23 -1.26 -0.60 120.40 115.27 1ijk s VAL 553 Ca 0.20 -1.84 -0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1ijk s VAL 553 Cb -0.11 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 1ijk s VAL 553 CO 0.11 -0.40 0.00 0.00 -0.31 0.00 0.00 175.10 174.51 1ijk s ALA 554 N -2.19 -0.01 -0.13 1.32 0.00 -0.87 -3.06 121.76 116.83 1ijk s ALA 554 Ca 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1ijk s ALA 554 Cb -0.05 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1ijk s ALA 554 CO 0.05 -0.02 -0.13 0.08 0.00 0.00 0.00 175.76 175.74 1ijk s VAL 555 N -0.15 1.41 -0.03 0.00 1.01 0.20 -0.66 120.40 122.19 1ijk s VAL 555 Ca -0.02 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1ijk s VAL 555 Cb -0.01 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 1ijk s VAL 555 CO -0.00 0.43 -0.14 -0.69 0.00 0.00 0.00 175.10 174.70 1ijk s VAL 556 N 1.36 1.14 -0.28 2.92 1.01 0.49 -0.74 120.40 126.31 1ijk s VAL 556 Ca 0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1ijk s VAL 556 Cb -0.13 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 1ijk s VAL 556 CO -0.07 0.33 0.08 -0.70 0.00 0.00 0.00 175.10 174.74 1ijk s GLU 557 N 0.04 3.25 -0.07 2.72 -6.30 -0.54 0.69 118.70 118.50 1ijk s GLU 557 Ca -0.02 -0.75 0.02 0.00 -2.50 0.00 0.00 54.97 51.72 1ijk s GLU 557 Cb -0.09 -3.36 -0.03 0.00 0.00 0.00 0.00 34.13 30.65 1ijk s GLU 557 CO 0.01 -0.37 -0.12 1.52 0.02 0.00 0.00 175.26 176.32 1ijk s TYR 558 N 1.53 2.78 0.00 5.30 1.13 0.09 -0.87 117.35 127.31 1ijk s TYR 558 Ca 0.04 -0.19 0.00 0.00 -1.41 0.00 0.00 57.07 55.51 1ijk s TYR 558 Cb -0.17 -1.69 0.00 0.00 -1.10 0.00 0.00 41.96 39.01 1ijk s TYR 558 CO 0.03 0.16 0.00 -2.39 -2.51 0.00 0.00 175.55 170.84 1ijk n HIS 559 N 2.49 0.00 0.17 -3.49 1.44 -1.26 0.06 115.22 114.62 1ijk n HIS 559 Ca -0.17 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.65 1ijk n HIS 559 Cb 0.52 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.71 1ijk n HIS 559 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1ijk h ASP 560 N 0.00 0.00 -2.08 4.39 1.82 -1.89 1.26 116.42 119.92 1ijk h ASP 560 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1ijk h ASP 560 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1ijk h ASP 560 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1ijk n GLY 561 N 1.16 4.31 3.11 -0.78 0.00 -1.26 -4.79 105.19 106.93 1ijk n GLY 561 Ca 0.02 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 1ijk n GLY 561 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ijk s SER 562 N -0.77 1.14 -0.21 1.61 1.04 -1.26 -4.51 113.70 110.75 1ijk s SER 562 Ca 0.00 -0.65 -0.00 0.00 0.48 0.00 0.00 55.95 55.78 1ijk s SER 562 Cb 0.00 0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.19 1ijk s SER 562 CO 0.00 -0.22 -0.05 -2.28 0.98 0.00 0.00 173.24 171.68 1ijk s HIS 563 N -1.77 2.03 -0.24 5.02 2.46 -0.05 -5.00 115.29 117.74 1ijk s HIS 563 Ca -0.04 -1.44 -0.19 0.00 0.47 0.00 0.00 55.06 53.86 1ijk s HIS 563 Cb -0.07 -1.44 -0.02 0.00 -0.13 0.00 0.00 32.58 30.91 1ijk s HIS 563 CO 0.00 -0.71 0.58 0.00 -2.47 0.00 0.00 174.74 172.14 1ijk s ALA 564 N 1.52 3.59 -0.12 1.58 0.00 -1.26 -1.46 121.76 125.60 1ijk s ALA 564 Ca -0.03 -0.46 0.10 0.00 0.00 0.00 0.00 51.96 51.57 1ijk s ALA 564 Cb -0.17 -2.95 -0.24 0.00 0.00 0.00 0.00 23.12 19.77 1ijk s ALA 564 CO -0.07 -0.70 0.37 0.66 0.00 0.00 0.00 175.76 176.02 1ijk n TYR 565 N 5.43 0.68 -3.78 0.00 4.02 0.08 -4.91 117.16 118.68 1ijk n TYR 565 Ca -0.02 0.21 -0.17 0.00 -0.01 0.00 0.00 57.90 57.91 1ijk n TYR 565 Cb 0.49 -1.11 -0.17 0.00 -0.02 0.00 0.00 39.34 38.53 1ijk n TYR 565 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ijk s ILE 566 N -2.55 0.00 0.23 -0.72 1.01 -1.06 -4.91 121.20 113.19 1ijk s ILE 566 Ca -0.12 0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.83 1ijk s ILE 566 Cb 0.07 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.34 1ijk s ILE 566 CO 0.80 0.13 0.22 -0.83 0.00 0.00 0.00 174.94 175.26 1ijk s GLY 567 N 1.38 1.45 0.36 6.18 0.00 -1.26 0.62 107.32 116.06 1ijk s GLY 567 Ca -0.05 -1.32 0.09 0.00 0.00 0.00 0.00 44.72 43.44 1ijk s GLY 567 CO -0.03 -1.35 1.90 1.41 0.00 0.00 0.00 173.10 175.03 1ijk h LEU 568 N 1.65 0.64 -0.27 0.66 3.38 -1.92 -2.44 115.31 117.00 1ijk h LEU 568 Ca -0.49 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1ijk h LEU 568 Cb 1.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1ijk h LEU 568 CO 0.62 0.35 -0.15 0.29 0.09 0.00 0.00 178.44 179.63 1ijk n LYS 569 N -4.53 0.67 -1.70 1.13 5.02 -1.26 -4.53 118.16 112.96 1ijk n LYS 569 Ca 0.15 -0.27 -0.43 0.00 -2.02 0.00 0.00 58.31 55.74 1ijk n LYS 569 Cb 0.41 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1ijk n LYS 569 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ijk n ASP 570 N -0.92 3.87 -4.45 4.39 8.00 -0.92 -4.93 116.55 121.59 1ijk n ASP 570 Ca 0.13 1.04 -0.43 0.00 0.71 0.00 0.00 54.79 56.24 1ijk n ASP 570 Cb 0.30 -1.54 -0.08 0.00 -0.02 0.00 0.00 41.12 39.78 1ijk n ASP 570 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ijk s ARG 571 N 1.73 3.06 -0.04 -1.24 1.70 -1.26 -4.93 118.95 117.97 1ijk s ARG 571 Ca 0.78 -0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 54.80 1ijk s ARG 571 Cb -0.53 -4.03 0.08 0.00 -0.57 0.00 0.00 34.95 29.91 1ijk s ARG 571 CO 0.35 -0.94 0.72 0.15 -1.08 0.00 0.00 175.30 174.51 1ijk s LYS 572 N 2.05 1.02 0.51 3.89 1.02 -1.26 -5.15 119.74 121.82 1ijk s LYS 572 Ca 0.10 0.14 -0.23 0.00 0.02 0.00 0.00 55.97 55.99 1ijk s LYS 572 Cb -0.19 0.48 -0.06 0.00 -0.52 0.00 0.00 37.83 37.53 1ijk s LYS 572 CO 0.11 -0.34 1.37 1.03 -0.92 0.00 0.00 175.35 176.60 1ijk s ARG 573 N -1.56 3.37 0.60 1.68 0.52 -1.26 -4.80 118.95 117.49 1ijk s ARG 573 Ca -0.08 2.26 0.29 0.00 -0.52 0.00 0.00 55.73 57.69 1ijk s ARG 573 Cb -0.00 -2.40 1.66 0.00 0.52 0.00 0.00 34.95 34.73 1ijk s ARG 573 CO 0.05 -1.02 2.07 -1.35 0.02 0.00 0.00 175.30 175.07 1ijk h PRO 574 N 1.79 0.00 -0.25 3.54 0.11 -2.00 -1.19 132.00 134.00 1ijk h PRO 574 Ca -0.51 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 1ijk h PRO 574 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1ijk h PRO 574 CO 0.59 0.00 -0.49 0.66 -0.21 0.00 0.00 178.00 178.55 1ijk h SER 575 N 0.00 0.87 0.14 -2.05 4.64 -1.99 -1.61 113.55 113.56 1ijk h SER 575 Ca 0.10 -0.54 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 1ijk h SER 575 Cb 0.59 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ijk h SER 575 CO -0.00 1.24 -0.07 -0.08 -0.87 0.00 0.00 176.83 177.05 1ijk h GLU 576 N 0.52 -0.19 -0.92 4.77 4.57 -1.59 -0.27 114.58 121.48 1ijk h GLU 576 Ca 0.01 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 1ijk h GLU 576 Cb 1.10 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.65 1ijk h GLU 576 CO 0.11 0.03 0.56 -0.07 -1.18 0.00 0.00 179.01 178.47 1ijk h LEU 577 N -0.39 0.85 -1.01 1.64 3.38 -1.44 0.26 115.31 118.61 1ijk h LEU 577 Ca -0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1ijk h LEU 577 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1ijk h LEU 577 CO 0.03 0.50 -0.23 0.03 0.09 0.00 0.00 178.44 178.86 1ijk h ARG 578 N 0.96 0.45 0.07 1.13 3.08 -1.08 -1.42 114.38 117.56 1ijk h ARG 578 Ca 0.43 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1ijk h ARG 578 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1ijk h ARG 578 CO -0.22 0.65 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.20 1ijk h ARG 579 N 0.40 -0.09 -0.46 0.04 2.43 0.88 -2.12 114.38 115.45 1ijk h ARG 579 Ca 0.06 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1ijk h ARG 579 Cb 0.62 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.11 1ijk h ARG 579 CO 0.04 0.21 -0.01 0.82 -1.51 0.00 0.00 179.97 179.52 1ijk h ILE 580 N -0.40 0.63 -0.63 1.20 2.04 -0.37 -1.45 117.51 118.53 1ijk h ILE 580 Ca -0.01 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1ijk h ILE 580 Cb 0.35 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1ijk h ILE 580 CO 0.02 0.02 0.32 0.00 0.00 0.00 0.00 178.15 178.50 1ijk h ALA 581 N 1.42 1.38 0.00 1.87 0.00 -1.22 -0.88 119.26 121.82 1ijk h ALA 581 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ijk h ALA 581 Cb 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ijk h ALA 581 CO -0.39 0.50 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 1ijk n SER 582 N -4.36 0.35 -1.03 0.00 3.41 -0.63 -2.41 113.62 108.95 1ijk n SER 582 Ca 0.06 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 1ijk n SER 582 Cb 0.12 -0.65 0.25 0.00 -0.26 0.00 0.00 64.21 63.67 1ijk n SER 582 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ijk n GLN 583 N -1.86 3.04 -1.78 4.33 1.13 -0.36 -4.99 117.38 116.89 1ijk n GLN 583 Ca 0.04 -2.47 -0.42 0.00 -1.94 0.00 0.00 57.00 52.21 1ijk n GLN 583 Cb 0.26 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 1ijk n GLN 583 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ijk s VAL 584 N -1.43 3.20 0.26 5.09 1.01 -1.01 -4.90 120.40 122.61 1ijk s VAL 584 Ca 0.37 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1ijk s VAL 584 Cb 0.22 -3.16 -0.11 0.00 0.00 0.00 0.00 36.38 33.34 1ijk s VAL 584 CO 0.20 -0.02 1.56 -0.54 0.00 0.00 0.00 175.10 176.31 1ijk s LYS 585 N 4.33 4.17 -0.20 2.72 -0.14 -1.26 -4.93 119.74 124.43 1ijk s LYS 585 Ca 0.84 2.49 -0.29 0.00 -1.36 0.00 0.00 55.97 57.64 1ijk s LYS 585 Cb -0.40 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 32.66 1ijk s LYS 585 CO 0.38 -0.58 1.66 -0.47 -0.76 0.00 0.00 175.35 175.57 1ijk s TYR 586 N 0.23 2.03 -0.05 3.18 5.04 -1.26 -4.93 117.35 121.59 1ijk s TYR 586 Ca 0.64 0.49 -0.10 0.00 -2.44 0.00 0.00 57.07 55.67 1ijk s TYR 586 Cb -0.46 -3.99 -0.05 0.00 0.35 0.00 0.00 41.96 37.81 1ijk s TYR 586 CO 0.43 -3.12 0.45 0.00 -1.34 0.00 0.00 175.55 171.97 1ijk h ALA 587 N 10.88 -0.40 -0.45 3.97 0.00 -1.92 -3.48 119.26 127.86 1ijk h ALA 587 Ca -0.35 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 1ijk h ALA 587 Cb 1.16 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1ijk h ALA 587 CO 1.00 -0.37 -0.18 0.41 0.00 0.00 0.00 179.25 180.11 1ijk n GLY 588 N 0.79 1.10 3.59 0.00 0.00 -0.09 -4.97 105.19 105.61 1ijk n GLY 588 Ca -0.04 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1ijk n GLY 588 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ijk s SER 589 N -2.82 1.99 0.28 1.61 1.04 -0.52 -3.41 113.70 111.87 1ijk s SER 589 Ca 0.00 1.83 0.13 0.00 0.48 0.00 0.00 55.95 58.39 1ijk s SER 589 Cb 0.00 -2.42 0.29 0.00 0.10 0.00 0.00 66.02 63.99 1ijk s SER 589 CO 0.00 -3.62 1.55 -0.61 0.98 0.00 0.00 173.24 171.54 1ijk h GLN 590 N -2.23 0.00 -5.94 4.02 -0.00 -1.94 0.69 115.11 109.71 1ijk h GLN 590 Ca -0.53 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 57.57 1ijk h GLN 590 Cb 1.30 0.00 -0.26 0.00 0.00 0.00 0.00 27.48 28.52 1ijk h GLN 590 CO 0.47 0.59 -0.83 0.08 0.00 0.00 0.00 178.83 179.14 1ijk s VAL 591 N -3.29 1.56 -0.35 2.39 1.01 -1.26 -4.72 120.40 115.74 1ijk s VAL 591 Ca 0.01 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1ijk s VAL 591 Cb 0.11 -1.36 0.11 0.00 0.00 0.00 0.00 36.38 35.24 1ijk s VAL 591 CO 0.75 0.20 0.14 0.00 0.00 0.00 0.00 175.10 176.18 1ijk s ALA 592 N -0.76 1.82 -0.51 5.51 0.00 -1.24 -2.78 121.76 123.79 1ijk s ALA 592 Ca 0.07 -2.02 -0.28 0.00 0.00 0.00 0.00 51.96 49.73 1ijk s ALA 592 Cb -0.08 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.34 1ijk s ALA 592 CO 0.01 -1.79 1.10 0.45 0.00 0.00 0.00 175.76 175.53 1ijk s SER 593 N 1.18 6.52 0.18 0.00 0.15 0.43 -4.41 113.70 117.76 1ijk s SER 593 Ca 0.12 0.21 -0.08 0.00 0.70 0.00 0.00 55.95 56.90 1ijk s SER 593 Cb -0.20 -2.52 0.07 0.00 -1.71 0.00 0.00 66.02 61.67 1ijk s SER 593 CO -0.16 -1.29 1.60 0.71 1.20 0.00 0.00 173.24 175.31 1ijk h THR 594 N 6.17 1.27 0.06 6.45 1.35 -1.94 -2.67 112.91 123.60 1ijk h THR 594 Ca -0.24 -1.30 0.02 0.00 -0.55 0.00 0.00 66.41 64.35 1ijk h THR 594 Cb 1.06 1.03 -0.04 0.00 -1.73 0.00 0.00 68.15 68.47 1ijk h THR 594 CO 1.12 0.45 -0.28 0.28 -0.25 0.00 0.00 175.52 176.84 1ijk h SER 595 N 0.86 -0.82 -0.66 5.36 0.02 -1.90 -1.02 113.55 115.39 1ijk h SER 595 Ca 0.13 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1ijk h SER 595 Cb 0.71 0.32 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 1ijk h SER 595 CO 0.05 -0.36 0.37 -0.33 -1.14 0.00 0.00 176.83 175.42 1ijk h GLU 596 N -0.47 0.94 0.00 3.45 4.39 -1.84 0.11 114.58 121.16 1ijk h GLU 596 Ca 0.05 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1ijk h GLU 596 Cb 0.52 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1ijk h GLU 596 CO -0.20 0.69 0.00 -0.24 -1.16 0.00 0.00 179.01 178.10 1ijk h VAL 597 N 0.95 0.00 0.10 3.13 3.04 -1.21 -0.80 116.25 121.45 1ijk h VAL 597 Ca 0.24 -0.74 -0.28 0.00 -1.01 0.00 0.00 66.70 64.91 1ijk h VAL 597 Cb 0.02 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 1ijk h VAL 597 CO -0.04 0.00 -1.37 -0.07 -1.01 0.00 0.00 177.57 175.08 1ijk h LEU 598 N 0.00 0.32 -0.74 3.16 3.38 -0.42 -2.27 115.31 118.74 1ijk h LEU 598 Ca 0.00 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 1ijk h LEU 598 Cb 0.81 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1ijk h LEU 598 CO 0.00 1.32 0.10 0.50 0.09 0.00 0.00 178.44 180.45 1ijk h LYS 599 N 0.06 1.06 -0.48 1.13 3.64 -0.67 0.15 116.57 121.46 1ijk h LYS 599 Ca -0.17 -0.28 -0.08 0.00 -1.27 0.00 0.00 60.65 58.85 1ijk h LYS 599 Cb 1.97 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.64 1ijk h LYS 599 CO 0.17 0.98 0.00 -0.92 -2.27 0.00 0.00 179.45 177.40 1ijk h TYR 600 N 0.99 0.92 -0.37 1.91 3.20 -1.17 0.39 116.97 122.84 1ijk h TYR 600 Ca 0.20 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1ijk h TYR 600 Cb 0.43 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1ijk h TYR 600 CO 0.03 0.87 0.17 1.15 -1.64 0.00 0.00 178.16 178.75 1ijk h THR 601 N 0.70 1.18 0.37 1.81 2.02 -1.05 0.32 112.91 118.26 1ijk h THR 601 Ca 0.14 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1ijk h THR 601 Cb 0.51 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1ijk h THR 601 CO 0.02 0.19 -0.18 0.25 0.37 0.00 0.00 175.52 176.18 1ijk h LEU 602 N 0.46 -0.42 -0.49 2.58 5.85 -0.51 -1.03 115.31 121.75 1ijk h LEU 602 Ca 0.13 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ijk h LEU 602 Cb 0.14 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1ijk h LEU 602 CO -0.01 0.00 -0.11 0.49 -0.34 0.00 0.00 178.44 178.46 1ijk n PHE 603 N -5.14 0.00 0.10 1.25 3.72 0.13 -3.64 117.46 113.88 1ijk n PHE 603 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1ijk n PHE 603 Cb 0.27 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1ijk n PHE 603 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ijk n GLN 604 N -0.57 0.00 -0.35 -1.08 6.02 -0.03 -4.37 117.38 117.01 1ijk n GLN 604 Ca 0.16 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.16 1ijk n GLN 604 Cb 0.30 -0.23 0.15 0.00 1.02 0.00 0.00 30.24 31.48 1ijk n GLN 604 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1ijk h ILE 605 N 0.00 1.10 -0.69 5.09 2.04 -1.16 -2.77 117.51 121.13 1ijk h ILE 605 Ca 0.00 -0.39 -0.50 0.00 1.00 0.00 0.00 64.86 64.97 1ijk h ILE 605 Cb 0.02 -0.14 -0.37 0.00 -0.74 0.00 0.00 36.82 35.59 1ijk h ILE 605 CO 0.00 0.21 -0.65 0.49 0.00 0.00 0.00 178.15 178.20 1ijk n PHE 606 N -4.52 2.49 -0.28 1.37 3.72 -0.40 -4.75 117.46 115.09 1ijk n PHE 606 Ca 0.14 -2.20 0.05 0.00 -0.05 0.00 0.00 57.45 55.39 1ijk n PHE 606 Cb 0.15 -0.42 0.19 0.00 -0.94 0.00 0.00 39.48 38.46 1ijk n PHE 606 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1ijk h SER 607 N 2.03 0.55 -3.96 4.37 0.87 -1.56 -3.40 113.55 112.46 1ijk h SER 607 Ca 0.35 0.07 -0.43 0.00 -1.23 0.00 0.00 61.79 60.55 1ijk h SER 607 Cb 1.44 -0.02 -0.30 0.00 -0.44 0.00 0.00 62.40 63.08 1ijk h SER 607 CO 0.74 0.28 -0.79 -0.54 -0.53 0.00 0.00 176.83 175.99 1ijk s LYS 608 N -6.01 0.93 -0.80 2.24 3.01 -1.26 -4.99 119.74 112.85 1ijk s LYS 608 Ca -0.12 -0.35 -0.14 0.00 -1.01 0.00 0.00 55.97 54.35 1ijk s LYS 608 Cb 0.20 -0.88 0.21 0.00 -1.01 0.00 0.00 37.83 36.35 1ijk s LYS 608 CO 0.78 0.18 0.73 0.42 0.51 0.00 0.00 175.35 177.97 1ijk s ILE 609 N -0.04 5.51 -1.48 2.17 1.01 -1.26 -4.87 121.20 122.24 1ijk s ILE 609 Ca 0.01 -2.42 0.14 0.00 0.00 0.00 0.00 60.65 58.38 1ijk s ILE 609 Cb -0.06 -4.42 0.49 0.00 0.01 0.00 0.00 42.46 38.49 1ijk s ILE 609 CO 0.00 -1.01 1.38 -0.90 0.00 0.00 0.00 174.94 174.41 1ijk n ASP 610 N 4.05 3.28 -2.94 3.58 5.75 -1.26 -4.38 116.55 124.64 1ijk n ASP 610 Ca 0.11 -2.22 -0.14 0.00 -0.01 0.00 0.00 54.79 52.54 1ijk n ASP 610 Cb 0.46 -0.44 0.01 0.00 -1.03 0.00 0.00 41.12 40.12 1ijk n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ijk n ARG 611 N 0.81 1.04 0.07 0.11 5.12 -1.26 -4.97 116.66 117.59 1ijk n ARG 611 Ca 0.18 -3.14 0.21 0.00 -1.93 0.00 0.00 57.85 53.17 1ijk n ARG 611 Cb 0.60 -1.40 0.74 0.00 -1.16 0.00 0.00 32.46 31.24 1ijk n ARG 611 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1ijk h PRO 612 N 2.95 0.00 0.00 5.56 0.13 -2.01 -1.36 132.00 137.27 1ijk h PRO 612 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1ijk h PRO 612 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ijk h PRO 612 CO 0.44 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.36 1ijk n GLU 613 N -3.83 0.15 -4.24 0.86 0.00 -1.26 -4.78 120.64 107.55 1ijk n GLU 613 Ca 0.08 0.36 -0.26 0.00 0.00 0.00 0.00 57.16 57.34 1ijk n GLU 613 Cb 0.62 -1.78 -0.08 0.00 0.00 0.00 0.00 31.44 30.20 1ijk n GLU 613 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ijk s ALA 614 N -3.23 3.12 0.32 -1.84 0.00 -0.51 -4.67 121.76 114.95 1ijk s ALA 614 Ca 0.06 -1.42 -0.26 0.00 0.00 0.00 0.00 51.96 50.33 1ijk s ALA 614 Cb 0.10 -0.90 -0.10 0.00 0.00 0.00 0.00 23.12 22.22 1ijk s ALA 614 CO 0.38 0.46 0.96 -1.12 0.00 0.00 0.00 175.76 176.44 1ijk s SER 615 N -2.95 7.33 -0.29 0.00 0.01 -0.78 -4.84 113.70 112.17 1ijk s SER 615 Ca 0.27 1.88 -0.05 0.00 1.31 0.00 0.00 55.95 59.36 1ijk s SER 615 Cb -0.09 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.58 1ijk s SER 615 CO 0.18 -0.08 0.04 -0.13 0.41 0.00 0.00 173.24 173.66 1ijk s ARG 616 N -1.97 2.87 -0.04 12.44 0.52 -1.26 0.23 118.95 131.74 1ijk s ARG 616 Ca 0.50 -0.99 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 1ijk s ARG 616 Cb -0.20 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 1ijk s ARG 616 CO 0.26 -0.49 -0.23 0.42 0.02 0.00 0.00 175.30 175.27 1ijk s ILE 617 N 1.41 2.25 -0.31 1.52 1.01 0.11 0.83 121.20 128.03 1ijk s ILE 617 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1ijk s ILE 617 Cb -0.18 -1.81 0.07 0.00 0.01 0.00 0.00 42.46 40.55 1ijk s ILE 617 CO 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 174.94 175.52 1ijk s ALA 618 N -0.45 2.79 -0.63 9.38 0.00 0.28 0.42 121.76 133.55 1ijk s ALA 618 Ca 0.05 -1.99 -0.22 0.00 0.00 0.00 0.00 51.96 49.79 1ijk s ALA 618 Cb -0.12 -1.88 0.07 0.00 0.00 0.00 0.00 23.12 21.19 1ijk s ALA 618 CO 0.01 -1.38 0.91 -1.17 0.00 0.00 0.00 175.76 174.12 1ijk s LEU 619 N 1.12 4.50 -0.97 0.00 2.96 0.11 -0.68 118.68 125.73 1ijk s LEU 619 Ca -0.02 -0.95 -0.18 0.00 -0.22 0.00 0.00 54.13 52.76 1ijk s LEU 619 Cb -0.20 -2.46 0.14 0.00 0.50 0.00 0.00 46.19 44.16 1ijk s LEU 619 CO -0.04 -1.34 1.18 -0.22 -1.32 0.00 0.00 176.35 174.61 1ijk s LEU 620 N 3.79 5.04 -0.95 -0.68 2.96 -0.74 -0.76 118.68 127.34 1ijk s LEU 620 Ca 0.21 -2.18 -0.24 0.00 -0.22 0.00 0.00 54.13 51.70 1ijk s LEU 620 Cb -0.17 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.14 1ijk s LEU 620 CO 0.11 -1.02 1.58 -0.76 -1.32 0.00 0.00 176.35 174.94 1ijk s LEU 621 N 2.54 3.38 -0.11 -0.68 1.43 -0.04 -1.15 118.68 124.04 1ijk s LEU 621 Ca 0.34 -1.09 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 1ijk s LEU 621 Cb -0.04 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 1ijk s LEU 621 CO -0.08 -1.89 0.30 -0.04 0.23 0.00 0.00 176.35 174.87 1ijk s MET 622 N 5.65 4.04 0.00 1.70 -1.94 0.40 -2.25 119.30 126.91 1ijk s MET 622 Ca 0.52 0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 1ijk s MET 622 Cb -0.03 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.47 1ijk s MET 622 CO -0.04 0.43 0.30 0.00 -0.01 0.00 0.00 175.02 175.70 1ijk n ALA 623 N 2.89 1.80 -3.43 3.03 0.00 -1.26 0.47 120.51 124.00 1ijk n ALA 623 Ca -0.14 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 52.94 1ijk n ALA 623 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1ijk n ALA 623 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ijk n SER 624 N -0.15 -0.37 -3.95 0.00 3.41 -1.24 -3.12 113.62 108.19 1ijk n SER 624 Ca 0.00 -1.77 -0.29 0.00 -0.26 0.00 0.00 58.87 56.55 1ijk n SER 624 Cb 0.05 0.76 -0.16 0.00 -0.26 0.00 0.00 64.21 64.60 1ijk n SER 624 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1ijk s GLN 625 N -2.42 1.82 0.57 4.33 0.74 -1.11 -1.00 119.66 122.60 1ijk s GLN 625 Ca 0.13 -0.51 -0.15 0.00 0.05 0.00 0.00 55.36 54.88 1ijk s GLN 625 Cb 0.00 -1.99 -0.05 0.00 1.10 0.00 0.00 33.01 32.07 1ijk s GLN 625 CO 0.09 -0.33 1.02 -1.83 -0.55 0.00 0.00 175.29 173.70 1ijk s GLU 626 N 1.57 3.61 0.30 1.67 -1.05 -1.26 -4.90 118.70 118.63 1ijk s GLU 626 Ca 0.03 1.02 -0.30 0.00 -0.15 0.00 0.00 54.97 55.57 1ijk s GLU 626 Cb -0.14 -2.08 -0.11 0.00 -0.44 0.00 0.00 34.13 31.36 1ijk s GLU 626 CO -0.09 -0.56 1.58 -2.14 0.95 0.00 0.00 175.26 175.01 1ijk s PRO 627 N -4.27 4.12 0.45 -4.83 0.02 -1.26 -4.87 135.00 124.38 1ijk s PRO 627 Ca 0.60 2.57 0.26 0.00 0.02 0.00 0.00 61.00 64.45 1ijk s PRO 627 Cb -0.12 -3.02 1.28 0.00 0.02 0.00 0.00 34.50 32.66 1ijk s PRO 627 CO 0.38 -0.62 1.78 0.37 -0.33 0.00 0.00 177.00 178.57 1ijk h GLN 628 N 4.73 0.23 0.00 5.54 5.75 -2.00 0.06 115.11 129.41 1ijk h GLN 628 Ca -0.47 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1ijk h GLN 628 Cb 1.22 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.72 1ijk h GLN 628 CO 0.78 0.15 0.00 2.89 -2.65 0.00 0.00 178.83 180.00 1ijk n ARG 629 N -4.47 0.06 -0.08 1.69 1.85 -1.26 -1.69 116.66 112.75 1ijk n ARG 629 Ca 0.26 0.36 0.12 0.00 -1.00 0.00 0.00 57.85 57.59 1ijk n ARG 629 Cb 1.04 -1.62 0.15 0.00 -1.05 0.00 0.00 32.46 30.97 1ijk n ARG 629 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1ijk n MET 630 N -1.74 2.41 -0.31 2.89 2.81 0.01 -4.41 117.12 118.78 1ijk n MET 630 Ca 0.02 -2.08 0.09 0.00 -1.81 0.00 0.00 57.70 53.92 1ijk n MET 630 Cb 0.15 -1.49 0.26 0.00 -0.71 0.00 0.00 33.22 31.43 1ijk n MET 630 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ijk n SER 631 N 1.42 3.61 -0.06 7.83 7.64 -0.69 -4.64 113.62 128.72 1ijk n SER 631 Ca 0.16 -2.06 -0.07 0.00 1.01 0.00 0.00 58.87 57.90 1ijk n SER 631 Cb 0.60 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 1ijk n SER 631 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1ijk h ARG 632 N 3.29 -0.19 -0.64 1.43 2.43 -1.77 -1.68 114.38 117.26 1ijk h ARG 632 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ijk h ARG 632 Cb 0.94 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1ijk h ARG 632 CO 0.02 -0.12 0.00 0.09 -1.51 0.00 0.00 179.97 178.45 1ijk n ASN 633 N -5.36 2.75 0.20 -3.80 3.02 -1.26 -4.45 115.26 106.35 1ijk n ASN 633 Ca -0.00 -2.28 -0.15 0.00 -0.03 0.00 0.00 54.58 52.12 1ijk n ASN 633 Cb 0.27 -0.46 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 1ijk n ASN 633 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1ijk h PHE 634 N 1.94 -0.70 -0.44 3.10 3.57 -1.59 -0.31 116.94 122.51 1ijk h PHE 634 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1ijk h PHE 634 Cb 0.94 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1ijk h PHE 634 CO 0.42 -0.39 0.17 0.28 -2.23 0.00 0.00 178.31 176.55 1ijk h VAL 635 N -0.58 1.21 -0.71 1.41 2.07 -1.79 -1.34 116.25 116.51 1ijk h VAL 635 Ca -0.02 -0.65 0.14 0.00 0.82 0.00 0.00 66.70 66.99 1ijk h VAL 635 Cb 0.52 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 1ijk h VAL 635 CO -0.03 0.24 0.24 -0.09 0.02 0.00 0.00 177.57 177.94 1ijk h ARG 636 N 0.56 0.36 -0.15 1.57 2.43 -1.78 0.27 114.38 117.64 1ijk h ARG 636 Ca 0.14 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.09 1ijk h ARG 636 Cb 0.21 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1ijk h ARG 636 CO -0.01 0.24 -0.71 1.88 -1.51 0.00 0.00 179.97 179.85 1ijk h TYR 637 N 0.37 0.86 -0.42 2.20 0.05 -0.78 -0.14 116.97 119.11 1ijk h TYR 637 Ca 0.39 -0.36 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 1ijk h TYR 637 Cb 0.60 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 1ijk h TYR 637 CO -0.20 1.16 -0.02 0.28 -1.05 0.00 0.00 178.16 178.32 1ijk h VAL 638 N 0.45 1.23 -0.22 -2.88 2.07 -0.38 0.71 116.25 117.24 1ijk h VAL 638 Ca -0.03 -0.97 -0.16 0.00 0.82 0.00 0.00 66.70 66.36 1ijk h VAL 638 Cb 1.31 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1ijk h VAL 638 CO 0.14 0.34 -0.50 -0.61 0.02 0.00 0.00 177.57 176.95 1ijk h GLN 639 N 0.64 0.72 -0.87 1.57 5.75 -0.40 -1.86 115.11 120.67 1ijk h GLN 639 Ca 0.13 -0.49 -0.02 0.00 -0.15 0.00 0.00 58.65 58.12 1ijk h GLN 639 Cb 0.44 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.02 1ijk h GLN 639 CO 0.02 1.11 0.46 0.78 -2.65 0.00 0.00 178.83 178.55 1ijk h GLY 640 N 0.44 1.30 0.95 2.39 0.00 -0.67 -1.80 103.07 105.68 1ijk h GLY 640 Ca -0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 1ijk h GLY 640 CO 0.11 0.57 0.19 1.41 0.00 0.00 0.00 176.54 178.82 1ijk h LEU 641 N 1.22 0.56 -1.48 3.11 3.38 -0.72 -2.78 115.31 118.59 1ijk h LEU 641 Ca 0.30 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1ijk h LEU 641 Cb 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1ijk h LEU 641 CO -0.05 0.55 0.39 0.50 0.09 0.00 0.00 178.44 179.92 1ijk h LYS 642 N 0.53 0.66 -0.19 1.13 3.64 -0.72 -0.87 116.57 120.74 1ijk h LYS 642 Ca 0.14 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1ijk h LYS 642 Cb 0.15 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1ijk h LYS 642 CO -0.02 0.43 -0.37 0.87 -2.27 0.00 0.00 179.45 178.09 1ijk h LYS 643 N 0.68 0.43 -0.83 1.90 1.79 -1.08 -2.20 116.57 117.26 1ijk h LYS 643 Ca 0.24 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1ijk h LYS 643 Cb 0.10 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1ijk h LYS 643 CO -0.06 0.74 0.00 1.63 -1.08 0.00 0.00 179.45 180.68 1ijk n LYS 644 N -4.05 2.50 -3.89 3.15 5.02 -0.81 -4.88 118.16 115.21 1ijk n LYS 644 Ca -0.01 -1.22 -0.29 0.00 -2.02 0.00 0.00 58.31 54.76 1ijk n LYS 644 Cb 0.48 -1.79 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1ijk n LYS 644 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ijk n LYS 645 N 0.24 -5.60 -3.66 1.97 4.01 -0.83 -4.95 118.16 109.35 1ijk n LYS 645 Ca 0.11 0.61 -0.37 0.00 -0.51 0.00 0.00 58.31 58.14 1ijk n LYS 645 Cb 0.61 -5.48 -0.12 0.00 -0.51 0.00 0.00 35.03 29.53 1ijk n LYS 645 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1ijk s VAL 646 N -3.33 4.85 0.07 -0.18 1.01 -0.40 -4.09 120.40 118.34 1ijk s VAL 646 Ca 0.61 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.33 1ijk s VAL 646 Cb -0.30 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1ijk s VAL 646 CO 0.83 0.28 0.83 -0.63 0.00 0.00 0.00 175.10 176.41 1ijk s ILE 647 N 1.69 4.63 -0.22 2.22 1.01 0.24 -4.18 121.20 126.59 1ijk s ILE 647 Ca 0.07 1.79 -0.03 0.00 0.00 0.00 0.00 60.65 62.47 1ijk s ILE 647 Cb -0.16 -4.19 -0.00 0.00 0.01 0.00 0.00 42.46 38.12 1ijk s ILE 647 CO 0.08 0.36 -0.05 -0.69 0.00 0.00 0.00 174.94 174.63 1ijk s VAL 648 N -0.10 3.23 -0.44 2.92 1.01 -1.26 0.10 120.40 125.86 1ijk s VAL 648 Ca 0.41 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 1ijk s VAL 648 Cb -0.22 -2.49 0.11 0.00 0.00 0.00 0.00 36.38 33.79 1ijk s VAL 648 CO 0.26 0.39 0.27 -0.63 0.00 0.00 0.00 175.10 175.39 1ijk s ILE 649 N 1.45 3.76 0.05 2.22 1.01 0.15 -4.13 121.20 125.69 1ijk s ILE 649 Ca 0.05 -1.90 -0.31 0.00 0.00 0.00 0.00 60.65 58.50 1ijk s ILE 649 Cb -0.14 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 1ijk s ILE 649 CO -0.04 -0.72 1.23 -2.16 0.00 0.00 0.00 174.94 173.25 1ijk s PRO 650 N 1.26 4.40 -0.31 2.79 0.04 -1.24 -1.80 135.00 140.14 1ijk s PRO 650 Ca 0.07 1.80 0.02 0.00 0.04 0.00 0.00 61.00 62.93 1ijk s PRO 650 Cb -0.24 -3.38 0.08 0.00 0.04 0.00 0.00 34.50 30.99 1ijk s PRO 650 CO -0.02 -0.32 -0.00 0.08 0.04 0.00 0.00 177.00 176.77 1ijk s VAL 651 N 1.31 2.39 -0.04 -0.36 1.01 -0.30 -0.38 120.40 124.04 1ijk s VAL 651 Ca 0.59 -1.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.35 1ijk s VAL 651 Cb -0.30 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1ijk s VAL 651 CO 0.28 -0.34 0.83 -0.83 0.00 0.00 0.00 175.10 175.04 1ijk s GLY 652 N 1.09 2.72 -0.27 4.51 0.00 0.12 -0.45 107.32 115.04 1ijk s GLY 652 Ca 0.01 0.31 0.02 0.00 0.00 0.00 0.00 44.72 45.06 1ijk s GLY 652 CO -0.06 1.43 -0.04 -0.42 0.00 0.00 0.00 173.10 174.01 1ijk s ILE 653 N 0.96 1.82 0.00 0.90 1.01 0.18 -0.27 121.20 125.79 1ijk s ILE 653 Ca 0.44 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1ijk s ILE 653 Cb -0.19 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.17 1ijk s ILE 653 CO 0.22 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1ijk n GLY 654 N 4.53 0.09 0.00 6.18 0.00 -0.91 -4.25 105.19 110.83 1ijk n GLY 654 Ca -0.09 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.17 1ijk n GLY 654 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ijk n PRO 655 N 0.16 0.76 0.00 1.61 -0.04 -1.26 -3.26 135.00 132.97 1ijk n PRO 655 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1ijk n PRO 655 Cb 0.00 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 1ijk n PRO 655 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ijk n HIS 656 N -0.98 0.00 -1.71 0.54 8.25 -1.26 -5.01 115.22 115.05 1ijk n HIS 656 Ca 0.17 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.23 1ijk n HIS 656 Cb 0.08 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.21 1ijk n HIS 656 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ijk n ALA 657 N -0.79 1.32 -2.08 -1.41 0.00 -1.18 -2.75 120.51 113.62 1ijk n ALA 657 Ca 0.03 0.20 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 1ijk n ALA 657 Cb 0.17 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 1ijk n ALA 657 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ijk s ASN 658 N -0.69 5.11 0.29 0.00 3.84 -0.17 -4.78 114.94 118.55 1ijk s ASN 658 Ca 0.65 -1.37 -0.01 0.00 0.21 0.00 0.00 52.86 52.34 1ijk s ASN 658 Cb -0.47 -2.58 0.48 0.00 -0.55 0.00 0.00 41.25 38.12 1ijk s ASN 658 CO 0.55 -2.92 1.90 -0.07 -2.79 0.00 0.00 177.10 173.76 1ijk h LEU 659 N 17.64 0.97 -1.18 3.21 -0.00 -1.90 -0.30 115.31 133.74 1ijk h LEU 659 Ca 0.18 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1ijk h LEU 659 Cb 0.96 -0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 41.38 1ijk h LEU 659 CO 1.23 0.62 0.46 0.11 -0.00 0.00 0.00 178.44 180.85 1ijk h LYS 660 N 1.10 1.01 -0.01 1.13 1.57 -2.00 0.40 116.57 119.77 1ijk h LYS 660 Ca 0.41 -0.08 -0.26 0.00 -1.87 0.00 0.00 60.65 58.84 1ijk h LYS 660 Cb 0.18 -0.22 0.02 0.00 0.08 0.00 0.00 32.23 32.29 1ijk h LYS 660 CO -0.16 0.71 -1.02 1.96 -0.57 0.00 0.00 179.45 180.37 1ijk h GLN 661 N 1.03 0.71 -0.58 3.15 4.20 -1.76 -2.00 115.11 119.85 1ijk h GLN 661 Ca 0.27 -0.75 0.07 0.00 0.06 0.00 0.00 58.65 58.30 1ijk h GLN 661 Cb -0.05 0.21 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1ijk h GLN 661 CO -0.05 1.32 0.27 0.82 -0.67 0.00 0.00 178.83 180.52 1ijk h ILE 662 N 0.40 0.89 0.57 2.54 1.08 -0.62 -0.34 117.51 122.02 1ijk h ILE 662 Ca -0.12 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 64.15 1ijk h ILE 662 Cb 1.67 0.34 0.01 0.00 -3.07 0.00 0.00 36.82 35.77 1ijk h ILE 662 CO 0.20 0.09 -0.27 -0.09 -0.69 0.00 0.00 178.15 177.39 1ijk h ARG 663 N 0.50 -0.74 -0.68 2.37 2.43 -0.93 -2.35 114.38 114.97 1ijk h ARG 663 Ca 0.27 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.61 1ijk h ARG 663 Cb 0.24 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 29.88 1ijk h ARG 663 CO -0.22 -0.46 0.26 1.25 -1.51 0.00 0.00 179.97 179.29 1ijk h LEU 664 N -0.87 0.23 0.07 3.80 6.46 -1.03 -2.47 115.31 121.50 1ijk h LEU 664 Ca -0.08 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1ijk h LEU 664 Cb 0.63 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1ijk h LEU 664 CO 0.13 0.11 -0.03 0.40 -0.62 0.00 0.00 178.44 178.43 1ijk h ILE 665 N 0.42 0.94 -0.11 4.05 2.04 -1.01 -1.40 117.51 122.43 1ijk h ILE 665 Ca 0.36 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 66.23 1ijk h ILE 665 Cb 0.50 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1ijk h ILE 665 CO -0.36 0.01 0.26 -0.08 0.00 0.00 0.00 178.15 177.97 1ijk h GLU 666 N -0.10 0.00 0.00 2.37 4.81 -0.97 -3.00 114.58 117.68 1ijk h GLU 666 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ijk h GLU 666 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ijk h GLU 666 CO 0.02 0.00 -0.04 0.87 -0.73 0.00 0.00 179.01 179.13 1ijk h LYS 667 N 0.00 0.00 -0.21 1.92 1.79 -1.03 -3.40 116.57 115.64 1ijk h LYS 667 Ca 0.05 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.59 1ijk h LYS 667 Cb 0.58 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.19 1ijk h LYS 667 CO -0.00 0.00 0.03 1.04 -1.08 0.00 0.00 179.45 179.44 1ijk n GLN 668 N -2.72 -0.02 -4.30 3.15 1.13 -0.60 -4.15 117.38 109.87 1ijk n GLN 668 Ca -0.00 0.31 -0.19 0.00 -1.94 0.00 0.00 57.00 55.17 1ijk n GLN 668 Cb 0.02 -0.50 -0.13 0.00 0.11 0.00 0.00 30.24 29.74 1ijk n GLN 668 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ijk s ALA 669 N -4.79 1.02 0.21 -1.58 0.00 -1.25 -5.05 121.76 110.33 1ijk s ALA 669 Ca -0.02 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 1ijk s ALA 669 Cb 0.06 -0.15 0.15 0.00 0.00 0.00 0.00 23.12 23.19 1ijk s ALA 669 CO 0.16 0.18 1.79 -1.35 0.00 0.00 0.00 175.76 176.54 1ijk h PRO 670 N 5.00 1.14 -0.05 0.00 0.11 -1.84 -2.99 132.00 133.36 1ijk h PRO 670 Ca -0.37 -0.18 -0.10 0.00 0.11 0.00 0.00 66.00 65.46 1ijk h PRO 670 Cb 1.18 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1ijk h PRO 670 CO 0.44 0.90 -0.43 0.93 -0.21 0.00 0.00 178.00 179.63 1ijk h GLU 671 N 1.11 0.12 -6.07 1.05 5.08 -1.93 -3.43 114.58 110.50 1ijk h GLU 671 Ca 0.27 -0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 57.99 1ijk h GLU 671 Cb 0.15 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ijk h GLU 671 CO -0.03 0.53 1.43 -0.80 -1.00 0.00 0.00 179.01 179.13 1ijk s ASN 672 N -6.89 5.65 -0.05 1.42 0.01 -1.13 -4.95 114.94 108.99 1ijk s ASN 672 Ca -0.03 1.91 0.05 0.00 -0.71 0.00 0.00 52.86 54.08 1ijk s ASN 672 Cb 0.14 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.26 1ijk s ASN 672 CO 0.75 -1.80 -0.21 -0.75 -1.51 0.00 0.00 177.10 173.58 1ijk s LYS 673 N 6.00 2.50 0.05 -0.60 2.20 -1.26 -4.38 119.74 124.24 1ijk s LYS 673 Ca 0.96 -0.82 -0.07 0.00 -0.36 0.00 0.00 55.97 55.68 1ijk s LYS 673 Cb -0.33 -2.25 -0.05 0.00 -1.51 0.00 0.00 37.83 33.70 1ijk s LYS 673 CO 0.36 0.49 0.31 0.00 -0.36 0.00 0.00 175.35 176.15 1ijk s ALA 674 N -0.42 3.82 -0.24 3.13 0.00 -1.26 -3.61 121.76 123.18 1ijk s ALA 674 Ca 0.04 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 1ijk s ALA 674 Cb -0.12 -2.11 0.07 0.00 0.00 0.00 0.00 23.12 20.96 1ijk s ALA 674 CO 0.02 0.64 -0.01 -0.06 0.00 0.00 0.00 175.76 176.35 1ijk s PHE 675 N -1.40 2.09 -0.14 0.00 0.40 0.49 -5.00 117.98 114.42 1ijk s PHE 675 Ca 0.32 -1.62 -0.10 0.00 -0.60 0.00 0.00 56.93 54.93 1ijk s PHE 675 Cb -0.13 -1.54 -0.05 0.00 0.51 0.00 0.00 43.02 41.81 1ijk s PHE 675 CO 0.19 -0.76 0.19 0.08 0.70 0.00 0.00 175.22 175.62 1ijk s VAL 676 N 1.50 5.39 0.12 -0.44 1.01 -1.26 0.14 120.40 126.86 1ijk s VAL 676 Ca -0.02 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.33 1ijk s VAL 676 Cb -0.18 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1ijk s VAL 676 CO -0.09 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 174.64 1ijk s LEU 677 N -0.28 2.44 0.12 3.92 1.02 0.63 -4.92 118.68 121.60 1ijk s LEU 677 Ca 0.14 -0.87 -0.04 0.00 0.02 0.00 0.00 54.13 53.38 1ijk s LEU 677 Cb -0.12 -0.44 -0.14 0.00 0.02 0.00 0.00 46.19 45.51 1ijk s LEU 677 CO 0.03 -0.22 1.26 0.28 0.02 0.00 0.00 176.35 177.72 1ijk h SER 678 N 3.31 0.49 -1.85 2.29 0.02 -1.91 -2.41 113.55 113.49 1ijk h SER 678 Ca -0.38 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.12 1ijk h SER 678 Cb 1.19 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1ijk h SER 678 CO 0.55 1.25 0.10 -1.54 -1.14 0.00 0.00 176.83 176.05 1ijk n SER 679 N -3.68 -0.92 -0.06 3.07 3.41 -1.26 -3.53 113.62 110.64 1ijk n SER 679 Ca -0.07 -1.66 0.14 0.00 -0.26 0.00 0.00 58.87 57.03 1ijk n SER 679 Cb 0.89 1.54 0.82 0.00 -0.26 0.00 0.00 64.21 67.20 1ijk n SER 679 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1ijk n VAL 680 N -0.22 0.01 0.79 -3.33 0.24 -1.26 -2.98 118.33 111.58 1ijk n VAL 680 Ca -0.03 -0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.37 1ijk n VAL 680 Cb 0.24 -0.34 0.47 0.00 -1.47 0.00 0.00 33.84 32.74 1ijk n VAL 680 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ijk n ASP 681 N -0.82 0.47 0.00 -1.34 8.00 -1.26 -3.28 116.55 118.32 1ijk n ASP 681 Ca 0.22 0.49 0.11 0.00 0.71 0.00 0.00 54.79 56.31 1ijk n ASP 681 Cb 0.13 -0.59 -0.01 0.00 -0.02 0.00 0.00 41.12 40.64 1ijk n ASP 681 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ijk n GLU 682 N -1.92 0.03 -0.30 -1.24 1.02 -1.16 -4.26 120.64 112.82 1ijk n GLU 682 Ca 0.06 -0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 1ijk n GLU 682 Cb 0.39 -1.51 0.24 0.00 -0.02 0.00 0.00 31.44 30.54 1ijk n GLU 682 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ijk h LEU 683 N 0.00 0.50 0.04 -4.62 3.38 -1.73 0.22 115.31 113.10 1ijk h LEU 683 Ca 0.00 0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 1ijk h LEU 683 Cb 0.52 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ijk h LEU 683 CO 0.00 0.19 -1.45 -0.33 0.09 0.00 0.00 178.44 176.94 1ijk h GLU 684 N 0.59 0.08 0.00 1.13 4.39 -1.82 0.49 114.58 119.44 1ijk h GLU 684 Ca 0.48 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1ijk h GLU 684 Cb 0.71 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1ijk h GLU 684 CO -0.39 0.85 0.00 0.37 -1.16 0.00 0.00 179.01 178.69 1ijk h GLN 685 N 0.02 0.00 0.00 2.33 4.15 -1.41 -2.32 115.11 117.88 1ijk h GLN 685 Ca -0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.23 1ijk h GLN 685 Cb 1.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.63 1ijk h GLN 685 CO 0.12 0.00 -0.02 1.04 -1.93 0.00 0.00 178.83 178.04 1ijk n GLN 686 N -2.74 1.55 -0.05 1.69 6.02 0.67 -4.85 117.38 119.68 1ijk n GLN 686 Ca -0.02 -1.09 -0.11 0.00 -0.01 0.00 0.00 57.00 55.77 1ijk n GLN 686 Cb 0.10 -0.79 -0.04 0.00 1.02 0.00 0.00 30.24 30.53 1ijk n GLN 686 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1ijk h ARG 687 N 0.00 0.27 -0.87 -1.09 2.43 0.59 -2.86 114.38 112.84 1ijk h ARG 687 Ca 0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1ijk h ARG 687 Cb 0.76 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1ijk h ARG 687 CO 0.00 0.29 0.47 -0.44 -1.51 0.00 0.00 179.97 178.78 1ijk h ASP 688 N 0.18 1.09 -0.12 -3.80 3.32 -1.85 -1.44 116.42 113.80 1ijk h ASP 688 Ca 0.06 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1ijk h ASP 688 Cb 0.11 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1ijk h ASP 688 CO -0.01 0.89 0.04 -0.08 -1.72 0.00 0.00 179.24 178.35 1ijk h GLU 689 N 1.22 0.19 -0.48 3.56 4.81 -1.92 -0.89 114.58 121.07 1ijk h GLU 689 Ca 0.31 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1ijk h GLU 689 Cb 0.04 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1ijk h GLU 689 CO -0.05 0.33 0.31 0.82 -0.73 0.00 0.00 179.01 179.69 1ijk h ILE 690 N 0.01 1.10 -0.45 2.32 2.04 -1.34 0.21 117.51 121.41 1ijk h ILE 690 Ca 0.04 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 1ijk h ILE 690 Cb 0.22 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1ijk h ILE 690 CO -0.00 0.11 0.01 0.58 0.00 0.00 0.00 178.15 178.86 1ijk h VAL 691 N 0.63 1.26 -0.08 1.67 2.07 -1.22 -2.09 116.25 118.49 1ijk h VAL 691 Ca 0.18 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1ijk h VAL 691 Cb -0.05 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1ijk h VAL 691 CO -0.05 0.35 0.04 -1.28 0.02 0.00 0.00 177.57 176.65 1ijk h SER 692 N 0.63 0.10 0.41 0.57 0.87 -0.90 -2.19 113.55 113.03 1ijk h SER 692 Ca 0.13 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1ijk h SER 692 Cb 0.48 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1ijk h SER 692 CO 0.02 0.20 -0.46 0.22 -0.53 0.00 0.00 176.83 176.28 1ijk h TYR 693 N -0.01 -1.28 0.00 2.24 3.20 -0.48 -2.52 116.97 118.13 1ijk h TYR 693 Ca 0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1ijk h TYR 693 Cb 0.13 0.51 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1ijk h TYR 693 CO -0.03 -0.61 0.00 1.47 -1.64 0.00 0.00 178.16 177.35 1ijk n LEU 694 N -5.53 0.00 0.04 2.82 -0.00 -0.80 -2.30 117.00 111.23 1ijk n LEU 694 Ca -0.11 0.16 -0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1ijk n LEU 694 Cb 0.43 -0.16 -0.08 0.00 -0.00 0.00 0.00 43.42 43.61 1ijk n LEU 694 CO 0.26 -0.04 -0.25 0.00 -0.00 0.00 0.00 177.39 177.36 1ijk n ASP 696 N -2.92 0.44 -0.30 0.00 8.00 -0.97 -2.81 116.55 117.99 1ijk n ASP 696 Ca -0.09 -1.90 0.07 0.00 0.71 0.00 0.00 54.79 53.59 1ijk n ASP 696 Cb 0.84 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.87 1ijk n ASP 696 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ijk n LEU 697 N -0.31 1.45 -4.81 0.64 4.32 -1.24 -4.97 117.00 112.08 1ijk n LEU 697 Ca 0.05 -0.73 -0.32 0.00 -0.02 0.00 0.00 56.01 54.99 1ijk n LEU 697 Cb 0.08 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.82 1ijk n LEU 697 CO 0.04 0.28 -0.23 0.00 -1.22 0.00 0.00 177.39 176.26 1ijk s ALA 698 N -1.91 3.67 1.13 -1.18 0.00 -1.12 -4.76 121.76 117.59 1ijk s ALA 698 Ca 0.12 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 1ijk s ALA 698 Cb 0.12 -1.59 0.27 0.00 0.00 0.00 0.00 23.12 21.91 1ijk s ALA 698 CO 0.42 0.73 1.03 -2.30 0.00 0.00 0.00 175.76 175.64 1ijk n PRO 699 N 0.82 -2.14 0.00 0.00 -0.02 -1.25 -4.79 135.00 127.63 1ijk n PRO 699 Ca -0.10 -0.59 0.15 0.00 -2.02 0.00 0.00 63.50 60.94 1ijk n PRO 699 Cb 0.52 -2.20 0.80 0.00 -0.02 0.00 0.00 33.50 32.60 1ijk n PRO 699 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87