#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j97 s LYS 504 N 0.00 4.37 0.57 1.97 1.02 -1.26 -5.03 119.74 121.38 1j97 s LYS 504 Ca 0.00 0.88 -0.19 0.00 0.02 0.00 0.00 55.97 56.67 1j97 s LYS 504 Cb 0.00 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 1j97 s LYS 504 CO 0.00 0.44 1.18 0.15 -0.92 0.00 0.00 175.35 176.20 1j97 s LYS 505 N -0.49 3.13 0.11 1.68 -0.14 -1.26 -5.03 119.74 117.73 1j97 s LYS 505 Ca 0.33 1.75 0.04 0.00 -1.36 0.00 0.00 55.97 56.73 1j97 s LYS 505 Cb -0.20 -1.97 -0.04 0.00 -1.68 0.00 0.00 37.83 33.95 1j97 s LYS 505 CO 0.20 -1.06 -0.11 0.15 -0.76 0.00 0.00 175.35 173.77 1j97 s LYS 506 N -3.30 0.89 -0.01 1.68 1.02 -1.22 -4.71 119.74 114.10 1j97 s LYS 506 Ca 0.75 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 55.55 1j97 s LYS 506 Cb -0.28 -0.59 0.00 0.00 -0.52 0.00 0.00 37.83 36.44 1j97 s LYS 506 CO 0.31 0.09 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.63 1j97 s LEU 507 N -2.52 1.82 -0.05 3.17 2.96 -0.62 -0.88 118.68 122.56 1j97 s LEU 507 Ca 0.07 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 1j97 s LEU 507 Cb -0.03 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.47 1j97 s LEU 507 CO 0.00 0.01 -0.11 -0.51 -1.32 0.00 0.00 176.35 174.43 1j97 s ILE 508 N 0.17 1.02 -0.12 6.68 2.07 -0.32 -0.85 121.20 129.85 1j97 s ILE 508 Ca -0.01 -0.44 -0.02 0.00 -1.41 0.00 0.00 60.65 58.76 1j97 s ILE 508 Cb -0.04 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 1j97 s ILE 508 CO -0.00 0.32 -0.05 -0.76 -1.91 0.00 0.00 174.94 172.53 1j97 s LEU 509 N 0.48 3.20 0.00 8.50 1.02 0.35 -1.09 118.68 131.14 1j97 s LEU 509 Ca -0.10 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 53.95 1j97 s LEU 509 Cb -0.13 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.34 1j97 s LEU 509 CO 0.02 0.24 0.00 0.49 0.02 0.00 0.00 176.35 177.12 1j97 n PHE 510 N 3.07 0.00 0.00 0.29 3.72 0.15 -0.86 117.46 123.84 1j97 n PHE 510 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1j97 n PHE 510 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1j97 n PHE 510 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1j97 n PHE 512 N 0.00 0.00 -1.77 1.38 7.35 -1.25 -1.10 117.46 122.07 1j97 n PHE 512 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1j97 n PHE 512 Cb 0.00 0.11 -0.03 0.00 0.35 0.00 0.00 39.48 39.91 1j97 n PHE 512 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1j97 s ASP 513 N -2.84 6.50 0.00 -2.13 1.01 -1.26 -1.37 116.67 116.58 1j97 s ASP 513 Ca 0.00 2.60 0.00 0.00 0.71 0.00 0.00 52.55 55.86 1j97 s ASP 513 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1j97 s ASP 513 CO 0.00 -1.00 0.00 -1.20 0.21 0.00 0.00 175.17 173.18 1j97 n SER 514 N 6.76 0.00 0.00 0.27 7.64 -0.52 -4.81 113.62 122.96 1j97 n SER 514 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1j97 n SER 514 Cb 0.41 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1j97 n SER 514 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1j97 n THR 515 N -2.00 0.00 0.05 0.44 -1.04 -0.47 -4.81 114.28 106.44 1j97 n THR 515 Ca 0.00 0.03 -0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1j97 n THR 515 Cb 0.00 -0.74 0.26 0.00 -1.82 0.00 0.00 70.33 68.03 1j97 n THR 515 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1j97 h LEU 516 N 0.00 0.39 -9.38 -4.42 5.85 -1.61 -3.42 115.31 102.71 1j97 h LEU 516 Ca 0.00 -0.12 -0.58 0.00 0.84 0.00 0.00 57.88 58.02 1j97 h LEU 516 Cb 0.00 -0.10 -0.12 0.00 0.37 0.00 0.00 40.66 40.81 1j97 h LEU 516 CO 0.00 0.62 -0.70 0.68 -0.34 0.00 0.00 178.44 178.69 1j97 s VAL 517 N -4.56 2.94 0.27 1.05 -7.23 -0.83 -1.03 120.40 111.01 1j97 s VAL 517 Ca -0.06 -2.16 0.09 0.00 -1.81 0.00 0.00 61.98 58.03 1j97 s VAL 517 Cb 0.14 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1j97 s VAL 517 CO 0.77 -0.38 1.62 0.78 -0.31 0.00 0.00 175.10 177.58 1j97 h ASN 518 N 2.07 0.10 -3.29 4.85 2.35 -1.48 -2.33 115.58 117.86 1j97 h ASN 518 Ca -0.42 -0.05 -0.47 0.00 -0.55 0.00 0.00 56.30 54.81 1j97 h ASN 518 Cb 1.25 -0.03 0.05 0.00 0.05 0.00 0.00 38.32 39.64 1j97 h ASN 518 CO 0.60 0.65 0.07 0.20 -1.65 0.00 0.00 177.43 177.31 1j97 s ASN 519 N -6.87 5.67 -0.39 5.81 -0.87 -1.26 -4.34 114.94 112.69 1j97 s ASN 519 Ca -0.02 0.54 -0.10 0.00 -1.57 0.00 0.00 52.86 51.71 1j97 s ASN 519 Cb 0.13 -1.62 0.05 0.00 -0.02 0.00 0.00 41.25 39.79 1j97 s ASN 519 CO 0.77 -0.94 0.22 -1.61 -2.57 0.00 0.00 177.10 172.97 1j97 s GLU 520 N -4.83 2.72 0.26 -0.60 0.41 -1.26 -1.44 118.70 113.96 1j97 s GLU 520 Ca 0.52 -1.24 -0.02 0.00 -0.41 0.00 0.00 54.97 53.81 1j97 s GLU 520 Cb -0.10 -3.72 0.53 0.00 -1.78 0.00 0.00 34.13 29.05 1j97 s GLU 520 CO 0.42 -0.80 1.70 1.15 -0.49 0.00 0.00 175.26 177.25 1j97 h THR 521 N 5.99 0.55 -0.36 3.63 2.02 -1.97 -1.42 112.91 121.35 1j97 h THR 521 Ca -0.24 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 1j97 h THR 521 Cb 1.09 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1j97 h THR 521 CO 0.70 0.07 -0.10 -0.29 0.37 0.00 0.00 175.52 176.26 1j97 h ILE 522 N 0.36 1.24 -0.13 3.11 6.09 -1.99 -1.32 117.51 124.87 1j97 h ILE 522 Ca 0.45 -1.05 -0.13 0.00 -1.37 0.00 0.00 64.86 62.76 1j97 h ILE 522 Cb 0.77 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 39.13 1j97 h ILE 522 CO -0.48 0.35 -0.51 0.44 -3.07 0.00 0.00 178.15 174.88 1j97 h ASP 523 N 0.56 0.37 -0.31 2.19 3.32 -1.66 -0.74 116.42 120.14 1j97 h ASP 523 Ca 0.10 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1j97 h ASP 523 Cb 0.51 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1j97 h ASP 523 CO 0.03 0.82 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.88 1j97 h GLU 524 N 0.27 0.66 -0.74 3.56 4.39 -0.64 -1.77 114.58 120.31 1j97 h GLU 524 Ca 0.01 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 1j97 h GLU 524 Cb 0.99 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 1j97 h GLU 524 CO 0.08 0.88 0.26 0.82 -1.16 0.00 0.00 179.01 179.90 1j97 h ILE 525 N 0.42 1.26 -0.61 3.13 2.04 -1.20 -2.52 117.51 120.03 1j97 h ILE 525 Ca 0.07 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.10 1j97 h ILE 525 Cb 0.69 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1j97 h ILE 525 CO 0.05 0.34 0.41 0.00 0.00 0.00 0.00 178.15 178.94 1j97 h ALA 526 N 1.19 1.62 -0.84 1.87 0.00 -0.88 -1.13 119.26 121.09 1j97 h ALA 526 Ca 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1j97 h ALA 526 Cb 0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1j97 h ALA 526 CO -0.01 0.33 0.55 -0.09 0.00 0.00 0.00 179.25 180.03 1j97 h ARG 527 N 0.78 1.10 0.00 0.00 2.43 -0.88 -0.47 114.38 117.34 1j97 h ARG 527 Ca 0.24 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1j97 h ARG 527 Cb -0.01 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1j97 h ARG 527 CO -0.06 0.74 -0.19 0.93 -1.51 0.00 0.00 179.97 179.88 1j97 h GLU 528 N 1.13 0.00 -0.12 0.20 4.39 -1.08 -1.96 114.58 117.15 1j97 h GLU 528 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1j97 h GLU 528 Cb -0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1j97 h GLU 528 CO -0.06 0.19 0.00 0.00 -1.16 0.00 0.00 179.01 177.97 1j97 n ALA 529 N -2.29 2.53 -1.43 3.43 0.00 -0.66 -4.95 120.51 117.14 1j97 n ALA 529 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.80 1j97 n ALA 529 Cb 0.32 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1j97 n ALA 529 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j97 n GLY 530 N 1.20 0.80 1.60 0.00 0.00 -0.65 -4.92 105.19 103.21 1j97 n GLY 530 Ca 0.17 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 1j97 n GLY 530 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1j97 n VAL 531 N -3.03 1.43 -0.03 1.61 0.24 -0.28 -4.91 118.33 113.36 1j97 n VAL 531 Ca -0.08 -2.71 -0.09 0.00 -2.04 0.00 0.00 64.34 59.42 1j97 n VAL 531 Cb 0.33 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 1j97 n VAL 531 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1j97 h GLU 532 N 1.56 0.06 -0.71 7.34 4.81 -1.82 -1.71 114.58 124.11 1j97 h GLU 532 Ca -0.02 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1j97 h GLU 532 Cb 1.43 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 1j97 h GLU 532 CO 0.22 0.04 0.22 0.93 -0.73 0.00 0.00 179.01 179.69 1j97 h GLU 533 N 0.06 1.10 -0.31 1.92 4.39 -1.92 0.10 114.58 119.92 1j97 h GLU 533 Ca 0.08 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 1j97 h GLU 533 Cb 0.09 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1j97 h GLU 533 CO -0.13 0.94 0.09 1.49 -1.16 0.00 0.00 179.01 180.24 1j97 h GLU 534 N 1.04 0.49 -0.31 2.33 4.81 -1.93 -2.37 114.58 118.65 1j97 h GLU 534 Ca 0.23 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.19 1j97 h GLU 534 Cb 0.30 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1j97 h GLU 534 CO -0.01 0.55 -0.43 0.28 -0.73 0.00 0.00 179.01 178.67 1j97 h VAL 535 N 0.34 1.28 -0.98 0.32 2.07 -1.17 -3.00 116.25 115.11 1j97 h VAL 535 Ca 0.10 -1.61 0.11 0.00 0.82 0.00 0.00 66.70 66.12 1j97 h VAL 535 Cb 0.27 1.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.53 1j97 h VAL 535 CO -0.00 0.52 0.62 0.11 0.02 0.00 0.00 177.57 178.85 1j97 h LYS 536 N 0.61 0.94 -0.40 1.57 1.57 -0.69 0.36 116.57 120.53 1j97 h LYS 536 Ca 0.03 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1j97 h LYS 536 Cb 1.02 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1j97 h LYS 536 CO 0.10 0.62 0.15 -0.22 -0.57 0.00 0.00 179.45 179.53 1j97 h LYS 537 N 0.97 0.60 -0.53 3.15 3.64 -1.36 -0.18 116.57 122.87 1j97 h LYS 537 Ca 0.47 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.63 1j97 h LYS 537 Cb 0.47 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1j97 h LYS 537 CO -0.24 0.58 -0.09 0.82 -2.27 0.00 0.00 179.45 178.26 1j97 h ILE 538 N 0.50 1.27 -0.73 2.00 2.04 -1.24 -1.66 117.51 119.68 1j97 h ILE 538 Ca 0.13 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1j97 h ILE 538 Cb 0.21 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1j97 h ILE 538 CO -0.01 0.44 0.46 0.74 0.00 0.00 0.00 178.15 179.78 1j97 h THR 539 N 0.88 1.20 -0.20 -0.27 2.02 -0.78 0.03 112.91 115.78 1j97 h THR 539 Ca 0.14 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1j97 h THR 539 Cb 0.65 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1j97 h THR 539 CO 0.04 0.20 0.08 0.50 0.37 0.00 0.00 175.52 176.72 1j97 h LYS 540 N 1.00 0.30 -0.94 6.66 3.64 -0.86 -0.46 116.57 125.92 1j97 h LYS 540 Ca 0.27 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1j97 h LYS 540 Cb -0.07 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 1j97 h LYS 540 CO -0.05 0.36 0.61 0.93 -2.27 0.00 0.00 179.45 179.03 1j97 h GLU 541 N 0.18 1.24 -0.41 1.90 5.08 -1.06 -1.12 114.58 120.39 1j97 h GLU 541 Ca 0.07 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1j97 h GLU 541 Cb 0.17 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1j97 h GLU 541 CO -0.01 0.83 0.08 0.00 -1.00 0.00 0.00 179.01 178.91 1j97 h ALA 542 N 1.34 0.54 0.00 3.43 0.00 -0.72 -0.48 119.26 123.37 1j97 h ALA 542 Ca 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1j97 h ALA 542 Cb -0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1j97 h ALA 542 CO -0.07 0.25 -0.06 0.52 0.00 0.00 0.00 179.25 179.88 1j97 h MET 543 N 0.53 0.00 -0.00 0.00 2.86 -0.76 -1.49 114.93 116.07 1j97 h MET 543 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1j97 h MET 543 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1j97 h MET 543 CO 0.01 0.06 -0.11 0.39 1.06 0.00 0.00 176.91 178.32 1j97 n GLU 544 N -3.18 0.28 -0.77 1.72 1.02 -0.45 -0.64 120.64 118.62 1j97 n GLU 544 Ca 0.01 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1j97 n GLU 544 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1j97 n GLU 544 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j97 n GLY 545 N 1.40 0.53 0.24 0.62 0.00 -0.56 -4.61 105.19 102.80 1j97 n GLY 545 Ca 0.10 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.45 1j97 n GLY 545 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j97 n LYS 546 N -2.77 0.73 -4.08 1.61 5.02 -0.22 -4.90 118.16 113.55 1j97 n LYS 546 Ca 0.00 -0.47 -0.10 0.00 -2.02 0.00 0.00 58.31 55.72 1j97 n LYS 546 Cb 0.00 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.41 1j97 n LYS 546 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j97 s LEU 547 N -2.60 2.37 0.12 -0.35 1.43 -1.24 -4.94 118.68 113.47 1j97 s LEU 547 Ca 0.21 -0.76 -0.31 0.00 -1.03 0.00 0.00 54.13 52.23 1j97 s LEU 547 Cb 0.19 0.01 -0.08 0.00 0.03 0.00 0.00 46.19 46.33 1j97 s LEU 547 CO 0.57 -0.39 1.42 0.21 0.23 0.00 0.00 176.35 178.39 1j97 s ASN 548 N -2.24 6.79 0.09 2.29 3.84 -1.26 -4.80 114.94 119.65 1j97 s ASN 548 Ca -0.02 2.36 -0.27 0.00 0.21 0.00 0.00 52.86 55.15 1j97 s ASN 548 Cb -0.02 -2.59 -0.13 0.00 -0.55 0.00 0.00 41.25 37.97 1j97 s ASN 548 CO -0.04 -0.68 1.67 0.15 -2.79 0.00 0.00 177.10 175.41 1j97 h PHE 549 N 6.86 -0.50 -0.29 0.43 3.57 -1.91 -1.52 116.94 123.58 1j97 h PHE 549 Ca -0.42 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.11 1j97 h PHE 549 Cb 1.21 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 1j97 h PHE 549 CO 0.66 -0.29 0.08 1.49 -2.23 0.00 0.00 178.31 178.03 1j97 h GLU 550 N -0.43 0.20 -0.84 1.11 4.81 -1.92 -0.29 114.58 117.22 1j97 h GLU 550 Ca -0.01 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1j97 h GLU 550 Cb 0.39 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1j97 h GLU 550 CO -0.02 0.13 0.55 1.96 -0.73 0.00 0.00 179.01 180.89 1j97 h GLN 551 N 0.20 1.11 -0.51 1.92 4.20 -1.92 -0.91 115.11 119.21 1j97 h GLN 551 Ca 0.13 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1j97 h GLN 551 Cb 0.11 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1j97 h GLN 551 CO -0.15 0.74 0.12 0.66 -0.67 0.00 0.00 178.83 179.54 1j97 h SER 552 N 1.14 0.72 -0.20 1.46 4.64 -0.63 0.09 113.55 120.77 1j97 h SER 552 Ca 0.31 -0.12 -0.16 0.00 -0.47 0.00 0.00 61.79 61.34 1j97 h SER 552 Cb -0.11 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 1j97 h SER 552 CO -0.06 0.71 -0.50 0.25 -0.87 0.00 0.00 176.83 176.36 1j97 h LEU 553 N 0.75 0.79 -0.93 5.97 5.85 -0.70 -1.82 115.31 125.22 1j97 h LEU 553 Ca 0.17 -0.57 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 1j97 h LEU 553 Cb 0.28 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1j97 h LEU 553 CO -0.00 1.22 0.21 0.03 -0.34 0.00 0.00 178.44 179.56 1j97 h ARG 554 N 0.39 0.99 -0.57 1.25 3.08 -0.88 0.60 114.38 119.25 1j97 h ARG 554 Ca -0.01 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 1j97 h ARG 554 Cb 1.12 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1j97 h ARG 554 CO 0.11 0.84 0.20 -0.22 -1.07 0.00 0.00 179.97 179.83 1j97 h LYS 555 N 0.96 0.87 -0.34 0.04 3.64 -0.92 -0.82 116.57 120.00 1j97 h LYS 555 Ca 0.22 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1j97 h LYS 555 Cb 0.26 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1j97 h LYS 555 CO -0.01 0.77 -0.13 0.00 -2.27 0.00 0.00 179.45 177.81 1j97 h ARG 556 N 0.79 0.69 0.00 1.90 3.08 -0.93 -3.02 114.38 116.88 1j97 h ARG 556 Ca 0.19 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1j97 h ARG 556 Cb 0.25 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1j97 h ARG 556 CO -0.01 0.88 -0.39 0.28 -1.07 0.00 0.00 179.97 179.66 1j97 h VAL 557 N 0.48 1.17 -0.37 2.04 2.07 -0.72 -2.03 116.25 118.88 1j97 h VAL 557 Ca 0.08 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1j97 h VAL 557 Cb 0.65 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1j97 h VAL 557 CO 0.04 0.38 0.18 -1.28 0.02 0.00 0.00 177.57 176.91 1j97 h SER 558 N 0.00 0.46 0.50 0.57 0.87 -1.02 -0.79 113.55 114.14 1j97 h SER 558 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1j97 h SER 558 Cb 0.73 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1j97 h SER 558 CO 0.05 0.40 0.00 0.18 -0.53 0.00 0.00 176.83 176.93 1j97 n LEU 559 N -4.41 0.61 -0.95 2.23 4.77 -0.76 -2.24 117.00 116.24 1j97 n LEU 559 Ca 0.02 0.68 0.11 0.00 -0.03 0.00 0.00 56.01 56.80 1j97 n LEU 559 Cb 0.12 -0.64 0.27 0.00 -2.33 0.00 0.00 43.42 40.83 1j97 n LEU 559 CO 0.36 -0.66 0.72 0.18 -1.33 0.00 0.00 177.39 176.67 1j97 n LEU 560 N -2.21 2.83 -4.61 2.23 4.77 -0.30 -4.98 117.00 114.73 1j97 n LEU 560 Ca 0.01 -1.22 -0.49 0.00 -0.03 0.00 0.00 56.01 54.28 1j97 n LEU 560 Cb 0.17 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1j97 n LEU 560 CO 0.16 0.61 0.88 1.17 -1.33 0.00 0.00 177.39 178.88 1j97 n LYS 561 N 1.08 1.42 -0.93 3.23 4.81 -0.95 -1.74 118.16 125.07 1j97 n LYS 561 Ca 0.18 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1j97 n LYS 561 Cb 0.51 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1j97 n LYS 561 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j97 n ASP 562 N 2.36 -1.57 -4.70 3.14 8.00 0.71 -4.94 116.55 119.54 1j97 n ASP 562 Ca 0.16 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 1j97 n ASP 562 Cb 0.25 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.49 1j97 n ASP 562 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1j97 s LEU 563 N 0.00 4.35 0.52 0.64 2.96 -0.71 -4.59 118.68 121.84 1j97 s LEU 563 Ca 0.00 2.34 -0.22 0.00 -0.22 0.00 0.00 54.13 56.03 1j97 s LEU 563 Cb 0.00 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.06 1j97 s LEU 563 CO 0.00 -0.76 1.31 -2.84 -1.32 0.00 0.00 176.35 172.74 1j97 s PRO 564 N 1.90 3.35 0.45 0.98 0.02 -1.26 -1.02 135.00 139.41 1j97 s PRO 564 Ca 0.67 2.11 0.13 0.00 0.02 0.00 0.00 61.00 63.94 1j97 s PRO 564 Cb -0.37 -2.32 1.04 0.00 0.02 0.00 0.00 34.50 32.86 1j97 s PRO 564 CO 0.30 -0.98 2.03 0.82 -0.33 0.00 0.00 177.00 178.83 1j97 h ILE 565 N 1.62 0.97 -0.95 2.83 1.08 -1.09 -0.98 117.51 120.98 1j97 h ILE 565 Ca -0.50 -0.13 0.12 0.00 -0.39 0.00 0.00 64.86 63.96 1j97 h ILE 565 Cb 1.28 0.57 -0.08 0.00 -3.07 0.00 0.00 36.82 35.52 1j97 h ILE 565 CO 0.58 0.07 0.58 1.05 -0.69 0.00 0.00 178.15 179.74 1j97 h GLU 566 N 0.37 0.89 -0.00 2.37 4.11 -1.90 0.54 114.58 120.95 1j97 h GLU 566 Ca 0.19 -0.05 -0.23 0.00 0.07 0.00 0.00 59.36 59.34 1j97 h GLU 566 Cb 0.30 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1j97 h GLU 566 CO -0.05 0.59 -0.95 0.87 0.07 0.00 0.00 179.01 179.54 1j97 h LYS 567 N 0.91 0.46 -0.77 1.06 1.57 -1.56 -2.29 116.57 115.95 1j97 h LYS 567 Ca 0.47 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1j97 h LYS 567 Cb 0.49 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1j97 h LYS 567 CO -0.27 1.14 0.46 0.28 -0.57 0.00 0.00 179.45 180.48 1j97 h VAL 568 N 0.26 1.22 -0.30 0.50 2.07 -0.91 -2.17 116.25 116.92 1j97 h VAL 568 Ca -0.08 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1j97 h VAL 568 Cb 1.58 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1j97 h VAL 568 CO 0.17 0.23 -0.15 -0.33 0.02 0.00 0.00 177.57 177.51 1j97 h GLU 569 N 1.05 0.53 -0.72 1.57 4.39 -0.79 -1.02 114.58 119.59 1j97 h GLU 569 Ca 0.27 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 1j97 h GLU 569 Cb -0.03 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1j97 h GLU 569 CO -0.05 0.66 0.28 0.87 -1.16 0.00 0.00 179.01 179.61 1j97 h LYS 570 N 0.48 1.09 -0.13 2.33 1.57 -0.94 -0.64 116.57 120.33 1j97 h LYS 570 Ca 0.09 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1j97 h LYS 570 Cb 0.54 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1j97 h LYS 570 CO 0.03 0.90 0.05 0.00 -0.57 0.00 0.00 179.45 179.87 1j97 h ALA 571 N 1.14 0.17 -0.47 3.86 0.00 -1.01 -2.99 119.26 119.95 1j97 h ALA 571 Ca 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1j97 h ALA 571 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1j97 h ALA 571 CO -0.02 -0.25 0.25 0.82 0.00 0.00 0.00 179.25 180.05 1j97 h ILE 572 N 0.06 1.15 0.00 0.00 2.04 -0.89 -1.77 117.51 118.09 1j97 h ILE 572 Ca 0.04 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1j97 h ILE 572 Cb 0.16 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1j97 h ILE 572 CO -0.00 0.16 0.00 0.29 0.00 0.00 0.00 178.15 178.60 1j97 n LYS 573 N -4.41 0.17 0.00 2.37 5.02 -0.27 -1.55 118.16 119.48 1j97 n LYS 573 Ca 0.04 0.48 0.13 0.00 -2.02 0.00 0.00 58.31 56.93 1j97 n LYS 573 Cb 0.10 -1.87 0.40 0.00 -0.02 0.00 0.00 35.03 33.64 1j97 n LYS 573 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j97 n ARG 574 N -2.20 0.06 -2.21 1.97 1.74 -0.67 -4.88 116.66 110.47 1j97 n ARG 574 Ca 0.01 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 1j97 n ARG 574 Cb 0.17 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 1j97 n ARG 574 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j97 s ILE 575 N -2.96 3.47 0.04 0.55 1.01 -0.59 -5.00 121.20 117.71 1j97 s ILE 575 Ca 0.13 1.03 0.06 0.00 0.00 0.00 0.00 60.65 61.87 1j97 s ILE 575 Cb 0.18 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1j97 s ILE 575 CO 0.62 0.06 -0.16 0.42 0.00 0.00 0.00 174.94 175.88 1j97 s THR 576 N 1.34 1.31 0.46 2.92 -4.23 -1.26 -5.05 115.64 111.13 1j97 s THR 576 Ca 0.64 -1.06 -0.25 0.00 -1.18 0.00 0.00 61.69 59.84 1j97 s THR 576 Cb -0.35 -1.17 -0.08 0.00 1.34 0.00 0.00 72.50 72.25 1j97 s THR 576 CO 0.29 0.09 1.34 -2.84 -0.54 0.00 0.00 174.62 172.96 1j97 s PRO 577 N -1.13 3.68 0.63 3.99 0.02 -1.26 -1.37 135.00 139.56 1j97 s PRO 577 Ca 0.04 2.22 -0.18 0.00 0.02 0.00 0.00 61.00 63.10 1j97 s PRO 577 Cb -0.08 -2.58 -0.02 0.00 0.02 0.00 0.00 34.50 31.84 1j97 s PRO 577 CO 0.01 -0.75 1.27 0.99 -0.33 0.00 0.00 177.00 178.19 1j97 s THR 578 N -1.28 2.21 0.16 0.99 2.01 -0.20 -4.62 115.64 114.91 1j97 s THR 578 Ca 0.62 0.13 -0.34 0.00 0.31 0.00 0.00 61.69 62.41 1j97 s THR 578 Cb -0.39 -3.05 -0.15 0.00 0.01 0.00 0.00 72.50 68.91 1j97 s THR 578 CO 0.50 -0.03 1.30 1.21 -0.69 0.00 0.00 174.62 176.91 1j97 n GLU 579 N -1.78 1.42 -0.78 4.92 2.13 -1.26 -1.31 120.64 123.98 1j97 n GLU 579 Ca 0.15 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1j97 n GLU 579 Cb 0.48 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1j97 n GLU 579 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j97 n GLY 580 N 2.32 0.94 0.12 8.31 0.00 -1.26 -0.82 105.19 114.80 1j97 n GLY 580 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1j97 n GLY 580 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j97 h ALA 581 N 0.00 -0.07 -0.29 4.61 0.00 -1.54 -0.37 119.26 121.61 1j97 h ALA 581 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1j97 h ALA 581 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1j97 h ALA 581 CO 0.00 -0.56 0.16 0.93 0.00 0.00 0.00 179.25 179.78 1j97 h GLU 582 N -0.13 0.40 -0.91 0.00 5.08 -1.93 0.02 114.58 117.11 1j97 h GLU 582 Ca 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1j97 h GLU 582 Cb 0.17 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1j97 h GLU 582 CO -0.09 0.34 0.52 0.93 -1.00 0.00 0.00 179.01 179.71 1j97 h GLU 583 N 0.35 1.25 -0.21 2.33 3.07 -1.95 -1.30 114.58 118.12 1j97 h GLU 583 Ca 0.10 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1j97 h GLU 583 Cb 0.06 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 27.71 1j97 h GLU 583 CO -0.02 0.90 -0.14 1.15 -1.40 0.00 0.00 179.01 179.50 1j97 h THR 584 N 1.27 1.32 -0.87 1.13 2.02 -0.72 -2.03 112.91 115.02 1j97 h THR 584 Ca 0.32 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 1j97 h THR 584 Cb -0.01 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1j97 h THR 584 CO -0.06 0.38 0.47 0.40 0.37 0.00 0.00 175.52 177.08 1j97 h ILE 585 N 0.16 1.25 -0.27 3.11 1.08 -0.78 -0.61 117.51 121.44 1j97 h ILE 585 Ca 0.04 -0.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 1j97 h ILE 585 Cb 0.65 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1j97 h ILE 585 CO 0.04 0.29 0.15 0.50 -0.69 0.00 0.00 178.15 178.43 1j97 h LYS 586 N 1.21 0.38 -0.60 2.37 3.64 -1.16 -0.50 116.57 121.91 1j97 h LYS 586 Ca 0.30 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.55 1j97 h LYS 586 Cb 0.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1j97 h LYS 586 CO -0.05 0.33 0.03 1.49 -2.27 0.00 0.00 179.45 178.99 1j97 h GLU 587 N 0.32 1.02 -0.56 1.90 4.57 -1.14 -0.60 114.58 120.10 1j97 h GLU 587 Ca 0.10 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1j97 h GLU 587 Cb 0.07 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1j97 h GLU 587 CO -0.02 0.98 0.30 -0.07 -1.18 0.00 0.00 179.01 179.03 1j97 h LEU 588 N 0.95 0.70 -0.87 1.64 3.38 -0.83 -0.59 115.31 119.70 1j97 h LEU 588 Ca 0.18 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1j97 h LEU 588 Cb 0.50 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1j97 h LEU 588 CO 0.02 0.60 0.25 0.11 0.09 0.00 0.00 178.44 179.51 1j97 h LYS 589 N 0.75 1.08 -0.00 1.13 1.57 -0.76 -1.37 116.57 118.97 1j97 h LYS 589 Ca 0.20 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1j97 h LYS 589 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1j97 h LYS 589 CO -0.03 0.91 -0.19 -0.91 -0.57 0.00 0.00 179.45 178.66 1j97 h ASN 590 N 1.05 0.01 -0.04 0.86 4.21 -0.47 -1.59 115.58 119.61 1j97 h ASN 590 Ca 0.24 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 1j97 h ASN 590 Cb 0.26 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1j97 h ASN 590 CO -0.01 0.19 0.00 0.54 -1.29 0.00 0.00 177.43 176.86 1j97 n ARG 591 N -4.31 1.26 -0.70 0.81 1.74 -0.29 -4.90 116.66 110.27 1j97 n ARG 591 Ca -0.02 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.67 1j97 n ARG 591 Cb 0.25 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1j97 n ARG 591 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j97 n GLY 592 N 0.97 1.13 3.88 -0.13 0.00 -0.60 -4.99 105.19 105.46 1j97 n GLY 592 Ca 0.18 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1j97 n GLY 592 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j97 s TYR 593 N -2.00 3.59 0.05 1.61 2.02 -0.56 -3.40 117.35 118.66 1j97 s TYR 593 Ca 0.00 0.56 -0.25 0.00 -0.37 0.00 0.00 57.07 57.01 1j97 s TYR 593 Cb 0.00 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.53 1j97 s TYR 593 CO 0.00 0.66 0.78 0.08 -1.57 0.00 0.00 175.55 175.50 1j97 s VAL 594 N -1.21 4.73 -0.13 0.71 1.01 -0.06 -4.38 120.40 121.07 1j97 s VAL 594 Ca 0.24 1.67 0.02 0.00 0.00 0.00 0.00 61.98 63.91 1j97 s VAL 594 Cb -0.13 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1j97 s VAL 594 CO 0.13 0.35 -0.20 -0.69 0.00 0.00 0.00 175.10 174.69 1j97 s VAL 595 N 0.00 2.35 0.11 2.92 1.01 -1.26 -1.17 120.40 124.37 1j97 s VAL 595 Ca 0.39 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1j97 s VAL 595 Cb -0.21 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1j97 s VAL 595 CO 0.23 0.54 -0.18 0.00 0.00 0.00 0.00 175.10 175.70 1j97 s ALA 596 N 0.60 1.68 -0.07 5.51 0.00 -0.25 -0.87 121.76 128.36 1j97 s ALA 596 Ca -0.11 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.63 1j97 s ALA 596 Cb -0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1j97 s ALA 596 CO 0.03 0.25 -0.23 0.54 0.00 0.00 0.00 175.76 176.35 1j97 s VAL 597 N -1.58 2.21 -0.10 0.00 0.11 -0.42 -0.67 120.40 119.95 1j97 s VAL 597 Ca 0.07 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1j97 s VAL 597 Cb -0.08 -1.83 0.03 0.00 -1.53 0.00 0.00 36.38 32.97 1j97 s VAL 597 CO 0.04 0.56 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.67 1j97 s VAL 598 N -0.03 0.58 0.03 2.04 1.01 -0.25 -1.41 120.40 122.37 1j97 s VAL 598 Ca -0.07 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1j97 s VAL 598 Cb -0.15 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1j97 s VAL 598 CO 0.05 0.22 -0.09 -0.55 0.00 0.00 0.00 175.10 174.73 1j97 s SER 599 N 1.88 1.07 0.00 3.32 0.15 0.02 -3.91 113.70 116.23 1j97 s SER 599 Ca 0.04 -0.43 0.21 0.00 0.70 0.00 0.00 55.95 56.46 1j97 s SER 599 Cb -0.13 -0.03 0.97 0.00 -1.71 0.00 0.00 66.02 65.12 1j97 s SER 599 CO -0.06 -0.08 1.66 0.61 1.20 0.00 0.00 173.24 176.57 1j97 n GLY 600 N 1.87 -0.34 0.00 9.45 0.00 -1.26 -3.87 105.19 111.05 1j97 n GLY 600 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1j97 n GLY 600 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j97 n GLY 601 N 0.98 1.23 3.21 -0.02 0.00 -1.26 -4.63 105.19 104.69 1j97 n GLY 601 Ca 0.16 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 1j97 n GLY 601 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j97 s PHE 602 N 1.53 2.05 0.35 1.61 0.08 -1.26 -0.32 117.98 122.02 1j97 s PHE 602 Ca 0.00 -0.56 0.10 0.00 0.12 0.00 0.00 56.93 56.59 1j97 s PHE 602 Cb 0.00 -1.35 0.84 0.00 -0.57 0.00 0.00 43.02 41.94 1j97 s PHE 602 CO 0.00 -0.16 1.84 -0.44 -0.10 0.00 0.00 175.22 176.36 1j97 h ASP 603 N 6.05 0.65 0.00 1.36 3.32 -0.95 -0.48 116.42 126.36 1j97 h ASP 603 Ca -0.34 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 1j97 h ASP 603 Cb 1.17 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1j97 h ASP 603 CO 0.47 0.30 -0.00 -0.29 -1.72 0.00 0.00 179.24 178.00 1j97 h ILE 604 N 0.67 0.73 0.02 0.35 2.10 -1.96 0.10 117.51 119.53 1j97 h ILE 604 Ca 0.49 -0.00 -0.32 0.00 1.08 0.00 0.00 64.86 66.10 1j97 h ILE 604 Cb 0.84 1.00 -0.04 0.00 -1.09 0.00 0.00 36.82 37.53 1j97 h ILE 604 CO -0.24 0.00 -1.78 0.00 -1.08 0.00 0.00 178.15 175.05 1j97 n ALA 605 N -2.42 0.95 -0.26 0.18 0.00 -0.43 -4.34 120.51 114.19 1j97 n ALA 605 Ca -0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 53.44 52.67 1j97 n ALA 605 Cb 0.09 -0.36 0.13 0.00 0.00 0.00 0.00 19.45 19.31 1j97 n ALA 605 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1j97 h VAL 606 N -0.80 1.24 -0.09 0.00 2.07 -0.97 -2.22 116.25 115.49 1j97 h VAL 606 Ca -0.47 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1j97 h VAL 606 Cb 1.52 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1j97 h VAL 606 CO -0.22 0.29 -0.06 -1.13 0.02 0.00 0.00 177.57 176.46 1j97 h ASN 607 N 1.10 0.11 -0.82 0.57 -0.73 -1.03 -1.83 115.58 112.96 1j97 h ASN 607 Ca 0.27 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.41 1j97 h ASN 607 Cb 0.11 -0.03 -0.04 0.00 0.27 0.00 0.00 38.32 38.63 1j97 h ASN 607 CO -0.03 0.20 0.45 0.11 -0.37 0.00 0.00 177.43 177.78 1j97 h LYS 608 N 0.12 1.14 0.00 6.67 1.57 -1.59 -1.75 116.57 122.73 1j97 h LYS 608 Ca 0.03 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.55 1j97 h LYS 608 Cb 0.19 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1j97 h LYS 608 CO 0.01 0.84 -0.61 0.82 -0.57 0.00 0.00 179.45 179.94 1j97 h ILE 609 N 1.13 1.13 -0.54 1.86 1.08 -1.40 -0.44 117.51 120.33 1j97 h ILE 609 Ca 0.29 -2.36 0.01 0.00 -0.39 0.00 0.00 64.86 62.40 1j97 h ILE 609 Cb 0.03 2.40 -0.03 0.00 -3.07 0.00 0.00 36.82 36.15 1j97 h ILE 609 CO -0.05 0.60 0.35 0.50 -0.69 0.00 0.00 178.15 178.86 1j97 h LYS 610 N 0.00 0.70 -0.09 2.37 3.64 -0.99 0.50 116.57 122.70 1j97 h LYS 610 Ca -0.01 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1j97 h LYS 610 Cb 1.35 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1j97 h LYS 610 CO 0.08 0.46 -0.24 0.93 -2.27 0.00 0.00 179.45 178.41 1j97 h GLU 611 N 0.72 0.32 -0.48 1.90 4.39 -1.13 -0.50 114.58 119.80 1j97 h GLU 611 Ca 0.20 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1j97 h GLU 611 Cb -0.07 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1j97 h GLU 611 CO -0.05 0.84 0.27 -0.22 -1.16 0.00 0.00 179.01 178.69 1j97 h LYS 612 N -0.15 0.66 -0.02 2.33 1.63 -0.92 -3.03 116.57 117.07 1j97 h LYS 612 Ca -0.00 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1j97 h LYS 612 Cb 0.85 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1j97 h LYS 612 CO 0.05 0.51 -0.03 1.28 -3.45 0.00 0.00 179.45 177.81 1j97 n LEU 613 N -4.69 1.82 -3.09 5.20 4.77 0.15 -4.96 117.00 116.21 1j97 n LEU 613 Ca 0.02 -0.60 -0.16 0.00 -0.03 0.00 0.00 56.01 55.23 1j97 n LEU 613 Cb 0.07 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1j97 n LEU 613 CO 0.36 0.31 0.13 0.61 -1.33 0.00 0.00 177.39 177.46 1j97 n GLY 614 N 1.23 -0.27 3.82 -0.72 0.00 -0.61 -4.98 105.19 103.66 1j97 n GLY 614 Ca 0.17 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1j97 n GLY 614 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j97 s LEU 615 N -5.91 3.85 0.21 0.99 1.43 -0.30 -4.98 118.68 113.97 1j97 s LEU 615 Ca 0.15 1.75 0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1j97 s LEU 615 Cb -0.07 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.61 1j97 s LEU 615 CO 0.62 -0.55 1.40 0.44 0.23 0.00 0.00 176.35 178.49 1j97 h ASP 616 N 1.60 0.00 -4.75 2.29 3.32 -1.34 -3.47 116.42 114.07 1j97 h ASP 616 Ca -0.49 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 1j97 h ASP 616 Cb 1.19 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.53 1j97 h ASP 616 CO 0.60 0.76 -0.38 -0.31 -1.72 0.00 0.00 179.24 178.19 1j97 s TYR 617 N -2.94 -0.12 -0.11 4.55 2.02 -1.18 -5.02 117.35 114.54 1j97 s TYR 617 Ca 0.02 0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 56.87 1j97 s TYR 617 Cb 0.10 0.04 0.05 0.00 -0.40 0.00 0.00 41.96 41.75 1j97 s TYR 617 CO 0.78 -0.30 0.25 0.00 -1.57 0.00 0.00 175.55 174.71 1j97 s ALA 618 N -1.05 -0.58 -0.03 3.71 0.00 -1.26 -1.31 121.76 121.24 1j97 s ALA 618 Ca -0.11 1.02 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1j97 s ALA 618 Cb -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1j97 s ALA 618 CO 0.02 -0.24 -0.11 -0.06 0.00 0.00 0.00 175.76 175.37 1j97 s PHE 619 N 1.37 1.17 0.31 0.00 0.08 -0.50 -5.00 117.98 115.41 1j97 s PHE 619 Ca -0.08 -0.32 -0.19 0.00 0.12 0.00 0.00 56.93 56.45 1j97 s PHE 619 Cb -0.10 -0.83 0.04 0.00 -0.57 0.00 0.00 43.02 41.56 1j97 s PHE 619 CO -0.09 -0.14 0.79 0.00 -0.10 0.00 0.00 175.22 175.68 1j97 s ALA 620 N 0.24 -1.08 0.89 5.36 0.00 -1.26 -0.80 121.76 125.11 1j97 s ALA 620 Ca -0.05 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.36 1j97 s ALA 620 Cb -0.10 0.76 0.18 0.00 0.00 0.00 0.00 23.12 23.95 1j97 s ALA 620 CO 0.01 -1.02 1.09 0.09 0.00 0.00 0.00 175.76 175.93 1j97 n ASN 621 N -0.90 0.53 -3.97 0.00 3.02 0.57 -4.60 115.26 109.91 1j97 n ASN 621 Ca -0.06 -1.67 -0.21 0.00 -0.03 0.00 0.00 54.58 52.61 1j97 n ASN 621 Cb 0.60 -0.79 -0.16 0.00 -0.61 0.00 0.00 39.78 38.81 1j97 n ASN 621 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1j97 s ARG 622 N -5.34 1.12 0.03 3.52 0.52 0.54 -0.32 118.95 119.02 1j97 s ARG 622 Ca 0.65 -0.26 -0.28 0.00 -0.52 0.00 0.00 55.73 55.32 1j97 s ARG 622 Cb -0.02 -1.02 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 1j97 s ARG 622 CO 0.45 0.02 0.90 -0.51 0.02 0.00 0.00 175.30 176.18 1j97 s LEU 623 N 0.58 4.41 -0.01 2.53 1.43 -1.26 -1.64 118.68 124.72 1j97 s LEU 623 Ca -0.10 1.60 -0.22 0.00 -1.03 0.00 0.00 54.13 54.38 1j97 s LEU 623 Cb -0.13 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 1j97 s LEU 623 CO 0.01 -0.14 0.67 -0.63 0.23 0.00 0.00 176.35 176.49 1j97 s ILE 624 N 0.52 4.91 0.05 -0.59 -1.09 -0.75 -4.98 121.20 119.27 1j97 s ILE 624 Ca 0.46 1.39 0.05 0.00 -2.23 0.00 0.00 60.65 60.32 1j97 s ILE 624 Cb -0.21 -4.01 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1j97 s ILE 624 CO 0.26 0.35 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.50 1j97 s VAL 625 N 0.17 1.02 -0.18 2.92 1.01 -1.26 -1.29 120.40 122.79 1j97 s VAL 625 Ca 0.35 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 1j97 s VAL 625 Cb -0.19 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.29 1j97 s VAL 625 CO 0.19 -0.11 0.45 -0.75 0.00 0.00 0.00 175.10 174.88 1j97 s LYS 626 N -1.36 0.47 -1.44 2.72 2.20 -0.19 -4.90 119.74 117.25 1j97 s LYS 626 Ca -0.01 0.78 -0.06 0.00 -0.36 0.00 0.00 55.97 56.32 1j97 s LYS 626 Cb -0.09 0.08 0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1j97 s LYS 626 CO 0.01 -0.13 0.54 -0.25 -0.36 0.00 0.00 175.35 175.17 1j97 n ASP 627 N 3.80 -5.13 -0.15 1.43 8.00 -1.26 -1.42 116.55 121.83 1j97 n ASP 627 Ca -0.20 -0.31 -0.02 0.00 0.71 0.00 0.00 54.79 54.97 1j97 n ASP 627 Cb 0.56 -4.17 -0.01 0.00 -0.02 0.00 0.00 41.12 37.48 1j97 n ASP 627 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j97 n GLY 628 N -1.37 0.53 3.05 0.44 0.00 -1.26 -5.02 105.19 101.57 1j97 n GLY 628 Ca -0.08 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 1j97 n GLY 628 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j97 s LYS 629 N -1.22 0.66 0.30 1.61 1.02 -0.50 -0.40 119.74 121.21 1j97 s LYS 629 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.16 1j97 s LYS 629 Cb 0.00 -0.59 -0.10 0.00 -0.52 0.00 0.00 37.83 36.61 1j97 s LYS 629 CO 0.00 0.15 1.41 -0.51 -0.92 0.00 0.00 175.35 175.48 1j97 s LEU 630 N -0.85 4.39 0.18 3.17 1.43 -0.19 -1.02 118.68 125.79 1j97 s LEU 630 Ca -0.01 2.76 0.25 0.00 -1.03 0.00 0.00 54.13 56.09 1j97 s LEU 630 Cb -0.06 -3.64 0.51 0.00 0.03 0.00 0.00 46.19 43.03 1j97 s LEU 630 CO 0.00 -0.69 1.51 0.71 0.23 0.00 0.00 176.35 178.11 1j97 h THR 631 N 3.26 0.00 0.00 5.49 1.35 -1.52 0.20 112.91 121.70 1j97 h THR 631 Ca -0.48 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1j97 h THR 631 Cb 1.22 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1j97 h THR 631 CO 0.71 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 1j97 n GLY 632 N 1.30 0.58 3.76 5.82 0.00 -1.26 -4.66 105.19 110.73 1j97 n GLY 632 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1j97 n GLY 632 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j97 s ASP 633 N -2.92 5.20 0.01 1.61 1.01 -1.26 -3.22 116.67 117.10 1j97 s ASP 633 Ca 0.00 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 52.93 1j97 s ASP 633 Cb 0.00 -1.23 -0.01 0.00 1.01 0.00 0.00 42.92 42.69 1j97 s ASP 633 CO 0.00 0.01 -0.04 0.54 0.21 0.00 0.00 175.17 175.89 1j97 s VAL 634 N -2.05 0.23 0.04 -1.27 0.11 -1.26 -1.82 120.40 114.38 1j97 s VAL 634 Ca 0.31 -0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1j97 s VAL 634 Cb -0.08 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 1j97 s VAL 634 CO 0.23 -0.20 0.06 -1.61 -3.33 0.00 0.00 175.10 170.25 1j97 s GLU 635 N -0.77 0.59 0.00 1.54 0.41 -0.65 -4.98 118.70 114.84 1j97 s GLU 635 Ca -0.06 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.63 1j97 s GLU 635 Cb -0.05 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.52 1j97 s GLU 635 CO -0.00 -0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.04 1j97 n GLY 636 N 0.62 -0.90 0.49 -1.39 0.00 -1.26 -0.34 105.19 102.40 1j97 n GLY 636 Ca -0.18 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.63 1j97 n GLY 636 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j97 n GLU 637 N -0.90 1.88 -2.54 1.61 4.71 -1.26 -4.52 120.64 119.61 1j97 n GLU 637 Ca 0.00 -2.80 -0.22 0.00 -0.01 0.00 0.00 57.16 54.13 1j97 n GLU 637 Cb 0.00 -1.65 0.01 0.00 -1.01 0.00 0.00 31.44 28.79 1j97 n GLU 637 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1j97 n VAL 638 N -1.09 1.97 -0.03 2.62 0.31 -1.26 -4.79 118.33 116.05 1j97 n VAL 638 Ca 0.20 -4.40 -0.05 0.00 -0.01 0.00 0.00 64.34 60.07 1j97 n VAL 638 Cb 0.76 -0.71 -0.03 0.00 -0.91 0.00 0.00 33.84 32.96 1j97 n VAL 638 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1j97 n LEU 639 N -0.35 2.36 -4.77 7.52 4.77 -1.26 -4.56 117.00 120.70 1j97 n LEU 639 Ca 0.30 -0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.94 1j97 n LEU 639 Cb 0.70 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1j97 n LEU 639 CO 0.31 0.49 0.75 -0.54 -1.33 0.00 0.00 177.39 177.07 1j97 s LYS 640 N -2.12 2.83 0.33 3.23 1.02 -1.26 -3.72 119.74 120.04 1j97 s LYS 640 Ca -0.09 1.44 0.07 0.00 0.02 0.00 0.00 55.97 57.41 1j97 s LYS 640 Cb 0.03 -1.95 0.75 0.00 -0.52 0.00 0.00 37.83 36.14 1j97 s LYS 640 CO 0.14 -1.23 1.83 1.49 -0.92 0.00 0.00 175.35 176.66 1j97 h GLU 641 N 0.15 0.74 -0.39 1.68 4.81 -1.98 -1.14 114.58 118.44 1j97 h GLU 641 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1j97 h GLU 641 Cb 1.25 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1j97 h GLU 641 CO 0.54 0.49 0.00 0.27 -0.73 0.00 0.00 179.01 179.58 1j97 n ASN 642 N -4.63 2.11 -0.09 1.04 0.23 -1.26 -4.41 115.26 108.25 1j97 n ASN 642 Ca 0.20 -1.99 -0.09 0.00 -0.53 0.00 0.00 54.58 52.16 1j97 n ASN 642 Cb 0.49 -0.26 -0.02 0.00 -2.08 0.00 0.00 39.78 37.91 1j97 n ASN 642 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j97 h ALA 643 N 3.74 0.38 -0.28 -2.53 0.00 -1.53 -2.42 119.26 116.61 1j97 h ALA 643 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1j97 h ALA 643 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1j97 h ALA 643 CO 0.00 -0.11 -0.22 0.87 0.00 0.00 0.00 179.25 179.79 1j97 h LYS 644 N 0.38 0.51 -0.64 0.00 1.57 -1.81 -1.78 116.57 114.80 1j97 h LYS 644 Ca 0.11 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1j97 h LYS 644 Cb 0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1j97 h LYS 644 CO -0.02 0.70 0.08 0.78 -0.57 0.00 0.00 179.45 180.42 1j97 h GLY 645 N 1.00 1.14 1.21 3.86 0.00 -1.57 -0.22 103.07 108.50 1j97 h GLY 645 Ca 0.07 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 1j97 h GLY 645 CO 0.05 0.71 0.16 0.83 0.00 0.00 0.00 176.54 178.29 1j97 h GLU 646 N 0.99 0.98 -0.42 4.80 5.08 -1.09 -1.79 114.58 123.12 1j97 h GLU 646 Ca 0.19 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1j97 h GLU 646 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1j97 h GLU 646 CO 0.02 0.87 -0.14 0.82 -1.00 0.00 0.00 179.01 179.57 1j97 h ILE 647 N 0.94 1.28 -0.32 3.13 2.04 -0.98 -0.93 117.51 122.67 1j97 h ILE 647 Ca 0.20 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.85 1j97 h ILE 647 Cb 0.32 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1j97 h ILE 647 CO -0.00 0.43 0.07 0.25 0.00 0.00 0.00 178.15 178.90 1j97 h LEU 648 N 0.67 0.03 -1.10 1.44 6.46 -0.76 -1.25 115.31 120.79 1j97 h LEU 648 Ca 0.10 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1j97 h LEU 648 Cb 0.69 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 1j97 h LEU 648 CO 0.05 0.05 0.44 -0.33 -0.62 0.00 0.00 178.44 178.03 1j97 h GLU 649 N 0.19 1.06 -0.47 1.25 5.08 -1.16 -1.03 114.58 119.50 1j97 h GLU 649 Ca 0.15 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1j97 h GLU 649 Cb 0.16 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1j97 h GLU 649 CO -0.19 0.76 0.15 0.87 -1.00 0.00 0.00 179.01 179.60 1j97 h LYS 650 N 1.08 0.72 -0.32 2.33 1.79 -0.58 -0.82 116.57 120.77 1j97 h LYS 650 Ca 0.28 -0.15 -0.08 0.00 -2.18 0.00 0.00 60.65 58.51 1j97 h LYS 650 Cb -0.00 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1j97 h LYS 650 CO -0.05 0.69 -0.10 0.82 -1.08 0.00 0.00 179.45 179.73 1j97 h ILE 651 N 0.62 1.28 -0.93 1.86 2.04 -0.99 -1.91 117.51 119.49 1j97 h ILE 651 Ca 0.15 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1j97 h ILE 651 Cb 0.27 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1j97 h ILE 651 CO -0.00 0.38 0.61 0.00 0.00 0.00 0.00 178.15 179.14 1j97 h ALA 652 N 0.79 1.33 -0.47 1.87 0.00 -1.07 -1.56 119.26 120.14 1j97 h ALA 652 Ca 0.08 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1j97 h ALA 652 Cb 0.61 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1j97 h ALA 652 CO 0.04 0.62 -0.00 -0.22 0.00 0.00 0.00 179.25 179.69 1j97 h LYS 653 N 1.26 0.83 -0.84 0.00 1.63 -0.90 0.92 116.57 119.48 1j97 h LYS 653 Ca 0.34 -0.27 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1j97 h LYS 653 Cb -0.14 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.38 1j97 h LYS 653 CO -0.07 0.88 0.55 0.82 -3.45 0.00 0.00 179.45 178.18 1j97 h ILE 654 N 0.69 1.22 -0.00 2.00 2.04 -0.97 -2.36 117.51 120.12 1j97 h ILE 654 Ca 0.13 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1j97 h ILE 654 Cb 0.51 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1j97 h ILE 654 CO 0.02 0.21 -0.15 -0.62 0.00 0.00 0.00 178.15 177.61 1j97 n GLU 655 N -4.50 0.31 -2.66 2.37 -0.58 -0.62 -4.93 120.64 110.03 1j97 n GLU 655 Ca 0.09 -0.09 -0.13 0.00 -0.42 0.00 0.00 57.16 56.60 1j97 n GLU 655 Cb 0.02 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.41 1j97 n GLU 655 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j97 n GLY 656 N 1.40 -0.05 3.65 0.62 0.00 0.14 -4.97 105.19 105.96 1j97 n GLY 656 Ca 0.10 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1j97 n GLY 656 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j97 s ILE 657 N -2.88 5.00 0.33 -0.61 1.01 -0.17 -4.88 121.20 119.00 1j97 s ILE 657 Ca 0.16 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.57 1j97 s ILE 657 Cb -0.07 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 39.02 1j97 s ILE 657 CO 0.20 0.43 1.29 0.21 0.00 0.00 0.00 174.94 177.07 1j97 s ASN 658 N 0.58 6.81 0.59 3.58 3.84 -1.26 -4.59 114.94 124.49 1j97 s ASN 658 Ca 0.05 2.65 0.29 0.00 0.21 0.00 0.00 52.86 56.07 1j97 s ASN 658 Cb -0.12 -2.65 1.72 0.00 -0.55 0.00 0.00 41.25 39.65 1j97 s ASN 658 CO 0.01 -0.51 2.15 -0.07 -2.79 0.00 0.00 177.10 175.90 1j97 h LEU 659 N 3.45 0.00 -2.26 3.21 3.38 -1.96 0.86 115.31 121.98 1j97 h LEU 659 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1j97 h LEU 659 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1j97 h LEU 659 CO 0.66 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.86 1j97 h GLU 660 N 0.00 0.00 -0.95 1.13 4.39 -1.90 -2.25 114.58 115.00 1j97 h GLU 660 Ca 0.06 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.24 1j97 h GLU 660 Cb 0.32 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.68 1j97 h GLU 660 CO -0.00 0.00 0.62 -0.25 -1.16 0.00 0.00 179.01 178.21 1j97 n ASP 661 N -3.06 4.18 -4.43 1.42 8.00 0.29 -4.60 116.55 118.36 1j97 n ASP 661 Ca -0.01 -3.65 -0.29 0.00 0.71 0.00 0.00 54.79 51.55 1j97 n ASP 661 Cb 0.18 -0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 40.31 1j97 n ASP 661 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j97 s THR 662 N -3.51 2.48 -0.01 -3.53 -4.23 -0.87 -1.58 115.64 104.38 1j97 s THR 662 Ca 0.57 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 1j97 s THR 662 Cb 0.48 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 1j97 s THR 662 CO 0.08 0.06 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.45 1j97 s VAL 663 N -1.18 0.71 -0.04 2.29 1.01 -0.03 -1.44 120.40 121.72 1j97 s VAL 663 Ca 0.16 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1j97 s VAL 663 Cb -0.10 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1j97 s VAL 663 CO 0.08 0.20 -0.20 0.00 0.00 0.00 0.00 175.10 175.19 1j97 s ALA 664 N -0.14 1.74 -0.11 5.51 0.00 -0.40 -0.50 121.76 127.86 1j97 s ALA 664 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1j97 s ALA 664 Cb -0.04 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1j97 s ALA 664 CO -0.00 0.34 -0.09 0.08 0.00 0.00 0.00 175.76 176.09 1j97 s VAL 665 N -0.09 1.06 0.35 0.00 1.01 -0.04 -0.85 120.40 121.85 1j97 s VAL 665 Ca -0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1j97 s VAL 665 Cb -0.12 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.24 1j97 s VAL 665 CO 0.02 0.37 0.68 -0.83 0.00 0.00 0.00 175.10 175.34 1j97 s GLY 666 N 1.52 0.62 0.00 4.51 0.00 -0.94 -4.37 107.32 108.67 1j97 s GLY 666 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1j97 s GLY 666 CO -0.06 -0.48 0.00 2.09 0.00 0.00 0.00 173.10 174.64 1j97 n ASP 667 N -1.24 2.03 -4.57 1.64 5.75 -1.26 -0.62 116.55 118.27 1j97 n ASP 667 Ca -0.05 -0.06 -0.28 0.00 -0.01 0.00 0.00 54.79 54.39 1j97 n ASP 667 Cb 0.60 0.52 -0.10 0.00 -1.03 0.00 0.00 41.12 41.11 1j97 n ASP 667 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1j97 s GLY 668 N -0.92 2.60 0.56 6.12 0.00 -1.26 -1.19 107.32 113.22 1j97 s GLY 668 Ca 0.00 -1.57 0.24 0.00 0.00 0.00 0.00 44.72 43.39 1j97 s GLY 668 CO 0.00 -2.05 2.16 0.00 0.00 0.00 0.00 173.10 173.21 1j97 h ALA 669 N 1.71 1.87 0.00 3.20 0.00 -1.10 -0.48 119.26 124.46 1j97 h ALA 669 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1j97 h ALA 669 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j97 h ALA 669 CO 0.74 -0.13 0.00 0.27 0.00 0.00 0.00 179.25 180.13 1j97 n ASN 670 N -4.16 0.00 -0.40 0.00 6.94 -1.26 -2.41 115.26 113.97 1j97 n ASN 670 Ca -0.01 -1.16 0.12 0.00 -0.02 0.00 0.00 54.58 53.51 1j97 n ASN 670 Cb 0.19 0.00 0.19 0.00 -2.36 0.00 0.00 39.78 37.80 1j97 n ASN 670 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1j97 n ASP 671 N -0.88 1.60 -0.23 0.53 8.00 -0.19 -4.43 116.55 120.96 1j97 n ASP 671 Ca 0.17 -1.26 -0.03 0.00 0.71 0.00 0.00 54.79 54.38 1j97 n ASP 671 Cb 0.08 0.29 0.08 0.00 -0.02 0.00 0.00 41.12 41.55 1j97 n ASP 671 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1j97 h ILE 672 N 1.97 1.03 0.00 0.53 2.04 -1.60 -0.83 117.51 120.65 1j97 h ILE 672 Ca 0.00 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 1j97 h ILE 672 Cb 0.64 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1j97 h ILE 672 CO 0.00 0.14 -0.38 0.77 0.00 0.00 0.00 178.15 178.67 1j97 h SER 673 N 0.74 0.00 -0.32 1.72 4.64 -1.77 -1.02 113.55 117.54 1j97 h SER 673 Ca 0.28 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.53 1j97 h SER 673 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1j97 h SER 673 CO -0.14 0.38 -0.05 -0.03 -0.87 0.00 0.00 176.83 176.12 1j97 h MET 674 N 0.00 0.60 -0.83 4.77 -1.53 -1.64 -2.84 114.93 113.46 1j97 h MET 674 Ca -0.00 -0.22 -0.01 0.00 -3.44 0.00 0.00 59.70 56.02 1j97 h MET 674 Cb 0.82 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.79 1j97 h MET 674 CO 0.05 0.77 0.47 0.74 0.14 0.00 0.00 176.91 179.08 1j97 h PHE 675 N 0.38 1.13 -0.80 1.39 -1.00 -0.59 -2.48 116.94 114.98 1j97 h PHE 675 Ca 0.08 -0.02 0.11 0.00 2.81 0.00 0.00 57.97 60.95 1j97 h PHE 675 Cb 0.53 -0.36 -0.06 0.00 3.61 0.00 0.00 35.95 39.67 1j97 h PHE 675 CO 0.05 0.78 0.53 -0.22 -1.61 0.00 0.00 178.31 177.83 1j97 h LYS 676 N 1.16 0.66 -0.00 1.51 3.64 -0.96 -1.75 116.57 120.82 1j97 h LYS 676 Ca 0.29 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1j97 h LYS 676 Cb 0.01 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1j97 h LYS 676 CO -0.05 0.44 -0.59 1.63 -2.27 0.00 0.00 179.45 178.61 1j97 n LYS 677 N -4.51 0.35 -3.09 1.90 4.76 -1.07 -4.98 118.16 111.52 1j97 n LYS 677 Ca 0.14 -0.25 -0.32 0.00 -2.87 0.00 0.00 58.31 55.01 1j97 n LYS 677 Cb 0.38 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.01 1j97 n LYS 677 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j97 s ALA 678 N -2.82 3.28 0.10 7.82 0.00 -0.66 -4.89 121.76 124.58 1j97 s ALA 678 Ca 0.14 0.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.04 1j97 s ALA 678 Cb 0.17 -2.82 -0.09 0.00 0.00 0.00 0.00 23.12 20.39 1j97 s ALA 678 CO 0.69 0.30 1.41 0.78 0.00 0.00 0.00 175.76 178.94 1j97 h GLY 679 N 2.18 0.78 -6.06 0.00 0.00 -0.98 -3.43 103.07 95.56 1j97 h GLY 679 Ca -0.48 -0.81 -0.51 0.00 0.00 0.00 0.00 47.33 45.53 1j97 h GLY 679 CO 0.65 0.73 -0.81 -2.27 0.00 0.00 0.00 176.54 174.84 1j97 s LEU 680 N -8.94 1.52 -0.32 3.11 2.96 -0.70 -4.99 118.68 111.32 1j97 s LEU 680 Ca -0.12 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 1j97 s LEU 680 Cb 0.09 -0.79 0.04 0.00 0.50 0.00 0.00 46.19 46.02 1j97 s LEU 680 CO 0.83 -0.01 0.07 -0.54 -1.32 0.00 0.00 176.35 175.39 1j97 s LYS 681 N 0.91 2.67 -0.25 1.98 1.02 -1.26 -1.27 119.74 123.54 1j97 s LYS 681 Ca -0.10 -1.13 -0.03 0.00 0.02 0.00 0.00 55.97 54.73 1j97 s LYS 681 Cb -0.15 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1j97 s LYS 681 CO 0.01 -0.61 -0.04 0.42 -0.92 0.00 0.00 175.35 174.21 1j97 s ILE 682 N 1.39 3.13 -0.18 2.17 1.01 -0.03 -0.69 121.20 128.01 1j97 s ILE 682 Ca -0.02 -0.85 -0.20 0.00 0.00 0.00 0.00 60.65 59.59 1j97 s ILE 682 Cb -0.19 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1j97 s ILE 682 CO 0.02 0.24 0.57 0.00 0.00 0.00 0.00 174.94 175.77 1j97 s ALA 683 N 1.39 3.52 -0.36 9.38 0.00 0.03 -2.21 121.76 133.51 1j97 s ALA 683 Ca 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 1j97 s ALA 683 Cb -0.16 -2.87 0.07 0.00 0.00 0.00 0.00 23.12 20.16 1j97 s ALA 683 CO -0.03 -0.40 0.12 0.12 0.00 0.00 0.00 175.76 175.57 1j97 s PHE 684 N 1.54 3.36 -1.42 0.00 5.36 0.21 -0.84 117.98 126.19 1j97 s PHE 684 Ca 0.27 -1.84 -0.07 0.00 -0.96 0.00 0.00 56.93 54.34 1j97 s PHE 684 Cb -0.16 -2.57 0.01 0.00 -0.34 0.00 0.00 43.02 39.96 1j97 s PHE 684 CO 0.11 -0.83 0.29 0.00 -1.46 0.00 0.00 175.22 173.33 1j97 s ALA 686 N -4.06 3.85 0.50 0.00 0.00 -1.26 -4.95 121.76 115.84 1j97 s ALA 686 Ca 0.11 -1.22 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 1j97 s ALA 686 Cb -0.05 -2.09 -0.08 0.00 0.00 0.00 0.00 23.12 20.90 1j97 s ALA 686 CO 0.95 -0.57 1.02 0.15 0.00 0.00 0.00 175.76 177.31 1j97 s LYS 687 N -4.66 3.79 0.30 0.00 -0.14 -0.33 -4.82 119.74 113.89 1j97 s LYS 687 Ca 0.53 1.26 0.06 0.00 -1.36 0.00 0.00 55.97 56.46 1j97 s LYS 687 Cb -0.10 -2.10 0.80 0.00 -1.68 0.00 0.00 37.83 34.75 1j97 s LYS 687 CO 0.38 -0.42 1.69 -1.35 -0.76 0.00 0.00 175.35 174.88 1j97 h PRO 688 N 1.36 0.37 -0.32 -1.68 0.11 -1.92 -0.92 132.00 129.00 1j97 h PRO 688 Ca -0.49 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1j97 h PRO 688 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1j97 h PRO 688 CO 0.59 0.25 0.03 0.97 -0.21 0.00 0.00 178.00 179.63 1j97 h ILE 689 N 0.38 1.18 0.19 4.15 2.10 -1.90 -1.34 117.51 122.27 1j97 h ILE 689 Ca 0.60 -0.67 -0.32 0.00 1.08 0.00 0.00 64.86 65.55 1j97 h ILE 689 Cb 1.19 0.90 0.02 0.00 -1.09 0.00 0.00 36.82 37.84 1j97 h ILE 689 CO -0.55 0.23 -1.46 0.25 -1.08 0.00 0.00 178.15 175.54 1j97 h LEU 690 N 0.47 0.64 -1.32 2.19 5.85 -1.52 -3.29 115.31 118.32 1j97 h LEU 690 Ca 0.11 -0.73 0.10 0.00 0.84 0.00 0.00 57.88 58.20 1j97 h LEU 690 Cb 0.26 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1j97 h LEU 690 CO 0.00 1.58 0.53 0.11 -0.34 0.00 0.00 178.44 180.33 1j97 h LYS 691 N 0.11 0.72 0.00 1.25 1.57 -0.61 -0.28 116.57 119.33 1j97 h LYS 691 Ca -0.23 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 1j97 h LYS 691 Cb 2.09 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 34.23 1j97 h LYS 691 CO 0.23 0.48 -0.17 1.49 -0.57 0.00 0.00 179.45 180.91 1j97 h GLU 692 N 0.74 0.00 -0.01 3.15 4.22 -1.34 -2.31 114.58 119.03 1j97 h GLU 692 Ca 0.38 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.82 1j97 h GLU 692 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1j97 h GLU 692 CO -0.15 0.17 -0.27 1.63 -2.18 0.00 0.00 179.01 178.21 1j97 n LYS 693 N -3.66 1.00 -2.44 1.92 4.76 -0.16 -4.98 118.16 114.59 1j97 n LYS 693 Ca -0.01 -0.64 -0.31 0.00 -2.87 0.00 0.00 58.31 54.47 1j97 n LYS 693 Cb 0.29 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 1j97 n LYS 693 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j97 s ALA 694 N -2.44 3.15 -0.07 7.82 0.00 -0.87 -4.97 121.76 124.37 1j97 s ALA 694 Ca 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 1j97 s ALA 694 Cb 0.19 -3.00 -0.26 0.00 0.00 0.00 0.00 23.12 20.05 1j97 s ALA 694 CO 0.51 -0.25 0.57 -0.44 0.00 0.00 0.00 175.76 176.15 1j97 h ASP 695 N 0.81 0.33 -3.69 0.00 3.32 -1.22 -3.47 116.42 112.50 1j97 h ASP 695 Ca -0.46 -0.64 -0.36 0.00 0.02 0.00 0.00 57.03 55.58 1j97 h ASP 695 Cb 1.19 -0.11 -0.31 0.00 0.22 0.00 0.00 39.33 40.32 1j97 h ASP 695 CO 0.62 1.57 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.32 1j97 s ILE 696 N -2.58 0.44 -0.21 0.35 1.01 -0.84 -5.02 121.20 114.34 1j97 s ILE 696 Ca -0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1j97 s ILE 696 Cb 0.07 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 42.12 1j97 s ILE 696 CO 0.81 0.16 -0.10 0.00 0.00 0.00 0.00 174.94 175.81 1j97 s ILE 698 N 1.37 5.08 -0.18 0.00 1.01 -0.02 -4.99 121.20 123.48 1j97 s ILE 698 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1j97 s ILE 698 Cb -0.14 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 1j97 s ILE 698 CO -0.07 0.51 0.28 -0.62 0.00 0.00 0.00 174.94 175.04 1j97 n GLU 699 N 3.03 3.53 -3.40 2.79 -0.58 -1.26 -0.31 120.64 124.43 1j97 n GLU 699 Ca -0.17 -0.26 -0.37 0.00 -0.42 0.00 0.00 57.16 55.94 1j97 n GLU 699 Cb 0.53 -0.78 -0.07 0.00 -0.57 0.00 0.00 31.44 30.55 1j97 n GLU 699 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1j97 s LYS 700 N -0.81 4.27 -1.30 3.49 2.20 -1.26 -4.85 119.74 121.49 1j97 s LYS 700 Ca 0.02 0.27 -0.18 0.00 -0.36 0.00 0.00 55.97 55.72 1j97 s LYS 700 Cb 0.02 -3.46 0.08 0.00 -1.51 0.00 0.00 37.83 32.95 1j97 s LYS 700 CO 0.07 0.12 1.72 -2.13 -0.36 0.00 0.00 175.35 174.77 1j97 n ARG 701 N 3.88 3.21 -3.38 4.03 0.63 -1.26 -4.77 116.66 119.00 1j97 n ARG 701 Ca -0.09 -3.32 -0.03 0.00 -0.92 0.00 0.00 57.85 53.49 1j97 n ARG 701 Cb 0.51 -3.45 -0.05 0.00 0.45 0.00 0.00 32.46 29.92 1j97 n ARG 701 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1j97 s ASP 702 N 4.08 -0.59 0.64 6.15 -1.08 -1.26 -4.56 116.67 120.04 1j97 s ASP 702 Ca 0.53 0.77 0.41 0.00 -0.52 0.00 0.00 52.55 53.74 1j97 s ASP 702 Cb 0.04 1.68 2.16 0.00 -1.46 0.00 0.00 42.92 45.33 1j97 s ASP 702 CO 0.07 -0.26 2.29 -0.07 0.52 0.00 0.00 175.17 177.71 1j97 h LEU 703 N 8.09 0.00 -2.61 -1.34 3.38 -1.25 -1.45 115.31 120.14 1j97 h LEU 703 Ca -0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1j97 h LEU 703 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1j97 h LEU 703 CO 0.22 0.01 -0.01 0.03 0.09 0.00 0.00 178.44 178.78 1j97 h ARG 704 N 0.00 0.00 0.00 1.13 3.08 -1.78 -1.86 114.38 114.94 1j97 h ARG 704 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j97 h ARG 704 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1j97 h ARG 704 CO 0.00 0.01 -0.01 0.93 -1.07 0.00 0.00 179.97 179.82 1j97 h GLU 705 N 0.00 0.00 0.00 0.04 4.39 -1.62 -2.22 114.58 115.17 1j97 h GLU 705 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1j97 h GLU 705 Cb 0.12 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1j97 h GLU 705 CO 0.00 0.01 -0.12 -0.84 -1.16 0.00 0.00 179.01 176.90 1j97 h ILE 706 N 0.00 0.23 -0.65 3.13 3.07 -1.55 -3.36 117.51 118.38 1j97 h ILE 706 Ca -0.00 -1.16 0.04 0.00 1.55 0.00 0.00 64.86 65.29 1j97 h ILE 706 Cb 0.08 1.97 -0.04 0.00 -0.27 0.00 0.00 36.82 38.56 1j97 h ILE 706 CO 0.00 0.12 0.43 -0.07 -1.05 0.00 0.00 178.15 177.58 1j97 h LEU 707 N 0.00 0.64 -2.43 0.16 3.38 -1.58 -1.55 115.31 113.93 1j97 h LEU 707 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1j97 h LEU 707 Cb 0.96 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1j97 h LEU 707 CO 0.02 0.43 -0.02 0.07 0.09 0.00 0.00 178.44 179.02 1j97 h LYS 708 N 0.74 0.00 -0.02 1.13 2.10 -1.77 -1.65 116.57 117.09 1j97 h LYS 708 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1j97 h LYS 708 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1j97 h LYS 708 CO -0.08 0.02 -0.03 0.66 -2.00 0.00 0.00 179.45 178.03 1j97 n TYR 709 N -3.31 0.00 -3.50 0.07 4.01 -0.59 -4.92 117.16 108.92 1j97 n TYR 709 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.32 1j97 n TYR 709 Cb 0.15 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.07 1j97 n TYR 709 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1j97 s ILE 710 N -2.03 5.25 0.00 -0.72 -1.09 -0.62 -5.16 121.20 116.82 1j97 s ILE 710 Ca 0.31 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 1j97 s ILE 710 Cb 0.20 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1j97 s ILE 710 CO 0.33 0.06 0.00 1.17 -1.23 0.00 0.00 174.94 175.27