#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig2 h ASN 502 N 0.00 0.75 -0.20 4.04 2.35 -2.05 -1.37 115.58 119.09 3ig2 h ASN 502 Ca 0.00 0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 3ig2 h ASN 502 Cb 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3ig2 h ASN 502 CO 0.00 0.29 -0.21 0.00 -1.65 0.00 0.00 177.43 175.86 3ig2 h ALA 503 N 1.61 0.99 -0.62 -0.83 0.00 -2.05 0.62 119.26 118.99 3ig2 h ALA 503 Ca 0.54 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3ig2 h ALA 503 Cb 0.79 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3ig2 h ALA 503 CO -0.36 0.59 0.37 -0.44 0.00 0.00 0.00 179.25 179.41 3ig2 h ASP 504 N 0.58 0.60 0.01 0.00 3.32 -1.73 -0.44 116.42 118.75 3ig2 h ASP 504 Ca 0.09 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ig2 h ASP 504 Cb 0.68 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3ig2 h ASP 504 CO 0.05 0.41 -0.01 0.50 -1.72 0.00 0.00 179.24 178.47 3ig2 h LYS 505 N 0.72 -0.02 -0.61 3.56 3.64 -0.72 -2.07 116.57 121.08 3ig2 h LYS 505 Ca 0.25 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.72 3ig2 h LYS 505 Cb 0.05 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.81 3ig2 h LYS 505 CO -0.12 0.34 0.24 1.03 -2.27 0.00 0.00 179.45 178.68 3ig2 h SER 506 N -0.38 0.26 -0.85 4.20 0.87 -0.89 -1.18 113.55 115.58 3ig2 h SER 506 Ca -0.00 0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.70 3ig2 h SER 506 Cb 0.37 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.30 3ig2 h SER 506 CO 0.00 0.16 0.52 -1.13 -0.53 0.00 0.00 176.83 175.85 3ig2 h ASN 507 N 0.44 0.79 -0.06 6.23 -1.24 -0.99 0.11 115.58 120.86 3ig2 h ASN 507 Ca 0.30 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.31 3ig2 h ASN 507 Cb 0.35 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.27 3ig2 h ASN 507 CO -0.29 0.48 -0.06 0.11 -1.29 0.00 0.00 177.43 176.38 3ig2 h LYS 508 N 0.91 0.16 -0.63 6.67 1.79 -0.61 -2.12 116.57 122.74 3ig2 h LYS 508 Ca 0.39 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.74 3ig2 h LYS 508 Cb 0.24 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 3ig2 h LYS 508 CO -0.20 0.60 0.24 -0.07 -1.08 0.00 0.00 179.45 178.94 3ig2 h LEU 509 N -0.28 0.85 -0.40 2.94 3.38 -1.10 -1.11 115.31 119.58 3ig2 h LEU 509 Ca 0.01 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3ig2 h LEU 509 Cb 0.57 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3ig2 h LEU 509 CO 0.02 0.77 0.23 -0.61 0.09 0.00 0.00 178.44 178.94 3ig2 h GLN 510 N 0.91 0.46 -0.49 1.13 4.15 -0.77 -0.63 115.11 119.88 3ig2 h GLN 510 Ca 0.21 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 3ig2 h GLN 510 Cb 0.20 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3ig2 h GLN 510 CO -0.02 0.30 0.28 -0.97 -1.93 0.00 0.00 178.83 176.49 3ig2 h ASN 511 N 0.47 0.60 -0.26 -0.69 -1.24 -1.02 0.76 115.58 114.20 3ig2 h ASN 511 Ca 0.16 -0.08 0.02 0.00 0.71 0.00 0.00 56.30 57.11 3ig2 h ASN 511 Cb 0.02 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 3ig2 h ASN 511 CO -0.08 0.50 0.12 -0.07 -1.29 0.00 0.00 177.43 176.61 3ig2 h LEU 512 N 0.65 0.17 -0.76 0.34 4.07 -0.88 -1.14 115.31 117.76 3ig2 h LEU 512 Ca 0.17 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.11 3ig2 h LEU 512 Cb 0.03 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 3ig2 h LEU 512 CO -0.03 0.13 0.33 0.58 -1.08 0.00 0.00 178.44 178.38 3ig2 h VAL 513 N 0.26 1.25 -0.64 1.22 2.07 -0.99 -1.95 116.25 117.46 3ig2 h VAL 513 Ca 0.11 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 3ig2 h VAL 513 Cb 0.05 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3ig2 h VAL 513 CO -0.09 0.31 0.10 0.00 0.02 0.00 0.00 177.57 177.91 3ig2 h ALA 514 N 1.17 0.96 -0.50 1.67 0.00 -0.53 -0.63 119.26 121.40 3ig2 h ALA 514 Ca 0.26 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3ig2 h ALA 514 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ig2 h ALA 514 CO -0.03 0.65 0.09 0.93 0.00 0.00 0.00 179.25 180.89 3ig2 h GLU 515 N 0.99 0.81 -0.30 0.00 5.08 -1.06 -1.07 114.58 119.05 3ig2 h GLU 515 Ca 0.20 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3ig2 h GLU 515 Cb 0.43 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3ig2 h GLU 515 CO 0.01 0.81 0.14 0.37 -1.00 0.00 0.00 179.01 179.34 3ig2 h GLN 516 N 0.69 0.43 -0.28 2.33 4.15 -1.05 0.08 115.11 121.47 3ig2 h GLN 516 Ca 0.15 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 3ig2 h GLN 516 Cb 0.38 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3ig2 h GLN 516 CO 0.01 0.42 0.04 -0.07 -1.93 0.00 0.00 178.83 177.30 3ig2 h LEU 517 N 0.34 0.44 -0.87 -2.39 3.38 -1.06 -2.46 115.31 112.70 3ig2 h LEU 517 Ca 0.10 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3ig2 h LEU 517 Cb 0.13 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3ig2 h LEU 517 CO -0.01 0.59 0.53 0.58 0.09 0.00 0.00 178.44 180.22 3ig2 h VAL 518 N 0.28 1.01 0.00 1.22 2.07 -1.13 -1.11 116.25 118.59 3ig2 h VAL 518 Ca 0.08 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3ig2 h VAL 518 Cb 0.34 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3ig2 h VAL 518 CO 0.01 0.17 -0.15 1.23 0.02 0.00 0.00 177.57 178.85 3ig2 h GLY 519 N 0.95 0.00 -1.01 2.17 0.00 -0.74 -0.56 103.07 103.88 3ig2 h GLY 519 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3ig2 h GLY 519 CO -0.19 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.35 3ig2 n GLY 521 N 1.19 0.81 3.80 0.00 0.00 -0.22 -5.07 105.19 105.70 3ig2 n GLY 521 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3ig2 n GLY 521 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ig2 s PHE 522 N -2.00 2.97 -0.09 1.61 0.08 -0.50 -4.67 117.98 115.38 3ig2 s PHE 522 Ca 0.00 1.52 0.01 0.00 0.12 0.00 0.00 56.93 58.58 3ig2 s PHE 522 Cb 0.00 -3.03 -0.02 0.00 -0.57 0.00 0.00 43.02 39.40 3ig2 s PHE 522 CO 0.00 -1.10 -0.12 -0.80 -0.10 0.00 0.00 175.22 173.10 3ig2 s ASN 523 N -2.65 4.16 0.24 1.36 0.01 0.24 -4.29 114.94 114.01 3ig2 s ASN 523 Ca 0.64 -0.22 -0.28 0.00 -0.71 0.00 0.00 52.86 52.29 3ig2 s ASN 523 Cb -0.16 -1.29 -0.09 0.00 0.41 0.00 0.00 41.25 40.12 3ig2 s ASN 523 CO 0.34 0.26 0.91 -0.70 -1.51 0.00 0.00 177.10 176.40 3ig2 s GLU 524 N -0.20 4.75 0.24 -0.60 2.12 -1.26 -1.95 118.70 121.80 3ig2 s GLU 524 Ca 0.01 1.39 0.10 0.00 0.36 0.00 0.00 54.97 56.83 3ig2 s GLU 524 Cb -0.13 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 3ig2 s GLU 524 CO 0.03 0.49 -0.18 0.96 -0.54 0.00 0.00 175.26 176.02 3ig2 s ILE 525 N -1.25 2.14 -0.04 -3.70 -4.36 0.48 -4.89 121.20 109.57 3ig2 s ILE 525 Ca 0.42 -2.30 -0.01 0.00 -0.26 0.00 0.00 60.65 58.50 3ig2 s ILE 525 Cb -0.24 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.33 3ig2 s ILE 525 CO 0.29 -0.48 0.02 -0.22 0.24 0.00 0.00 174.94 174.80 3ig2 s LEU 526 N -3.38 0.64 0.21 0.37 1.98 -1.26 -4.47 118.68 112.76 3ig2 s LEU 526 Ca 0.26 0.00 0.08 0.00 -2.89 0.00 0.00 54.13 51.59 3ig2 s LEU 526 Cb -0.03 -0.24 -0.05 0.00 0.66 0.00 0.00 46.19 46.53 3ig2 s LEU 526 CO 0.11 -0.18 -0.16 0.20 -1.89 0.00 0.00 176.35 174.43 3ig2 s ASN 527 N 1.68 2.72 0.38 3.68 -0.87 -1.26 -5.12 114.94 116.15 3ig2 s ASN 527 Ca -0.01 -0.99 -0.28 0.00 -1.57 0.00 0.00 52.86 50.01 3ig2 s ASN 527 Cb -0.13 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.25 40.84 3ig2 s ASN 527 CO -0.03 -0.12 1.44 0.20 -2.57 0.00 0.00 177.10 176.02 3ig2 s ASN 528 N -3.23 6.36 0.33 -1.22 -0.87 -1.26 -4.94 114.94 110.11 3ig2 s ASN 528 Ca 0.22 2.96 0.18 0.00 -1.57 0.00 0.00 52.86 54.65 3ig2 s ASN 528 Cb -0.02 -2.66 0.25 0.00 -0.02 0.00 0.00 41.25 38.79 3ig2 s ASN 528 CO 0.08 -0.85 1.53 0.77 -2.57 0.00 0.00 177.10 176.06 3ig2 h SER 529 N 2.98 0.00 -3.58 -1.22 4.64 -1.96 -3.43 113.55 110.97 3ig2 h SER 529 Ca -0.50 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.30 3ig2 h SER 529 Cb 1.24 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3ig2 h SER 529 CO 0.64 0.38 0.53 -0.76 -0.87 0.00 0.00 176.83 176.75 3ig2 s LEU 530 N -6.48 4.48 0.00 5.97 1.43 -1.26 -0.97 118.68 121.84 3ig2 s LEU 530 Ca 0.04 2.24 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 3ig2 s LEU 530 Cb 0.08 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.68 3ig2 s LEU 530 CO 0.72 -0.31 0.14 1.07 0.23 0.00 0.00 176.35 178.20 3ig2 n THR 531 N 2.14 0.00 -3.85 5.49 5.66 0.22 -4.85 114.28 119.09 3ig2 n THR 531 Ca 0.03 -0.69 -0.36 0.00 -3.05 0.00 0.00 64.05 59.98 3ig2 n THR 531 Cb 0.45 0.39 -0.11 0.00 -1.55 0.00 0.00 70.33 69.51 3ig2 n THR 531 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3ig2 s ARG 532 N -2.34 3.90 0.44 1.09 0.52 -1.26 -1.80 118.95 119.49 3ig2 s ARG 532 Ca 0.11 -0.37 0.13 0.00 -0.52 0.00 0.00 55.73 55.08 3ig2 s ARG 532 Cb 0.00 -3.33 1.01 0.00 0.52 0.00 0.00 34.95 33.15 3ig2 s ARG 532 CO 0.08 0.07 2.01 0.00 0.02 0.00 0.00 175.30 177.48 3ig2 h ALA 533 N 7.40 1.95 -1.08 2.13 0.00 -1.89 -2.06 119.26 125.70 3ig2 h ALA 533 Ca -0.37 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 54.83 3ig2 h ALA 533 Cb 1.17 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 3ig2 h ALA 533 CO 0.65 -0.05 0.68 0.00 0.00 0.00 0.00 179.25 180.52 3ig2 h ALA 534 N 1.72 2.22 -0.59 0.00 0.00 -1.94 -0.87 119.26 119.81 3ig2 h ALA 534 Ca 0.23 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.32 3ig2 h ALA 534 Cb 0.38 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3ig2 h ALA 534 CO -0.06 -0.72 0.39 1.88 0.00 0.00 0.00 179.25 180.74 3ig2 h TYR 535 N 0.34 0.54 -0.02 0.00 0.05 -1.80 -2.32 116.97 113.77 3ig2 h TYR 535 Ca 0.68 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.47 3ig2 h TYR 535 Cb 1.72 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 39.28 3ig2 h TYR 535 CO -0.01 0.29 -0.17 0.66 -1.05 0.00 0.00 178.16 177.88 3ig2 n TYR 536 N -4.48 0.00 -1.67 4.88 4.01 -0.34 -4.85 117.16 114.72 3ig2 n TYR 536 Ca 0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.40 3ig2 n TYR 536 Cb 0.26 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 3ig2 n TYR 536 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3ig2 s ASP 537 N -2.21 6.34 0.00 7.72 2.15 -0.87 -2.36 116.67 127.43 3ig2 s ASP 537 Ca 0.27 2.58 0.00 0.00 0.43 0.00 0.00 52.55 55.83 3ig2 s ASP 537 Cb 0.20 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3ig2 s ASP 537 CO 0.42 -1.16 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 3ig2 n GLY 538 N 4.68 2.12 3.77 2.66 0.00 -1.26 -5.02 105.19 112.14 3ig2 n GLY 538 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3ig2 n GLY 538 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ig2 s LEU 539 N 0.00 4.40 -0.14 0.99 1.43 -0.99 -4.95 118.68 119.42 3ig2 s LEU 539 Ca 0.00 2.60 -0.13 0.00 -1.03 0.00 0.00 54.13 55.58 3ig2 s LEU 539 Cb 0.00 -3.71 -0.24 0.00 0.03 0.00 0.00 46.19 42.27 3ig2 s LEU 539 CO 0.00 -0.53 0.36 -0.08 0.23 0.00 0.00 176.35 176.33 3ig2 h GLU 540 N 3.30 0.19 -0.19 1.70 4.57 -1.95 -3.36 114.58 118.84 3ig2 h GLU 540 Ca -0.49 -0.33 -0.14 0.00 -1.18 0.00 0.00 59.36 57.23 3ig2 h GLU 540 Cb 1.23 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.93 3ig2 h GLU 540 CO 0.65 1.16 -0.46 0.66 -1.18 0.00 0.00 179.01 179.84 3ig2 h SER 541 N -0.30 0.51 -2.93 1.04 4.64 -1.99 -3.31 113.55 111.22 3ig2 h SER 541 Ca -0.38 -0.24 -0.61 0.00 -0.47 0.00 0.00 61.79 60.09 3ig2 h SER 541 Cb 1.78 -0.14 -0.41 0.00 -0.31 0.00 0.00 62.40 63.32 3ig2 h SER 541 CO 0.00 0.90 -0.71 -0.31 -0.87 0.00 0.00 176.83 175.83 3ig2 s TYR 542 N -4.12 2.66 0.34 4.77 2.02 -1.26 -5.11 117.35 116.64 3ig2 s TYR 542 Ca -0.07 -2.95 -0.29 0.00 -0.37 0.00 0.00 57.07 53.40 3ig2 s TYR 542 Cb 0.12 -2.08 -0.11 0.00 -0.40 0.00 0.00 41.96 39.49 3ig2 s TYR 542 CO 0.82 -0.66 1.50 -2.14 -1.57 0.00 0.00 175.55 173.50 3ig2 s PRO 543 N -0.81 4.15 0.36 -1.71 0.02 -1.25 -4.73 135.00 131.03 3ig2 s PRO 543 Ca 0.27 2.52 0.10 0.00 0.02 0.00 0.00 61.00 63.91 3ig2 s PRO 543 Cb -0.04 -3.00 0.85 0.00 0.02 0.00 0.00 34.50 32.32 3ig2 s PRO 543 CO -0.16 -0.52 1.86 1.03 -0.33 0.00 0.00 177.00 178.88 3ig2 h SER 544 N 3.72 0.63 0.05 2.53 0.87 -1.77 -0.45 113.55 119.14 3ig2 h SER 544 Ca -0.49 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3ig2 h SER 544 Cb 1.23 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 3ig2 h SER 544 CO 0.70 0.30 -0.01 0.07 -0.53 0.00 0.00 176.83 177.36 3ig2 h LYS 545 N 0.66 0.00 -0.60 2.24 2.10 -1.91 -2.04 116.57 117.02 3ig2 h LYS 545 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 3ig2 h LYS 545 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 3ig2 h LYS 545 CO -0.22 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.33 3ig2 n ASN 546 N -3.45 3.41 -4.79 7.07 5.03 -0.18 -4.94 115.26 117.41 3ig2 n ASN 546 Ca -0.03 -2.13 -0.36 0.00 0.87 0.00 0.00 54.58 52.93 3ig2 n ASN 546 Cb 0.09 -0.44 -0.06 0.00 -1.02 0.00 0.00 39.78 38.35 3ig2 n ASN 546 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3ig2 s LEU 547 N -1.21 4.22 0.47 3.41 1.43 -0.77 -2.26 118.68 123.98 3ig2 s LEU 547 Ca 0.40 1.81 -0.13 0.00 -1.03 0.00 0.00 54.13 55.18 3ig2 s LEU 547 Cb 0.23 -4.16 -0.07 0.00 0.03 0.00 0.00 46.19 42.22 3ig2 s LEU 547 CO 0.24 -0.17 0.88 -0.69 0.23 0.00 0.00 176.35 176.84 3ig2 s VAL 548 N -1.76 4.68 0.06 -1.59 1.01 -1.26 -4.69 120.40 116.84 3ig2 s VAL 548 Ca 0.54 0.88 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 3ig2 s VAL 548 Cb -0.16 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3ig2 s VAL 548 CO 0.21 -0.66 0.03 -0.76 0.00 0.00 0.00 175.10 173.93 3ig2 s LEU 550 N -4.09 2.16 0.46 3.92 1.43 -0.38 -4.51 118.68 117.67 3ig2 s LEU 550 Ca 0.55 -0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 3ig2 s LEU 550 Cb -0.10 0.43 -0.08 0.00 0.03 0.00 0.00 46.19 46.47 3ig2 s LEU 550 CO 0.34 -0.61 1.40 -0.22 0.23 0.00 0.00 176.35 177.49 3ig2 s LEU 551 N -2.77 4.08 -1.20 1.79 2.96 -1.26 -3.36 118.68 118.92 3ig2 s LEU 551 Ca 0.04 2.85 -0.06 0.00 -0.22 0.00 0.00 54.13 56.75 3ig2 s LEU 551 Cb 0.06 -3.99 -0.02 0.00 0.50 0.00 0.00 46.19 42.73 3ig2 s LEU 551 CO -0.09 -1.20 0.81 0.59 -1.32 0.00 0.00 176.35 175.13 3ig2 n ASN 552 N -0.30 -3.44 0.27 3.68 3.02 -1.26 -4.87 115.26 112.36 3ig2 n ASN 552 Ca 0.06 -0.81 0.13 0.00 -0.03 0.00 0.00 54.58 53.93 3ig2 n ASN 552 Cb 0.43 -4.33 0.79 0.00 -0.61 0.00 0.00 39.78 36.05 3ig2 n ASN 552 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3ig2 h PRO 553 N -1.69 0.00 0.00 3.52 0.13 -1.87 -1.08 132.00 131.00 3ig2 h PRO 553 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3ig2 h PRO 553 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3ig2 h PRO 553 CO 0.51 0.08 0.00 1.28 -0.23 0.00 0.00 178.00 179.64 3ig2 n LEU 554 N -3.72 0.67 -1.02 1.56 4.77 -1.26 -3.07 117.00 114.92 3ig2 n LEU 554 Ca -0.02 0.66 0.08 0.00 -0.03 0.00 0.00 56.01 56.70 3ig2 n LEU 554 Cb 0.19 -0.57 0.27 0.00 -2.33 0.00 0.00 43.42 40.98 3ig2 n LEU 554 CO 0.29 -0.55 0.73 -1.20 -1.33 0.00 0.00 177.39 175.33 3ig2 n SER 555 N -2.24 4.07 -3.73 -1.43 7.64 -0.41 -4.92 113.62 112.61 3ig2 n SER 555 Ca 0.02 -2.90 -0.13 0.00 1.01 0.00 0.00 58.87 56.87 3ig2 n SER 555 Cb 0.24 -0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 62.76 3ig2 n SER 555 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ig2 s ALA 556 N -2.63 -0.41 0.11 -0.43 0.00 -1.18 -5.03 121.76 112.19 3ig2 s ALA 556 Ca 0.42 0.84 -0.31 0.00 0.00 0.00 0.00 51.96 52.92 3ig2 s ALA 556 Cb 0.33 -0.61 -0.10 0.00 0.00 0.00 0.00 23.12 22.75 3ig2 s ALA 556 CO 0.11 -0.24 1.59 0.22 0.00 0.00 0.00 175.76 177.44 3ig2 h ASP 557 N 7.39 -1.19 -3.56 0.00 3.58 -1.91 -3.35 116.42 117.39 3ig2 h ASP 557 Ca -0.38 0.13 -0.69 0.00 0.42 0.00 0.00 57.03 56.52 3ig2 h ASP 557 Cb 1.14 0.45 -0.19 0.00 1.72 0.00 0.00 39.33 42.45 3ig2 h ASP 557 CO 0.36 -0.48 -0.24 -0.76 -2.88 0.00 0.00 179.24 175.24 3ig2 s LEU 558 N -10.28 4.81 -0.03 2.28 1.02 -1.26 -4.52 118.68 110.70 3ig2 s LEU 558 Ca -0.16 -0.61 0.05 0.00 0.02 0.00 0.00 54.13 53.42 3ig2 s LEU 558 Cb 0.08 -2.36 0.07 0.00 0.02 0.00 0.00 46.19 43.99 3ig2 s LEU 558 CO 0.63 -0.53 0.91 -0.46 0.02 0.00 0.00 176.35 176.92 3ig2 n ASN 559 N 5.53 0.99 0.00 2.29 2.04 -0.75 -4.88 115.26 120.48 3ig2 n ASN 559 Ca -0.08 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.06 3ig2 n ASN 559 Cb 0.48 -0.16 0.00 0.00 -2.53 0.00 0.00 39.78 37.57 3ig2 n ASN 559 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3ig2 s ARG 562 N 3.68 2.90 0.11 0.00 1.70 -0.14 -0.61 118.95 126.59 3ig2 s ARG 562 Ca 0.00 -0.61 0.20 0.00 -0.47 0.00 0.00 55.73 54.85 3ig2 s ARG 562 Cb 0.00 -2.58 -0.09 0.00 -0.57 0.00 0.00 34.95 31.71 3ig2 s ARG 562 CO 0.00 0.53 0.87 1.04 -1.08 0.00 0.00 175.30 176.66 3ig2 n GLN 563 N 2.62 0.62 -3.88 3.89 6.02 -1.24 -0.44 117.38 124.96 3ig2 n GLN 563 Ca -0.18 0.15 -0.11 0.00 -0.01 0.00 0.00 57.00 56.85 3ig2 n GLN 563 Cb 0.53 -1.79 -0.11 0.00 1.02 0.00 0.00 30.24 29.89 3ig2 n GLN 563 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3ig2 s THR 564 N -3.14 0.07 -0.99 5.09 -1.32 -1.26 -4.50 115.64 109.58 3ig2 s THR 564 Ca -0.02 -0.55 0.23 0.00 -1.21 0.00 0.00 61.69 60.13 3ig2 s THR 564 Cb 0.09 -0.34 0.19 0.00 -1.51 0.00 0.00 72.50 70.93 3ig2 s THR 564 CO 0.81 -0.30 1.72 0.18 -2.21 0.00 0.00 174.62 174.81 3ig2 n LEU 565 N 1.86 0.03 -0.03 9.08 4.77 -1.26 -4.36 117.00 127.09 3ig2 n LEU 565 Ca -0.20 0.50 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 3ig2 n LEU 565 Cb 0.56 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3ig2 n LEU 565 CO 0.21 -0.12 0.71 0.25 -1.33 0.00 0.00 177.39 177.10 3ig2 h LEU 566 N 0.00 -0.72 -0.99 2.23 5.85 -1.98 -3.05 115.31 116.65 3ig2 h LEU 566 Ca 0.00 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3ig2 h LEU 566 Cb 0.39 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3ig2 h LEU 566 CO 0.00 -0.27 0.02 -0.26 -0.34 0.00 0.00 178.44 177.59 3ig2 h PHE 567 N -0.25 0.79 -0.63 1.25 0.04 -2.00 -2.05 116.94 114.09 3ig2 h PHE 567 Ca 0.12 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 3ig2 h PHE 567 Cb 0.44 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 3ig2 h PHE 567 CO -0.37 0.73 0.18 0.78 -0.60 0.00 0.00 178.31 179.03 3ig2 h GLY 568 N 0.95 1.04 1.41 -1.45 0.00 -1.83 -1.21 103.07 101.99 3ig2 h GLY 568 Ca 0.14 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 3ig2 h GLY 568 CO 0.01 0.56 -0.21 -1.33 0.00 0.00 0.00 176.54 175.58 3ig2 h GLY 569 N 1.04 0.74 1.06 4.60 0.00 -1.30 -0.36 103.07 108.84 3ig2 h GLY 569 Ca 0.21 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 3ig2 h GLY 569 CO -0.01 0.55 -0.26 1.41 0.00 0.00 0.00 176.54 178.24 3ig2 h LEU 570 N 0.60 0.91 -0.47 3.11 3.38 -1.09 0.58 115.31 122.34 3ig2 h LEU 570 Ca 0.09 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.69 3ig2 h LEU 570 Cb 0.69 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3ig2 h LEU 570 CO 0.05 1.15 0.15 -0.33 0.09 0.00 0.00 178.44 179.55 3ig2 h GLU 571 N 0.69 0.31 -0.87 1.13 5.08 -1.10 -1.29 114.58 118.52 3ig2 h GLU 571 Ca 0.08 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3ig2 h GLU 571 Cb 0.83 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3ig2 h GLU 571 CO 0.07 0.20 0.46 0.77 -1.00 0.00 0.00 179.01 179.52 3ig2 h SER 572 N 0.32 1.11 0.12 1.42 0.02 -0.57 -2.14 113.55 113.83 3ig2 h SER 572 Ca 0.22 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3ig2 h SER 572 Cb 0.24 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3ig2 h SER 572 CO -0.24 0.90 -0.06 0.40 -1.14 0.00 0.00 176.83 176.70 3ig2 h ILE 573 N 1.23 0.94 -0.69 3.27 2.04 -0.56 -2.63 117.51 121.10 3ig2 h ILE 573 Ca 0.31 -0.21 0.15 0.00 1.00 0.00 0.00 64.86 66.10 3ig2 h ILE 573 Cb 0.06 1.07 -0.11 0.00 -0.74 0.00 0.00 36.82 37.10 3ig2 h ILE 573 CO -0.05 0.05 0.12 0.00 0.00 0.00 0.00 178.15 178.27 3ig2 h ALA 574 N 0.61 0.82 0.00 1.87 0.00 -1.09 -2.34 119.26 119.14 3ig2 h ALA 574 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ig2 h ALA 574 Cb 0.21 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ig2 h ALA 574 CO 0.03 -0.35 0.00 1.25 0.00 0.00 0.00 179.25 180.17 3ig2 h HIS 575 N 0.22 0.00 0.00 0.00 -0.00 -1.15 -3.50 115.15 110.71 3ig2 h HIS 575 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.75 3ig2 h HIS 575 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 3ig2 h HIS 575 CO -0.29 0.00 0.00 0.09 -0.00 0.00 0.00 177.93 177.73 3ig2 n ASN 576 N -2.88 0.00 -4.52 3.26 3.02 -0.88 -5.10 115.26 108.15 3ig2 n ASN 576 Ca 0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.25 3ig2 n ASN 576 Cb 0.32 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.37 3ig2 n ASN 576 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ig2 n ASP 583 N 0.00 0.77 -4.84 6.41 8.00 -1.26 -5.01 116.55 120.63 3ig2 n ASP 583 Ca 0.00 -0.41 -0.35 0.00 0.71 0.00 0.00 54.79 54.74 3ig2 n ASP 583 Cb 0.00 -1.15 -0.06 0.00 -0.02 0.00 0.00 41.12 39.89 3ig2 n ASP 583 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ig2 s LEU 584 N 9.14 4.30 -0.09 0.64 1.02 -1.26 -4.90 118.68 127.51 3ig2 s LEU 584 Ca 1.18 1.22 -0.02 0.00 0.02 0.00 0.00 54.13 56.53 3ig2 s LEU 584 Cb -0.70 -3.51 0.03 0.00 0.02 0.00 0.00 46.19 42.03 3ig2 s LEU 584 CO 0.38 0.03 0.01 -0.54 0.02 0.00 0.00 176.35 176.24 3ig2 s LYS 585 N -2.14 0.60 0.11 1.70 1.02 -1.26 -1.69 119.74 118.07 3ig2 s LYS 585 Ca 0.42 0.02 0.07 0.00 0.02 0.00 0.00 55.97 56.50 3ig2 s LYS 585 Cb -0.15 -1.18 -0.03 0.00 -0.52 0.00 0.00 37.83 35.95 3ig2 s LYS 585 CO 0.20 -0.37 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.03 3ig2 s PHE 586 N 1.96 1.56 0.04 3.18 0.08 -0.09 -0.59 117.98 124.11 3ig2 s PHE 586 Ca 0.04 -0.47 -0.07 0.00 0.12 0.00 0.00 56.93 56.56 3ig2 s PHE 586 Cb -0.13 -0.84 -0.01 0.00 -0.57 0.00 0.00 43.02 41.47 3ig2 s PHE 586 CO -0.06 0.17 0.13 -0.59 -0.10 0.00 0.00 175.22 174.77 3ig2 s PHE 587 N -1.53 0.17 -0.17 0.36 -0.12 -0.82 -0.68 117.98 115.19 3ig2 s PHE 587 Ca 0.06 -0.46 -0.08 0.00 -0.05 0.00 0.00 56.93 56.39 3ig2 s PHE 587 Cb -0.08 -0.11 0.07 0.00 -0.63 0.00 0.00 43.02 42.26 3ig2 s PHE 587 CO 0.04 -0.40 0.39 -2.00 -0.05 0.00 0.00 175.22 173.20 3ig2 s GLU 588 N -2.72 0.34 -0.07 1.99 2.12 -0.52 -0.39 118.70 119.45 3ig2 s GLU 588 Ca -0.04 0.83 -0.14 0.00 0.36 0.00 0.00 54.97 55.98 3ig2 s GLU 588 Cb -0.00 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.39 3ig2 s GLU 588 CO -0.05 -0.19 0.36 -0.06 -0.54 0.00 0.00 175.26 174.78 3ig2 s PHE 589 N 1.76 3.62 -0.23 5.30 0.08 -1.26 -0.56 117.98 126.69 3ig2 s PHE 589 Ca -0.07 0.83 -0.32 0.00 0.12 0.00 0.00 56.93 57.49 3ig2 s PHE 589 Cb -0.10 -2.30 0.16 0.00 -0.57 0.00 0.00 43.02 40.21 3ig2 s PHE 589 CO -0.12 0.48 1.24 0.20 -0.10 0.00 0.00 175.22 176.92 3ig2 s GLY 590 N -0.43 -0.14 0.35 4.36 0.00 -0.26 -4.98 107.32 106.22 3ig2 s GLY 590 Ca 0.21 2.15 -0.27 0.00 0.00 0.00 0.00 44.72 46.81 3ig2 s GLY 590 CO 0.09 0.84 1.21 -1.31 0.00 0.00 0.00 173.10 173.93 3ig2 s ASN 591 N -1.56 6.75 0.26 1.64 0.02 -1.26 -0.96 114.94 119.84 3ig2 s ASN 591 Ca 0.07 2.46 0.11 0.00 -1.02 0.00 0.00 52.86 54.49 3ig2 s ASN 591 Cb -0.01 -2.63 -0.05 0.00 0.02 0.00 0.00 41.25 38.58 3ig2 s ASN 591 CO -0.05 -0.52 -0.20 0.00 0.02 0.00 0.00 177.10 176.35 3ig2 s TYR 593 N -2.49 0.84 0.09 0.00 2.02 0.41 -1.73 117.35 116.48 3ig2 s TYR 593 Ca 0.28 -0.19 -0.26 0.00 -0.37 0.00 0.00 57.07 56.53 3ig2 s TYR 593 Cb -0.05 -0.59 0.07 0.00 -0.40 0.00 0.00 41.96 41.00 3ig2 s TYR 593 CO 0.13 -0.07 0.64 -3.38 -1.57 0.00 0.00 175.55 171.31 3ig2 s HIS 594 N 0.09 -0.56 -0.20 2.71 -3.43 -0.80 -3.72 115.29 109.38 3ig2 s HIS 594 Ca -0.01 0.56 -0.16 0.00 -0.80 0.00 0.00 55.06 54.64 3ig2 s HIS 594 Cb -0.07 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.56 3ig2 s HIS 594 CO 0.00 -0.76 0.42 -0.06 -2.00 0.00 0.00 174.74 172.34 3ig2 s PHE 595 N -2.94 3.37 -0.16 0.38 0.08 -0.96 -0.59 117.98 117.17 3ig2 s PHE 595 Ca -0.02 0.64 -0.06 0.00 0.12 0.00 0.00 56.93 57.61 3ig2 s PHE 595 Cb -0.01 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.85 3ig2 s PHE 595 CO -0.06 -0.03 0.05 -0.47 -0.10 0.00 0.00 175.22 174.61 3ig2 s TYR 609 N 1.37 3.24 -0.01 0.36 5.04 -1.26 -4.70 117.35 121.40 3ig2 s TYR 609 Ca 0.20 0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.92 3ig2 s TYR 609 Cb -0.15 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 40.15 3ig2 s TYR 609 CO 0.08 0.22 -0.02 0.45 -1.34 0.00 0.00 175.55 174.94 3ig2 s SER 610 N 0.10 0.33 -0.18 4.32 0.15 0.25 -5.10 113.70 113.57 3ig2 s SER 610 Ca 0.04 -0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.65 3ig2 s SER 610 Cb -0.12 -0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.12 3ig2 s SER 610 CO 0.01 0.00 -0.15 -1.61 1.20 0.00 0.00 173.24 172.69 3ig2 s GLU 611 N 0.16 3.14 -0.02 5.44 2.02 -1.26 -1.90 118.70 126.28 3ig2 s GLU 611 Ca -0.01 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.24 3ig2 s GLU 611 Cb -0.04 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.53 3ig2 s GLU 611 CO -0.00 -0.13 -0.10 -0.51 0.02 0.00 0.00 175.26 174.54 3ig2 s ASP 612 N 1.16 1.32 0.02 -0.19 1.01 -0.71 -4.96 116.67 114.32 3ig2 s ASP 612 Ca 0.01 -0.21 -0.20 0.00 0.71 0.00 0.00 52.55 52.86 3ig2 s ASP 612 Cb -0.14 -0.31 -0.06 0.00 1.01 0.00 0.00 42.92 43.42 3ig2 s ASP 612 CO -0.06 0.09 0.60 -0.47 0.21 0.00 0.00 175.17 175.53 3ig2 s TYR 613 N 0.09 3.72 0.14 4.23 5.04 -1.26 -0.81 117.35 128.50 3ig2 s TYR 613 Ca -0.02 1.23 0.06 0.00 -2.44 0.00 0.00 57.07 55.91 3ig2 s TYR 613 Cb -0.08 -2.59 -0.04 0.00 0.35 0.00 0.00 41.96 39.61 3ig2 s TYR 613 CO 0.00 0.42 -0.14 -1.01 -1.34 0.00 0.00 175.55 173.48 3ig2 s HIS 614 N -0.46 1.48 -0.19 4.97 3.76 -0.13 -2.50 115.29 122.21 3ig2 s HIS 614 Ca 0.31 -0.57 -0.01 0.00 -0.15 0.00 0.00 55.06 54.64 3ig2 s HIS 614 Cb -0.19 -0.75 -0.00 0.00 1.11 0.00 0.00 32.58 32.75 3ig2 s HIS 614 CO 0.18 0.19 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.97 3ig2 s LEU 615 N -2.64 2.61 -0.04 0.89 2.96 -0.40 -1.10 118.68 120.96 3ig2 s LEU 615 Ca 0.12 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 3ig2 s LEU 615 Cb -0.04 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 3ig2 s LEU 615 CO 0.04 0.03 0.02 -0.83 -1.32 0.00 0.00 176.35 174.28 3ig2 s GLY 616 N 1.17 1.89 -0.08 7.98 0.00 0.27 -0.69 107.32 117.87 3ig2 s GLY 616 Ca 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.89 3ig2 s GLY 616 CO -0.04 -0.69 -0.13 1.08 0.00 0.00 0.00 173.10 173.32 3ig2 s LEU 617 N -1.27 1.64 -0.08 0.66 1.02 -0.11 -1.44 118.68 119.09 3ig2 s LEU 617 Ca 0.17 -0.34 0.03 0.00 0.02 0.00 0.00 54.13 54.01 3ig2 s LEU 617 Cb -0.12 -0.91 0.01 0.00 0.02 0.00 0.00 46.19 45.19 3ig2 s LEU 617 CO 0.07 0.02 -0.15 0.26 0.02 0.00 0.00 176.35 176.57 3ig2 s TRP 618 N 0.81 1.80 -0.09 0.29 0.51 0.15 -1.15 118.94 121.26 3ig2 s TRP 618 Ca -0.11 -0.73 -0.01 0.00 -2.12 0.00 0.00 56.10 53.13 3ig2 s TRP 618 Cb -0.15 -1.28 0.03 0.00 -0.81 0.00 0.00 33.47 31.25 3ig2 s TRP 618 CO 0.02 -0.35 -0.04 0.08 -0.51 0.00 0.00 176.95 176.15 3ig2 s VAL 619 N 0.66 0.74 0.45 4.03 1.01 0.64 -0.92 120.40 127.02 3ig2 s VAL 619 Ca -0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 3ig2 s VAL 619 Cb -0.16 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3ig2 s VAL 619 CO 0.04 0.32 0.76 0.42 0.00 0.00 0.00 175.10 176.64 3ig2 s THR 620 N 1.80 4.91 0.16 3.92 -4.23 -0.68 0.17 115.64 121.69 3ig2 s THR 620 Ca 0.04 0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 60.55 3ig2 s THR 620 Cb -0.12 -3.84 0.08 0.00 1.34 0.00 0.00 72.50 69.95 3ig2 s THR 620 CO -0.07 -0.76 1.07 -0.83 -0.54 0.00 0.00 174.62 173.50 3ig2 s GLY 621 N -3.92 0.12 0.00 3.99 0.00 -0.70 -4.57 107.32 102.24 3ig2 s GLY 621 Ca 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.85 3ig2 s GLY 621 CO 0.42 3.14 0.00 -1.14 0.00 0.00 0.00 173.10 175.52 3ig2 n SER 625 N -1.27 0.00 -0.00 1.64 3.41 -1.26 -4.47 113.62 111.67 3ig2 n SER 625 Ca -0.02 -0.64 0.03 0.00 -0.26 0.00 0.00 58.87 57.99 3ig2 n SER 625 Cb 0.59 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 3ig2 n SER 625 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ig2 n ASN 626 N -1.91 1.32 -4.77 4.04 4.13 -1.26 -4.77 115.26 112.03 3ig2 n ASN 626 Ca 0.00 -0.45 -0.38 0.00 1.68 0.00 0.00 54.58 55.43 3ig2 n ASN 626 Cb 0.00 1.10 -0.06 0.00 -1.54 0.00 0.00 39.78 39.28 3ig2 n ASN 626 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3ig2 s SER 627 N -2.00 7.45 0.28 6.41 0.01 -1.26 -4.95 113.70 119.64 3ig2 s SER 627 Ca 0.01 1.89 -0.00 0.00 1.31 0.00 0.00 55.95 59.16 3ig2 s SER 627 Cb 0.05 -2.59 0.50 0.00 0.21 0.00 0.00 66.02 64.18 3ig2 s SER 627 CO 0.28 0.01 1.87 -0.25 0.41 0.00 0.00 173.24 175.55 3ig2 h TRP 628 N 3.55 1.15 -0.82 2.43 2.91 -2.14 -2.49 115.95 120.55 3ig2 h TRP 628 Ca -0.46 0.03 0.13 0.00 1.13 0.00 0.00 58.89 59.72 3ig2 h TRP 628 Cb 1.20 -0.37 -0.06 0.00 -0.51 0.00 0.00 29.16 29.41 3ig2 h TRP 628 CO 0.61 0.54 0.53 0.00 -1.03 0.00 0.00 178.44 179.09 3ig2 h ALA 629 N 1.50 1.89 -3.00 2.65 0.00 -2.01 -3.53 119.26 116.77 3ig2 h ALA 629 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3ig2 h ALA 629 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ig2 h ALA 629 CO -0.21 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.66 3ig2 n HIS 630 N -4.52 0.00 -4.20 0.00 8.25 -0.94 -5.17 115.22 108.64 3ig2 n HIS 630 Ca 0.15 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.28 3ig2 n HIS 630 Cb 0.44 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.47 3ig2 n HIS 630 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3ig2 s THR 635 N 2.64 4.51 0.05 1.59 -1.32 -1.26 -4.57 115.64 117.28 3ig2 s THR 635 Ca 0.00 -0.40 -0.23 0.00 -1.21 0.00 0.00 61.69 59.85 3ig2 s THR 635 Cb 0.00 -3.01 0.08 0.00 -1.51 0.00 0.00 72.50 68.06 3ig2 s THR 635 CO 0.00 0.43 1.07 -1.54 -2.21 0.00 0.00 174.62 172.36 3ig2 n SER 636 N 1.49 -1.26 0.06 8.08 3.41 -1.26 -5.03 113.62 119.10 3ig2 n SER 636 Ca -0.15 -1.45 0.12 0.00 -0.26 0.00 0.00 58.87 57.13 3ig2 n SER 636 Cb 0.53 2.01 0.47 0.00 -0.26 0.00 0.00 64.21 66.96 3ig2 n SER 636 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3ig2 n VAL 637 N -0.76 0.53 -0.31 -3.33 3.14 -1.26 -4.07 118.33 112.27 3ig2 n VAL 637 Ca 0.02 0.01 -0.01 0.00 -2.96 0.00 0.00 64.34 61.40 3ig2 n VAL 637 Cb 0.52 -0.75 0.17 0.00 -1.06 0.00 0.00 33.84 32.72 3ig2 n VAL 637 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 3ig2 h TYR 638 N 0.00 1.13 -0.38 1.45 0.99 -2.00 -1.13 116.97 117.04 3ig2 h TYR 638 Ca 0.00 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.65 3ig2 h TYR 638 Cb 0.49 -0.38 -0.02 0.00 1.00 0.00 0.00 36.73 37.83 3ig2 h TYR 638 CO 0.00 0.72 -0.19 1.05 -0.00 0.00 0.00 178.16 179.74 3ig2 h GLU 639 N 1.22 0.72 -0.43 4.88 4.11 -2.01 -1.96 114.58 121.11 3ig2 h GLU 639 Ca 0.33 -0.27 -0.05 0.00 0.07 0.00 0.00 59.36 59.44 3ig2 h GLU 639 Cb -0.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3ig2 h GLU 639 CO -0.07 0.86 0.08 1.25 0.07 0.00 0.00 179.01 181.20 3ig2 h LEU 640 N 0.64 0.67 -0.60 3.06 5.85 -1.52 -2.07 115.31 121.34 3ig2 h LEU 640 Ca 0.10 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 58.68 3ig2 h LEU 640 Cb 0.67 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 3ig2 h LEU 640 CO 0.05 0.75 0.12 0.50 -0.34 0.00 0.00 178.44 179.52 3ig2 h LYS 641 N 0.57 0.24 -0.47 1.25 3.64 -1.02 -1.21 116.57 119.56 3ig2 h LYS 641 Ca 0.13 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3ig2 h LYS 641 Cb 0.36 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 3ig2 h LYS 641 CO 0.01 0.16 0.27 0.00 -2.27 0.00 0.00 179.45 177.61 3ig2 h ALA 642 N 1.49 0.60 -0.61 5.00 0.00 -0.99 0.23 119.26 124.97 3ig2 h ALA 642 Ca 0.32 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3ig2 h ALA 642 Cb 0.48 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3ig2 h ALA 642 CO -0.42 -0.05 0.40 1.88 0.00 0.00 0.00 179.25 181.06 3ig2 h TYR 643 N 0.54 0.76 -0.56 0.00 0.05 -0.84 -0.84 116.97 116.07 3ig2 h TYR 643 Ca 0.19 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.96 3ig2 h TYR 643 Cb 0.03 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 3ig2 h TYR 643 CO -0.07 0.47 0.24 0.28 -1.05 0.00 0.00 178.16 178.02 3ig2 h VAL 644 N 0.81 1.22 -0.77 -2.88 2.07 -0.66 -1.76 116.25 114.28 3ig2 h VAL 644 Ca 0.23 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 3ig2 h VAL 644 Cb -0.07 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3ig2 h VAL 644 CO -0.06 0.26 0.28 -0.08 0.02 0.00 0.00 177.57 177.98 3ig2 h GLU 645 N 0.77 1.17 -0.01 1.57 4.81 -0.31 -0.19 114.58 122.38 3ig2 h GLU 645 Ca 0.19 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 3ig2 h GLU 645 Cb 0.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3ig2 h GLU 645 CO -0.02 0.97 -0.30 -0.91 -0.73 0.00 0.00 179.01 178.02 3ig2 h ASN 646 N 1.12 0.02 -0.01 1.04 2.35 -0.89 -1.15 115.58 118.07 3ig2 h ASN 646 Ca 0.25 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3ig2 h ASN 646 Cb 0.26 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3ig2 h ASN 646 CO -0.01 0.32 -0.01 0.40 -1.65 0.00 0.00 177.43 176.47 3ig2 h ILE 647 N 0.02 1.41 -0.66 2.81 2.04 -0.61 -1.72 117.51 120.80 3ig2 h ILE 647 Ca 0.00 -1.22 0.13 0.00 1.00 0.00 0.00 64.86 64.77 3ig2 h ILE 647 Cb 0.54 2.20 -0.09 0.00 -0.74 0.00 0.00 36.82 38.73 3ig2 h ILE 647 CO 0.04 0.32 0.18 -0.26 0.00 0.00 0.00 178.15 178.43 3ig2 h PHE 648 N -0.47 0.29 -0.31 1.37 0.04 -0.69 -1.57 116.94 115.61 3ig2 h PHE 648 Ca 0.00 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 3ig2 h PHE 648 Cb 0.53 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3ig2 h PHE 648 CO 0.10 -0.01 0.07 0.87 -0.60 0.00 0.00 178.31 178.74 3ig2 h LYS 649 N 0.31 0.49 -0.93 1.51 1.57 -1.25 -1.14 116.57 117.14 3ig2 h LYS 649 Ca 0.35 -0.12 0.23 0.00 -1.87 0.00 0.00 60.65 59.24 3ig2 h LYS 649 Cb 0.54 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 3ig2 h LYS 649 CO -0.42 0.57 0.63 -0.09 -0.57 0.00 0.00 179.45 179.57 3ig2 h ARG 650 N 0.33 0.28 -0.29 3.15 9.65 -0.62 0.04 114.38 126.93 3ig2 h ARG 650 Ca 0.10 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3ig2 h ARG 650 Cb 0.30 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3ig2 h ARG 650 CO 0.00 0.19 0.00 1.28 2.80 0.00 0.00 179.97 184.24 3ig2 n LEU 651 N -4.46 2.26 -1.24 3.80 4.77 -0.65 -4.93 117.00 116.54 3ig2 n LEU 651 Ca 0.20 -1.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.03 3ig2 n LEU 651 Cb 0.80 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.65 3ig2 n LEU 651 CO 0.32 0.50 -0.15 0.61 -1.33 0.00 0.00 177.39 177.34 3ig2 n GLY 652 N 1.24 1.26 3.71 -0.72 0.00 -0.00 -4.97 105.19 105.71 3ig2 n GLY 652 Ca 0.17 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3ig2 n GLY 652 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ig2 s LEU 653 N -3.57 4.37 -0.54 0.99 2.96 -0.49 -4.97 118.68 117.44 3ig2 s LEU 653 Ca 0.00 2.18 -0.28 0.00 -0.22 0.00 0.00 54.13 55.81 3ig2 s LEU 653 Cb 0.00 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.13 3ig2 s LEU 653 CO 0.00 -0.56 1.29 -0.62 -1.32 0.00 0.00 176.35 175.14 3ig2 s ASP 654 N 1.05 6.35 0.41 3.68 2.15 -1.26 -4.60 116.67 124.45 3ig2 s ASP 654 Ca 0.62 0.30 0.11 0.00 0.43 0.00 0.00 52.55 54.01 3ig2 s ASP 654 Cb -0.33 -2.55 0.94 0.00 -0.30 0.00 0.00 42.92 40.68 3ig2 s ASP 654 CO 0.30 -1.53 1.96 -0.07 -0.17 0.00 0.00 175.17 175.66 3ig2 h LEU 655 N 12.28 0.47 -0.39 -1.34 4.07 -1.95 -2.91 115.31 125.53 3ig2 h LEU 655 Ca -0.26 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.71 3ig2 h LEU 655 Cb 1.08 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.73 3ig2 h LEU 655 CO 1.16 0.28 0.00 1.41 -1.08 0.00 0.00 178.44 180.22 3ig2 n HIS 656 N -4.48 0.78 1.03 1.13 8.25 -1.26 -2.37 115.22 118.30 3ig2 n HIS 656 Ca 0.11 0.27 0.12 0.00 -0.26 0.00 0.00 57.72 57.96 3ig2 n HIS 656 Cb 0.35 -0.94 0.33 0.00 1.12 0.00 0.00 29.99 30.84 3ig2 n HIS 656 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3ig2 n SER 657 N -2.18 2.25 -4.82 0.41 3.41 -1.10 -4.98 113.62 106.61 3ig2 n SER 657 Ca 0.04 -1.78 -0.37 0.00 -0.26 0.00 0.00 58.87 56.50 3ig2 n SER 657 Cb 0.30 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 3ig2 n SER 657 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ig2 s LEU 658 N -1.69 4.43 -0.20 1.04 1.43 -1.00 -3.23 118.68 119.46 3ig2 s LEU 658 Ca 0.34 1.25 -0.04 0.00 -1.03 0.00 0.00 54.13 54.65 3ig2 s LEU 658 Cb 0.20 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 3ig2 s LEU 658 CO 0.29 0.16 -0.03 -0.69 0.23 0.00 0.00 176.35 176.31 3ig2 s VAL 659 N -1.32 3.68 -0.08 -1.59 1.01 -0.41 -4.96 120.40 116.72 3ig2 s VAL 659 Ca 0.35 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3ig2 s VAL 659 Cb -0.18 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3ig2 s VAL 659 CO 0.20 0.44 -0.04 -0.69 0.00 0.00 0.00 175.10 175.01 3ig2 s VAL 660 N 1.03 3.97 0.22 2.92 1.01 -1.26 -0.62 120.40 127.67 3ig2 s VAL 660 Ca 0.01 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3ig2 s VAL 660 Cb -0.15 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3ig2 s VAL 660 CO 0.01 0.59 0.02 -0.83 0.00 0.00 0.00 175.10 174.89 3ig2 s GLY 661 N -0.76 1.49 0.27 4.51 0.00 -0.59 -4.95 107.32 107.29 3ig2 s GLY 661 Ca 0.12 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.11 3ig2 s GLY 661 CO 0.02 -1.61 0.44 -1.31 0.00 0.00 0.00 173.10 170.64 3ig2 s ASN 662 N -3.27 6.34 -0.16 1.64 0.01 -1.26 -0.48 114.94 117.75 3ig2 s ASN 662 Ca 0.29 0.34 -0.11 0.00 -0.71 0.00 0.00 52.86 52.67 3ig2 s ASN 662 Cb 0.06 -1.98 0.05 0.00 0.41 0.00 0.00 41.25 39.79 3ig2 s ASN 662 CO 0.08 -0.15 0.40 -0.22 -1.51 0.00 0.00 177.10 175.71 3ig2 s LEU 663 N -3.87 0.14 -0.05 0.60 0.20 -0.12 -4.78 118.68 110.82 3ig2 s LEU 663 Ca 0.38 0.85 0.01 0.00 0.69 0.00 0.00 54.13 56.06 3ig2 s LEU 663 Cb -0.10 1.35 0.02 0.00 -0.43 0.00 0.00 46.19 47.03 3ig2 s LEU 663 CO 0.32 -0.17 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.61 3ig2 s SER 664 N 0.91 1.07 0.00 3.68 0.15 -1.26 -0.33 113.70 117.91 3ig2 s SER 664 Ca -0.06 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.45 3ig2 s SER 664 Cb -0.06 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 3ig2 s SER 664 CO -0.07 -0.06 0.00 -0.90 1.20 0.00 0.00 173.24 173.41 3ig2 n ASP 665 N 4.11 0.00 0.23 5.45 3.85 0.12 -4.97 116.55 125.34 3ig2 n ASP 665 Ca -0.23 -0.72 0.16 0.00 -0.71 0.00 0.00 54.79 53.29 3ig2 n ASP 665 Cb 0.51 0.00 0.80 0.00 -1.35 0.00 0.00 41.12 41.07 3ig2 n ASP 665 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 3ig2 h ASP 666 N 0.00 0.00 0.00 -1.12 -0.00 -2.00 -3.11 116.42 110.19 3ig2 h ASP 666 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.03 56.63 3ig2 h ASP 666 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.27 3ig2 h ASP 666 CO 0.00 0.00 -2.21 -0.38 -0.00 0.00 0.00 179.24 176.65 3ig2 n ILE 667 N -2.63 1.53 -4.32 4.15 -0.00 -1.26 -4.69 119.36 112.14 3ig2 n ILE 667 Ca -0.01 -0.29 -0.34 0.00 -0.00 0.00 0.00 62.75 62.11 3ig2 n ILE 667 Cb 0.11 -1.93 -0.11 0.00 -0.00 0.00 0.00 39.64 37.71 3ig2 n ILE 667 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 3ig2 s TYR 668 N -2.48 3.09 0.07 1.39 2.02 -1.17 -0.27 117.35 120.00 3ig2 s TYR 668 Ca -0.36 -0.13 -0.17 0.00 -0.37 0.00 0.00 57.07 56.04 3ig2 s TYR 668 Cb 0.13 -1.95 -0.14 0.00 -0.40 0.00 0.00 41.96 39.60 3ig2 s TYR 668 CO 0.51 0.10 1.32 0.66 -1.57 0.00 0.00 175.55 176.57 3ig2 h SER 669 N 6.40 0.65 -3.67 2.29 4.64 -0.90 0.36 113.55 123.32 3ig2 h SER 669 Ca -0.36 -0.55 -0.27 0.00 -0.47 0.00 0.00 61.79 60.13 3ig2 h SER 669 Cb 1.18 -0.19 -0.30 0.00 -0.31 0.00 0.00 62.40 62.79 3ig2 h SER 669 CO 0.63 1.08 -0.73 0.28 -0.87 0.00 0.00 176.83 177.22 3ig2 s THR 670 N -4.03 0.07 0.12 2.95 -1.32 -1.24 -4.64 115.64 107.55 3ig2 s THR 670 Ca -0.13 0.03 -0.14 0.00 -1.21 0.00 0.00 61.69 60.24 3ig2 s THR 670 Cb 0.07 -0.11 0.03 0.00 -1.51 0.00 0.00 72.50 70.98 3ig2 s THR 670 CO 0.82 0.06 0.36 0.00 -2.21 0.00 0.00 174.62 173.65 3ig2 s ALA 671 N 0.37 -0.76 -0.04 11.08 0.00 0.55 -0.71 121.76 132.24 3ig2 s ALA 671 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3ig2 s ALA 671 Cb -0.05 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3ig2 s ALA 671 CO -0.01 -0.63 -0.01 -0.51 0.00 0.00 0.00 175.76 174.61 3ig2 s LEU 672 N -2.83 3.50 0.02 0.00 1.43 -0.37 -0.94 118.68 119.50 3ig2 s LEU 672 Ca 0.04 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3ig2 s LEU 672 Cb 0.02 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3ig2 s LEU 672 CO -0.11 0.33 0.01 0.42 0.23 0.00 0.00 176.35 177.23 3ig2 s THR 673 N -0.97 4.17 -0.15 5.49 -4.23 0.37 -1.56 115.64 118.76 3ig2 s THR 673 Ca 0.16 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 3ig2 s THR 673 Cb -0.11 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.86 3ig2 s THR 673 CO 0.06 0.32 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.63 3ig2 s VAL 674 N -1.14 1.55 0.27 2.29 1.01 0.86 -1.54 120.40 123.70 3ig2 s VAL 674 Ca 0.21 -0.65 0.11 0.00 0.00 0.00 0.00 61.98 61.66 3ig2 s VAL 674 Cb -0.12 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3ig2 s VAL 674 CO 0.12 0.43 -0.16 0.20 0.00 0.00 0.00 175.10 175.69 3ig2 s ASN 675 N 1.49 3.79 0.84 3.32 0.01 0.21 -0.26 114.94 124.34 3ig2 s ASN 675 Ca 0.04 -0.93 -0.11 0.00 -0.71 0.00 0.00 52.86 51.16 3ig2 s ASN 675 Cb -0.13 -0.42 0.10 0.00 0.41 0.00 0.00 41.25 41.20 3ig2 s ASN 675 CO -0.10 0.04 1.09 0.42 -1.51 0.00 0.00 177.10 177.04 3ig2 s THR 676 N -2.39 2.96 0.22 1.60 -4.23 -0.61 -1.29 115.64 111.90 3ig2 s THR 676 Ca 0.29 0.31 -0.17 0.00 -1.18 0.00 0.00 61.69 60.95 3ig2 s THR 676 Cb -0.06 -2.77 0.22 0.00 1.34 0.00 0.00 72.50 71.23 3ig2 s THR 676 CO 0.16 -0.41 1.58 0.07 -0.54 0.00 0.00 174.62 175.48 3ig2 h LYS 677 N -1.36 -0.07 0.00 3.99 -0.00 -1.91 -1.13 116.57 116.09 3ig2 h LYS 677 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 3ig2 h LYS 677 Cb 1.26 0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 3ig2 h LYS 677 CO 0.52 -0.04 0.00 0.41 -0.00 0.00 0.00 179.45 180.34 3ig2 n GLY 678 N -1.47 -1.15 0.00 0.07 0.00 -1.26 -4.89 105.19 96.49 3ig2 n GLY 678 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3ig2 n GLY 678 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ig2 n GLY 679 N -0.18 0.91 3.71 -0.02 0.00 -0.43 -5.10 105.19 104.09 3ig2 n GLY 679 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3ig2 n GLY 679 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ig2 s LYS 680 N -0.49 4.45 -0.03 1.61 1.02 -1.26 -4.78 119.74 120.26 3ig2 s LYS 680 Ca 0.00 1.73 -0.30 0.00 0.02 0.00 0.00 55.97 57.42 3ig2 s LYS 680 Cb 0.00 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 3ig2 s LYS 680 CO 0.00 -0.23 1.45 0.50 -0.92 0.00 0.00 175.35 176.16 3ig2 s ARG 681 N 1.02 4.25 -0.19 1.68 6.06 -1.26 -1.57 118.95 128.92 3ig2 s ARG 681 Ca 0.58 1.99 0.10 0.00 -2.50 0.00 0.00 55.73 55.90 3ig2 s ARG 681 Cb -0.28 -3.70 -0.19 0.00 0.06 0.00 0.00 34.95 30.83 3ig2 s ARG 681 CO 0.29 -0.67 -0.04 1.28 -2.50 0.00 0.00 175.30 173.67 3ig2 n LEU 682 N 6.00 1.12 -3.47 -0.88 4.77 0.64 -4.75 117.00 120.42 3ig2 n LEU 682 Ca 0.14 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 3ig2 n LEU 682 Cb 0.43 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3ig2 n LEU 682 CO 0.59 0.60 0.52 0.00 -1.33 0.00 0.00 177.39 177.78 3ig2 s ALA 683 N -2.44 -1.72 -0.01 -1.18 0.00 -0.91 -0.63 121.76 114.87 3ig2 s ALA 683 Ca -0.17 0.86 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 3ig2 s ALA 683 Cb 0.06 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.68 3ig2 s ALA 683 CO 0.65 -0.65 0.02 0.99 0.00 0.00 0.00 175.76 176.77 3ig2 s THR 684 N -2.96 -0.02 -0.15 0.00 2.01 -0.62 -0.10 115.64 113.80 3ig2 s THR 684 Ca 0.00 0.08 -0.18 0.00 0.31 0.00 0.00 61.69 61.89 3ig2 s THR 684 Cb -0.01 -0.05 0.05 0.00 0.01 0.00 0.00 72.50 72.50 3ig2 s THR 684 CO -0.07 0.03 0.49 0.72 -0.69 0.00 0.00 174.62 175.10 3ig2 s PHE 685 N 0.39 -0.51 -1.76 4.92 -0.12 -0.60 -0.71 117.98 119.59 3ig2 s PHE 685 Ca -0.03 1.17 0.00 0.00 -0.05 0.00 0.00 56.93 58.02 3ig2 s PHE 685 Cb -0.05 0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.54 3ig2 s PHE 685 CO -0.01 -0.32 0.00 0.41 -0.05 0.00 0.00 175.22 175.25 3ig2 n GLY 686 N 2.40 -0.62 3.65 1.99 0.00 -0.49 -1.24 105.19 110.88 3ig2 n GLY 686 Ca -0.15 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 3ig2 n GLY 686 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ig2 s VAL 687 N -3.53 5.34 0.29 1.61 1.01 0.11 -1.42 120.40 123.80 3ig2 s VAL 687 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 3ig2 s VAL 687 Cb 0.00 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 3ig2 s VAL 687 CO 0.00 0.32 1.17 -0.69 0.00 0.00 0.00 175.10 175.90 3ig2 s VAL 688 N 1.22 3.27 0.47 2.92 1.01 -0.79 -0.35 120.40 128.14 3ig2 s VAL 688 Ca 0.08 1.26 -0.23 0.00 0.00 0.00 0.00 61.98 63.09 3ig2 s VAL 688 Cb -0.14 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 3ig2 s VAL 688 CO 0.06 0.29 1.12 0.35 0.00 0.00 0.00 175.10 176.93 3ig2 n THR 689 N 1.21 2.85 0.09 3.92 -2.24 0.63 -4.56 114.28 116.17 3ig2 n THR 689 Ca -0.00 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.32 3ig2 n THR 689 Cb 0.44 -1.35 0.47 0.00 -2.10 0.00 0.00 70.33 67.79 3ig2 n THR 689 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3ig2 h LYS 690 N 1.52 0.35 -0.13 -0.78 -0.00 -1.93 -2.71 116.57 112.89 3ig2 h LYS 690 Ca -0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 3ig2 h LYS 690 Cb 1.32 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 3ig2 h LYS 690 CO 0.57 0.28 0.00 1.17 -0.00 0.00 0.00 179.45 181.47 3ig2 n LYS 691 N -4.44 0.04 0.00 0.07 4.81 -1.26 -1.05 118.16 116.32 3ig2 n LYS 691 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3ig2 n LYS 691 Cb 0.11 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.12 3ig2 n LYS 691 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3ig2 n LEU 693 N 0.50 0.00 -0.24 3.14 4.77 -1.02 -1.66 117.00 122.49 3ig2 n LEU 693 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3ig2 n LEU 693 Cb 0.01 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.24 3ig2 n LEU 693 CO 0.00 0.00 1.05 0.11 -1.33 0.00 0.00 177.39 177.22 3ig2 h LYS 694 N 0.00 0.55 -0.93 3.23 1.57 -1.24 0.65 116.57 120.39 3ig2 h LYS 694 Ca 0.00 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3ig2 h LYS 694 Cb 0.00 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.13 3ig2 h LYS 694 CO 0.00 0.36 0.60 0.00 -0.57 0.00 0.00 179.45 179.84 3ig2 h ALA 695 N 1.43 1.24 -0.43 3.86 0.00 -1.59 -2.67 119.26 121.11 3ig2 h ALA 695 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ig2 h ALA 695 Cb 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ig2 h ALA 695 CO -0.28 0.45 0.00 1.19 0.00 0.00 0.00 179.25 180.61 3ig2 n PHE 696 N -4.51 1.20 -2.48 0.00 3.72 -0.92 -4.91 117.46 109.56 3ig2 n PHE 696 Ca 0.12 -0.44 -0.19 0.00 -0.05 0.00 0.00 57.45 56.89 3ig2 n PHE 696 Cb 0.11 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 3ig2 n PHE 696 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ig2 n ASP 697 N 0.59 -5.44 -4.52 4.37 10.43 -1.01 -4.67 116.55 116.30 3ig2 n ASP 697 Ca 0.18 -0.07 -0.36 0.00 2.57 0.00 0.00 54.79 57.11 3ig2 n ASP 697 Cb 0.75 -4.45 -0.12 0.00 1.84 0.00 0.00 41.12 39.15 3ig2 n ASP 697 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3ig2 s VAL 698 N -2.97 4.59 0.90 2.53 1.01 0.17 -4.81 120.40 121.83 3ig2 s VAL 698 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3ig2 s VAL 698 Cb -0.03 -3.13 0.19 0.00 0.00 0.00 0.00 36.38 33.41 3ig2 s VAL 698 CO 0.07 0.36 1.24 -1.81 0.00 0.00 0.00 175.10 174.96 3ig2 s ASP 699 N 1.26 3.39 0.26 3.32 -0.00 -1.26 -4.12 116.67 119.52 3ig2 s ASP 699 Ca 0.05 0.03 0.00 0.00 -0.00 0.00 0.00 52.55 52.64 3ig2 s ASP 699 Cb -0.14 -0.14 0.00 0.00 -0.00 0.00 0.00 42.92 42.63 3ig2 s ASP 699 CO 0.04 -2.53 0.00 0.59 -0.00 0.00 0.00 175.17 173.27 3ig2 n ASN 700 N -3.52 0.00 -4.57 0.27 5.03 -1.26 -4.75 115.26 106.46 3ig2 n ASN 700 Ca 0.16 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.30 3ig2 n ASN 700 Cb 0.60 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.25 3ig2 n ASN 700 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3ig2 s GLU 701 N 0.00 2.35 -0.08 3.52 0.41 -1.26 -5.00 118.70 118.64 3ig2 s GLU 701 Ca 0.00 -0.86 0.01 0.00 -0.41 0.00 0.00 54.97 53.71 3ig2 s GLU 701 Cb 0.00 -2.39 0.02 0.00 -1.78 0.00 0.00 34.13 29.98 3ig2 s GLU 701 CO 0.00 0.56 -0.09 0.08 -0.49 0.00 0.00 175.26 175.32 3ig2 s VAL 702 N -1.06 0.99 -0.19 2.63 1.01 -1.26 -1.72 120.40 120.79 3ig2 s VAL 702 Ca 0.18 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 3ig2 s VAL 702 Cb -0.11 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3ig2 s VAL 702 CO 0.09 0.34 0.06 -0.31 0.00 0.00 0.00 175.10 175.28 3ig2 s TYR 703 N 1.09 3.21 -0.03 5.22 1.51 0.13 -1.89 117.35 126.58 3ig2 s TYR 703 Ca -0.07 -0.02 0.05 0.00 -1.01 0.00 0.00 57.07 56.02 3ig2 s TYR 703 Cb -0.14 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 3ig2 s TYR 703 CO -0.01 0.06 -0.17 -0.47 -1.11 0.00 0.00 175.55 173.85 3ig2 s TYR 704 N 0.58 1.61 -0.03 2.71 5.04 -0.51 -0.26 117.35 126.49 3ig2 s TYR 704 Ca 0.03 -0.40 0.05 0.00 -2.44 0.00 0.00 57.07 54.31 3ig2 s TYR 704 Cb -0.13 -1.07 -0.01 0.00 0.35 0.00 0.00 41.96 41.10 3ig2 s TYR 704 CO 0.01 -0.11 -0.18 0.00 -1.34 0.00 0.00 175.55 173.94 3ig2 s ALA 705 N -0.12 1.53 -0.20 3.97 0.00 -0.30 -1.39 121.76 125.25 3ig2 s ALA 705 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3ig2 s ALA 705 Cb -0.09 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 22.62 3ig2 s ALA 705 CO 0.01 0.33 -0.11 0.34 0.00 0.00 0.00 175.76 176.33 3ig2 s ASP 706 N -0.19 3.35 -0.16 0.00 2.15 0.12 -0.94 116.67 121.00 3ig2 s ASP 706 Ca 0.02 -0.86 -0.06 0.00 0.43 0.00 0.00 52.55 52.08 3ig2 s ASP 706 Cb -0.09 -1.24 -0.04 0.00 -0.30 0.00 0.00 42.92 41.25 3ig2 s ASP 706 CO 0.01 -0.13 0.04 -0.76 -0.17 0.00 0.00 175.17 174.15 3ig2 s LEU 707 N 1.39 3.71 -1.07 -1.34 1.02 0.13 -1.59 118.68 120.94 3ig2 s LEU 707 Ca -0.01 0.08 -0.19 0.00 0.02 0.00 0.00 54.13 54.03 3ig2 s LEU 707 Cb -0.16 -1.91 0.10 0.00 0.02 0.00 0.00 46.19 44.24 3ig2 s LEU 707 CO -0.08 0.22 1.38 0.21 0.02 0.00 0.00 176.35 178.10 3ig2 s ASN 708 N 0.07 6.71 0.20 2.29 3.84 0.19 -1.28 114.94 126.96 3ig2 s ASN 708 Ca 0.04 -2.11 -0.11 0.00 0.21 0.00 0.00 52.86 50.89 3ig2 s ASN 708 Cb -0.12 -2.48 0.25 0.00 -0.55 0.00 0.00 41.25 38.35 3ig2 s ASN 708 CO 0.01 -1.16 1.70 -0.25 -2.79 0.00 0.00 177.10 174.61 3ig2 h TRP 709 N 8.61 0.11 -0.48 0.43 2.91 -1.78 -0.93 115.95 124.81 3ig2 h TRP 709 Ca 0.25 0.04 0.08 0.00 1.13 0.00 0.00 58.89 60.38 3ig2 h TRP 709 Cb 0.97 0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 29.59 3ig2 h TRP 709 CO 1.23 -0.06 0.10 0.87 -1.03 0.00 0.00 178.44 179.55 3ig2 h LYS 710 N 0.20 0.24 0.00 2.65 1.79 -1.86 0.73 116.57 120.31 3ig2 h LYS 710 Ca 0.29 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3ig2 h LYS 710 Cb 0.43 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3ig2 h LYS 710 CO -0.41 0.16 0.00 0.93 -1.08 0.00 0.00 179.45 179.05 3ig2 h GLU 711 N 0.24 0.00 -0.01 3.15 4.39 -1.51 -3.51 114.58 117.33 3ig2 h GLU 711 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3ig2 h GLU 711 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3ig2 h GLU 711 CO -0.31 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.82