#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig2 h SER 506 N 0.00 0.88 -0.24 3.14 0.87 -2.02 -1.02 113.55 115.16 3ig2 h SER 506 Ca 0.00 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 3ig2 h SER 506 Cb 0.00 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3ig2 h SER 506 CO 0.00 0.59 -0.14 0.78 -0.53 0.00 0.00 176.83 177.54 3ig2 h ASN 507 N 1.01 0.53 -0.13 6.23 2.35 -2.05 0.53 115.58 124.04 3ig2 h ASN 507 Ca 0.34 -0.42 0.04 0.00 -0.55 0.00 0.00 56.30 55.70 3ig2 h ASN 507 Cb 0.08 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 3ig2 h ASN 507 CO -0.11 0.84 -0.10 0.50 -1.65 0.00 0.00 177.43 176.91 3ig2 h LYS 508 N 0.22 -0.11 -0.61 0.81 3.64 -1.91 -2.12 116.57 116.49 3ig2 h LYS 508 Ca 0.05 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3ig2 h LYS 508 Cb 0.65 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3ig2 h LYS 508 CO 0.04 -0.07 0.07 -0.07 -2.27 0.00 0.00 179.45 177.15 3ig2 h LEU 509 N -0.11 0.96 -0.64 5.20 3.38 -1.09 -1.36 115.31 121.64 3ig2 h LEU 509 Ca 0.08 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3ig2 h LEU 509 Cb 0.23 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3ig2 h LEU 509 CO -0.20 0.98 0.37 1.56 0.09 0.00 0.00 178.44 181.24 3ig2 h GLN 510 N 0.94 0.68 -0.48 1.13 4.20 -0.72 0.14 115.11 121.01 3ig2 h GLN 510 Ca 0.18 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3ig2 h GLN 510 Cb 0.45 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3ig2 h GLN 510 CO 0.02 0.45 0.17 -0.97 -0.67 0.00 0.00 178.83 177.83 3ig2 h ASN 511 N 0.70 0.67 -0.49 1.46 -1.24 -0.99 -0.98 115.58 114.72 3ig2 h ASN 511 Ca 0.28 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 3ig2 h ASN 511 Cb 0.12 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 3ig2 h ASN 511 CO -0.15 0.67 0.25 -0.07 -1.29 0.00 0.00 177.43 176.84 3ig2 h LEU 512 N 0.63 0.63 -0.73 0.34 4.07 -0.78 -0.19 115.31 119.27 3ig2 h LEU 512 Ca 0.16 -0.12 -0.09 0.00 0.08 0.00 0.00 57.88 57.91 3ig2 h LEU 512 Cb 0.22 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 3ig2 h LEU 512 CO -0.01 0.57 -0.06 0.58 -1.08 0.00 0.00 178.44 178.43 3ig2 h VAL 513 N 0.64 1.26 -0.30 1.22 2.07 -0.85 -1.49 116.25 118.80 3ig2 h VAL 513 Ca 0.17 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3ig2 h VAL 513 Cb 0.10 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3ig2 h VAL 513 CO -0.02 0.41 0.15 0.00 0.02 0.00 0.00 177.57 178.13 3ig2 h ALA 514 N 1.10 0.39 -0.85 1.67 0.00 -0.85 -0.34 119.26 120.39 3ig2 h ALA 514 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ig2 h ALA 514 Cb 0.58 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3ig2 h ALA 514 CO 0.03 -0.06 0.48 0.93 0.00 0.00 0.00 179.25 180.64 3ig2 h GLU 515 N 0.36 1.18 -0.31 0.00 5.08 -0.87 0.01 114.58 120.03 3ig2 h GLU 515 Ca 0.11 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3ig2 h GLU 515 Cb 0.10 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3ig2 h GLU 515 CO -0.01 0.85 0.04 0.37 -1.00 0.00 0.00 179.01 179.26 3ig2 h GLN 516 N 1.18 0.51 -0.49 2.33 4.15 -1.03 -0.35 115.11 121.41 3ig2 h GLN 516 Ca 0.30 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 3ig2 h GLN 516 Cb 0.01 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3ig2 h GLN 516 CO -0.05 0.62 0.12 -0.07 -1.93 0.00 0.00 178.83 177.52 3ig2 h LEU 517 N 0.33 0.75 -0.71 -2.39 3.38 -0.84 -2.17 115.31 113.67 3ig2 h LEU 517 Ca 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3ig2 h LEU 517 Cb 0.36 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3ig2 h LEU 517 CO 0.01 0.79 0.40 0.58 0.09 0.00 0.00 178.44 180.30 3ig2 h VAL 518 N 0.68 1.22 -0.44 1.22 2.07 -0.94 -0.59 116.25 119.46 3ig2 h VAL 518 Ca 0.16 -0.53 0.12 0.00 0.82 0.00 0.00 66.70 67.27 3ig2 h VAL 518 Cb 0.33 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3ig2 h VAL 518 CO 0.00 0.23 0.31 1.23 0.02 0.00 0.00 177.57 179.37 3ig2 h GLY 519 N 0.98 0.04 -2.00 2.17 0.00 -0.70 -0.58 103.07 102.98 3ig2 h GLY 519 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3ig2 h GLY 519 CO -0.04 0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.50 3ig2 n GLY 521 N 1.08 0.70 3.85 0.00 0.00 -0.23 -5.06 105.19 105.52 3ig2 n GLY 521 Ca 0.17 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.43 -0.07 1.61 0.08 -0.42 -4.62 117.98 115.99 3ig2 s PHE 522 Ca 0.00 1.38 0.03 0.00 0.12 0.00 0.00 56.93 58.46 3ig2 s PHE 522 Cb 0.00 -2.71 -0.02 0.00 -0.57 0.00 0.00 43.02 39.72 3ig2 s PHE 522 CO 0.00 -0.24 -0.15 -0.80 -0.10 0.00 0.00 175.22 173.92 3ig2 s ASN 523 N -2.91 3.90 0.27 1.36 0.01 -0.03 -4.16 114.94 113.40 3ig2 s ASN 523 Ca 0.57 -0.27 -0.29 0.00 -0.71 0.00 0.00 52.86 52.16 3ig2 s ASN 523 Cb -0.10 -1.03 -0.09 0.00 0.41 0.00 0.00 41.25 40.44 3ig2 s ASN 523 CO 0.28 0.29 1.21 -0.70 -1.51 0.00 0.00 177.10 176.67 3ig2 s GLU 524 N -0.39 4.49 0.29 -0.60 2.12 -1.26 -2.33 118.70 121.01 3ig2 s GLU 524 Ca 0.04 1.99 0.09 0.00 0.36 0.00 0.00 54.97 57.45 3ig2 s GLU 524 Cb -0.12 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.06 3ig2 s GLU 524 CO 0.02 -0.03 -0.13 0.96 -0.54 0.00 0.00 175.26 175.54 3ig2 s ILE 525 N -0.82 2.09 -0.07 -3.70 -4.36 0.46 -4.89 121.20 109.91 3ig2 s ILE 525 Ca 0.49 -2.25 -0.02 0.00 -0.26 0.00 0.00 60.65 58.60 3ig2 s ILE 525 Cb -0.35 -2.39 0.04 0.00 1.25 0.00 0.00 42.46 41.00 3ig2 s ILE 525 CO 0.44 -0.35 0.06 -0.22 0.24 0.00 0.00 174.94 175.11 3ig2 s LEU 526 N -3.49 0.26 0.15 0.37 1.98 -1.26 -4.47 118.68 112.22 3ig2 s LEU 526 Ca 0.29 -0.08 0.09 0.00 -2.89 0.00 0.00 54.13 51.54 3ig2 s LEU 526 Cb -0.00 -0.21 -0.04 0.00 0.66 0.00 0.00 46.19 46.60 3ig2 s LEU 526 CO 0.13 -0.26 -0.15 0.20 -1.89 0.00 0.00 176.35 174.38 3ig2 s ASN 527 N 2.13 4.01 0.47 3.68 -0.87 -1.26 -5.10 114.94 118.01 3ig2 s ASN 527 Ca 0.04 -0.59 -0.24 0.00 -1.57 0.00 0.00 52.86 50.50 3ig2 s ASN 527 Cb -0.13 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.25 40.43 3ig2 s ASN 527 CO -0.04 0.14 1.38 0.20 -2.57 0.00 0.00 177.10 176.21 3ig2 s ASN 528 N -2.49 5.75 0.31 -1.22 0.01 -1.26 -4.92 114.94 111.12 3ig2 s ASN 528 Ca 0.21 2.83 0.17 0.00 -0.71 0.00 0.00 52.86 55.35 3ig2 s ASN 528 Cb -0.10 -2.65 0.11 0.00 0.41 0.00 0.00 41.25 39.03 3ig2 s ASN 528 CO 0.12 -1.25 1.46 0.28 -1.51 0.00 0.00 177.10 176.21 3ig2 h SER 529 N 2.10 0.00 -3.26 -1.22 0.02 -1.96 -3.44 113.55 105.79 3ig2 h SER 529 Ca -0.51 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.90 3ig2 h SER 529 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3ig2 h SER 529 CO 0.60 0.40 0.51 -0.22 -1.14 0.00 0.00 176.83 176.98 3ig2 s LEU 530 N -6.40 4.35 0.00 5.07 2.96 -1.26 -0.79 118.68 122.60 3ig2 s LEU 530 Ca 0.04 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 3ig2 s LEU 530 Cb 0.07 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.19 3ig2 s LEU 530 CO 0.73 -0.40 0.00 1.07 -1.32 0.00 0.00 176.35 176.43 3ig2 n THR 531 N 4.07 0.00 -3.61 3.68 5.66 0.42 -4.92 114.28 119.57 3ig2 n THR 531 Ca 0.08 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.68 3ig2 n THR 531 Cb 0.48 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.15 3ig2 n THR 531 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3ig2 s ARG 532 N -1.83 3.09 0.46 1.09 3.52 -1.16 -1.52 118.95 122.61 3ig2 s ARG 532 Ca 0.00 -0.90 0.18 0.00 -0.13 0.00 0.00 55.73 54.89 3ig2 s ARG 532 Cb 0.00 -3.68 1.15 0.00 -1.56 0.00 0.00 34.95 30.86 3ig2 s ARG 532 CO 0.00 -0.57 1.96 0.00 -0.81 0.00 0.00 175.30 175.88 3ig2 h ALA 533 N 8.42 2.21 0.00 6.12 0.00 -1.88 -2.03 119.26 132.10 3ig2 h ALA 533 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ig2 h ALA 533 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ig2 h ALA 533 CO 0.65 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3ig2 h ALA 534 N 1.69 1.00 -0.08 0.00 0.00 -1.94 -0.50 119.26 119.42 3ig2 h ALA 534 Ca 0.31 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3ig2 h ALA 534 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ig2 h ALA 534 CO -0.07 0.00 0.06 1.88 0.00 0.00 0.00 179.25 181.12 3ig2 h TYR 535 N 0.00 0.00 -0.01 0.00 0.05 -1.77 -2.57 116.97 112.67 3ig2 h TYR 535 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ig2 h TYR 535 Cb 0.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.13 3ig2 h TYR 535 CO 0.00 0.00 -0.07 0.66 -1.05 0.00 0.00 178.16 177.70 3ig2 n TYR 536 N -4.40 0.00 -1.68 4.88 4.01 -0.20 -4.90 117.16 114.88 3ig2 n TYR 536 Ca -0.01 0.00 -0.50 0.00 -0.16 0.00 0.00 57.90 57.23 3ig2 n TYR 536 Cb 0.17 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.13 3ig2 n TYR 536 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3ig2 n ASP 537 N 0.09 3.02 0.00 7.72 10.43 -0.97 -1.71 116.55 135.13 3ig2 n ASP 537 Ca 0.17 1.03 0.00 0.00 2.57 0.00 0.00 54.79 58.56 3ig2 n ASP 537 Cb 0.38 -1.33 0.00 0.00 1.84 0.00 0.00 41.12 42.01 3ig2 n ASP 537 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ig2 n GLY 538 N 3.96 0.23 3.80 0.44 0.00 -1.26 -4.98 105.19 107.38 3ig2 n GLY 538 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 3.96 -0.14 0.99 1.43 -0.69 -4.97 118.68 119.26 3ig2 s LEU 539 Ca 0.00 1.88 0.13 0.00 -1.03 0.00 0.00 54.13 55.11 3ig2 s LEU 539 Cb 0.00 -4.45 -0.19 0.00 0.03 0.00 0.00 46.19 41.58 3ig2 s LEU 539 CO 0.00 -0.56 0.07 -1.84 0.23 0.00 0.00 176.35 174.24 3ig2 n GLU 540 N -0.61 1.52 -0.01 1.70 -0.00 -1.26 -4.11 120.64 117.87 3ig2 n GLU 540 Ca 0.07 -0.01 -0.18 0.00 -0.00 0.00 0.00 57.16 57.04 3ig2 n GLU 540 Cb 0.52 -1.38 -0.08 0.00 -0.00 0.00 0.00 31.44 30.50 3ig2 n GLU 540 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3ig2 h SER 541 N 0.00 0.91 -2.95 -1.84 4.64 -1.98 -3.36 113.55 108.97 3ig2 h SER 541 Ca -0.38 -0.66 -0.61 0.00 -0.47 0.00 0.00 61.79 59.67 3ig2 h SER 541 Cb 1.85 -0.27 -0.40 0.00 -0.31 0.00 0.00 62.40 63.27 3ig2 h SER 541 CO 0.02 1.43 -0.75 -0.31 -0.87 0.00 0.00 176.83 176.35 3ig2 s TYR 542 N -3.63 2.32 0.51 4.77 2.02 -1.26 -5.12 117.35 116.96 3ig2 s TYR 542 Ca -0.10 -2.76 -0.22 0.00 -0.37 0.00 0.00 57.07 53.61 3ig2 s TYR 542 Cb 0.08 -1.89 -0.06 0.00 -0.40 0.00 0.00 41.96 39.69 3ig2 s TYR 542 CO 0.90 -0.70 1.28 -2.14 -1.57 0.00 0.00 175.55 173.32 3ig2 s PRO 543 N -0.48 3.38 0.39 -1.71 0.02 -1.26 -4.76 135.00 130.58 3ig2 s PRO 543 Ca 0.26 2.05 0.12 0.00 0.02 0.00 0.00 61.00 63.45 3ig2 s PRO 543 Cb -0.07 -2.31 0.93 0.00 0.02 0.00 0.00 34.50 33.07 3ig2 s PRO 543 CO -0.14 -0.94 1.89 1.03 -0.33 0.00 0.00 177.00 178.52 3ig2 h SER 544 N 1.68 0.53 0.76 2.53 0.87 -1.77 -1.43 113.55 116.72 3ig2 h SER 544 Ca -0.50 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3ig2 h SER 544 Cb 1.28 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3ig2 h SER 544 CO 0.58 0.27 0.00 0.07 -0.53 0.00 0.00 176.83 177.22 3ig2 h LYS 545 N 0.56 0.00 -0.64 2.24 2.10 -1.93 -2.38 116.57 116.52 3ig2 h LYS 545 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 3ig2 h LYS 545 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 3ig2 h LYS 545 CO -0.16 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.38 3ig2 n ASN 546 N -2.54 3.64 -4.78 7.07 5.03 -0.54 -4.90 115.26 118.25 3ig2 n ASN 546 Ca 0.01 -2.13 -0.37 0.00 0.87 0.00 0.00 54.58 52.96 3ig2 n ASN 546 Cb 0.24 -0.46 -0.05 0.00 -1.02 0.00 0.00 39.78 38.49 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 -1.22 4.30 0.56 3.41 1.43 -0.90 -0.86 118.68 125.40 3ig2 s LEU 547 Ca 0.43 2.02 -0.04 0.00 -1.03 0.00 0.00 54.13 55.50 3ig2 s LEU 547 Cb 0.24 -4.01 0.01 0.00 0.03 0.00 0.00 46.19 42.46 3ig2 s LEU 547 CO 0.26 -0.27 0.85 -0.69 0.23 0.00 0.00 176.35 176.73 3ig2 s VAL 548 N -1.53 3.69 -0.01 -1.59 1.01 -1.26 -4.54 120.40 116.16 3ig2 s VAL 548 Ca 0.52 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.44 3ig2 s VAL 548 Cb -0.23 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3ig2 s VAL 548 CO 0.29 -0.42 -0.19 -0.76 0.00 0.00 0.00 175.10 174.02 3ig2 s LEU 550 N -4.90 2.05 0.16 3.92 1.02 -0.62 -4.50 118.68 115.81 3ig2 s LEU 550 Ca 0.53 -0.35 -0.14 0.00 0.02 0.00 0.00 54.13 54.19 3ig2 s LEU 550 Cb -0.10 -0.95 0.05 0.00 0.02 0.00 0.00 46.19 45.20 3ig2 s LEU 550 CO 0.43 0.22 1.75 0.25 0.02 0.00 0.00 176.35 179.02 3ig2 h LEU 551 N 5.60 0.69 -6.57 1.79 5.85 -2.02 -3.37 115.31 117.29 3ig2 h LEU 551 Ca -0.38 -0.13 -0.60 0.00 0.84 0.00 0.00 57.88 57.61 3ig2 h LEU 551 Cb 1.15 -0.18 -0.41 0.00 0.37 0.00 0.00 40.66 41.59 3ig2 h LEU 551 CO 0.48 0.62 -0.70 0.59 -0.34 0.00 0.00 178.44 179.09 3ig2 n ASN 552 N -4.58 2.40 -4.74 1.25 5.03 -1.26 -5.10 115.26 108.26 3ig2 n ASN 552 Ca 0.02 -3.10 -0.38 0.00 0.87 0.00 0.00 54.58 52.00 3ig2 n ASN 552 Cb 0.12 -0.69 0.05 0.00 -1.02 0.00 0.00 39.78 38.24 3ig2 n ASN 552 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3ig2 s PRO 553 N -1.53 2.93 0.09 3.52 0.04 -1.26 -4.95 135.00 133.85 3ig2 s PRO 553 Ca 0.32 2.12 -0.05 0.00 0.04 0.00 0.00 61.00 63.42 3ig2 s PRO 553 Cb 0.06 -2.08 -0.21 0.00 0.04 0.00 0.00 34.50 32.30 3ig2 s PRO 553 CO -0.12 -1.32 1.19 -0.07 0.04 0.00 0.00 177.00 176.73 3ig2 h LEU 554 N 1.10 0.51 -7.81 -3.56 3.38 -1.64 -3.49 115.31 103.79 3ig2 h LEU 554 Ca -0.51 -0.49 0.17 0.00 0.09 0.00 0.00 57.88 57.14 3ig2 h LEU 554 Cb 1.31 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 3ig2 h LEU 554 CO 0.56 1.34 0.54 -0.94 0.09 0.00 0.00 178.44 180.03 3ig2 s SER 555 N -7.16 -0.07 0.62 -0.43 1.04 -1.21 -4.96 113.70 101.53 3ig2 s SER 555 Ca -0.05 -0.57 0.32 0.00 0.48 0.00 0.00 55.95 56.14 3ig2 s SER 555 Cb 0.07 0.50 1.83 0.00 0.10 0.00 0.00 66.02 68.52 3ig2 s SER 555 CO 0.88 -0.96 2.14 0.00 0.98 0.00 0.00 173.24 176.28 3ig2 h ALA 556 N 2.00 1.54 -0.01 5.32 0.00 -1.98 -1.09 119.26 125.03 3ig2 h ALA 556 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ig2 h ALA 556 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ig2 h ALA 556 CO 0.32 -0.22 -0.19 -0.25 0.00 0.00 0.00 179.25 178.91 3ig2 n ASP 557 N -3.49 1.66 -3.12 0.00 8.00 -1.26 -4.29 116.55 114.04 3ig2 n ASP 557 Ca -0.00 -1.35 -0.21 0.00 0.71 0.00 0.00 54.79 53.94 3ig2 n ASP 557 Cb 0.27 0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 3ig2 n ASP 557 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ig2 n LEU 558 N 0.01 -0.61 0.00 0.64 4.77 -0.41 -2.98 117.00 118.41 3ig2 n LEU 558 Ca 0.14 -4.33 0.00 0.00 -0.03 0.00 0.00 56.01 51.78 3ig2 n LEU 558 Cb 0.41 0.67 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 3ig2 n LEU 558 CO 0.22 2.03 0.15 -0.46 -1.33 0.00 0.00 177.39 177.99 3ig2 n ASN 559 N 1.70 0.37 0.00 -1.43 2.04 -0.58 -1.47 115.26 115.89 3ig2 n ASN 559 Ca 0.20 -1.09 0.00 0.00 -0.44 0.00 0.00 54.58 53.25 3ig2 n ASN 559 Cb 0.54 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.79 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 4.23 2.59 -0.07 0.00 1.70 0.03 -0.44 118.95 126.99 3ig2 s ARG 562 Ca 0.00 -0.68 0.18 0.00 -0.47 0.00 0.00 55.73 54.76 3ig2 s ARG 562 Cb 0.00 -2.51 -0.23 0.00 -0.57 0.00 0.00 34.95 31.64 3ig2 s ARG 562 CO 0.00 0.62 0.44 0.94 -1.08 0.00 0.00 175.30 176.21 3ig2 n GLN 563 N 1.76 0.66 -4.06 3.89 7.27 -1.26 -0.66 117.38 124.98 3ig2 n GLN 563 Ca -0.16 0.03 -0.12 0.00 0.07 0.00 0.00 57.00 56.82 3ig2 n GLN 563 Cb 0.53 -1.62 -0.11 0.00 2.41 0.00 0.00 30.24 31.44 3ig2 n GLN 563 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 3ig2 s THR 564 N -2.88 0.49 0.12 1.69 -1.32 -1.26 -4.54 115.64 107.94 3ig2 s THR 564 Ca -0.07 -1.14 0.30 0.00 -1.21 0.00 0.00 61.69 59.57 3ig2 s THR 564 Cb 0.09 -0.66 0.33 0.00 -1.51 0.00 0.00 72.50 70.75 3ig2 s THR 564 CO 0.84 -0.45 1.93 -0.07 -2.21 0.00 0.00 174.62 174.67 3ig2 h LEU 565 N 4.37 0.00 -0.39 9.08 3.38 -1.93 -3.39 115.31 126.43 3ig2 h LEU 565 Ca -0.35 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.70 3ig2 h LEU 565 Cb 1.20 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 3ig2 h LEU 565 CO 0.43 0.08 -0.32 0.25 0.09 0.00 0.00 178.44 178.98 3ig2 h LEU 566 N 0.00 -1.05 -0.83 1.67 5.85 -1.97 -2.91 115.31 116.07 3ig2 h LEU 566 Ca -0.00 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3ig2 h LEU 566 Cb 0.59 0.50 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3ig2 h LEU 566 CO 0.01 -0.32 0.29 -0.26 -0.34 0.00 0.00 178.44 177.83 3ig2 h PHE 567 N -0.25 1.19 -0.91 1.25 0.04 -2.00 -1.50 116.94 114.76 3ig2 h PHE 567 Ca 0.17 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.89 3ig2 h PHE 567 Cb 0.53 -0.35 -0.06 0.00 2.20 0.00 0.00 35.95 38.27 3ig2 h PHE 567 CO -0.53 0.90 0.58 0.78 -0.60 0.00 0.00 178.31 179.45 3ig2 h GLY 568 N 1.14 1.34 1.41 -1.45 0.00 -1.81 -0.52 103.07 103.19 3ig2 h GLY 568 Ca 0.26 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3ig2 h GLY 568 CO -0.02 0.36 0.08 -1.33 0.00 0.00 0.00 176.54 175.63 3ig2 h GLY 569 N 1.12 0.79 1.20 4.60 0.00 -1.23 -1.00 103.07 108.54 3ig2 h GLY 569 Ca 0.37 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 3ig2 h GLY 569 CO -0.13 0.43 -0.28 1.41 0.00 0.00 0.00 176.54 177.97 3ig2 h LEU 570 N 0.70 0.94 -0.52 3.11 3.38 -0.57 -0.61 115.31 121.74 3ig2 h LEU 570 Ca 0.15 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.78 3ig2 h LEU 570 Cb 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3ig2 h LEU 570 CO 0.00 1.15 0.28 -0.33 0.09 0.00 0.00 178.44 179.64 3ig2 h GLU 571 N 0.76 0.54 -0.73 1.13 5.08 -0.88 -1.62 114.58 118.87 3ig2 h GLU 571 Ca 0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3ig2 h GLU 571 Cb 0.85 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3ig2 h GLU 571 CO 0.07 0.36 0.38 0.77 -1.00 0.00 0.00 179.01 179.59 3ig2 h SER 572 N 0.55 0.92 -0.22 1.42 0.02 -0.88 -0.33 113.55 115.03 3ig2 h SER 572 Ca 0.22 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3ig2 h SER 572 Cb 0.10 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3ig2 h SER 572 CO -0.14 0.76 0.09 0.40 -1.14 0.00 0.00 176.83 176.81 3ig2 h ILE 573 N 1.00 1.17 -0.48 3.27 2.04 -0.94 -1.19 117.51 122.38 3ig2 h ILE 573 Ca 0.25 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.70 3ig2 h ILE 573 Cb 0.06 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 3ig2 h ILE 573 CO -0.04 0.17 -0.03 0.00 0.00 0.00 0.00 178.15 178.25 3ig2 h ALA 574 N 0.93 0.42 0.00 1.87 0.00 -1.00 -2.11 119.26 119.37 3ig2 h ALA 574 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ig2 h ALA 574 Cb 0.18 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ig2 h ALA 574 CO -0.01 -0.40 0.00 -2.39 0.00 0.00 0.00 179.25 176.45 3ig2 n HIS 575 N -5.26 0.68 -1.11 0.00 1.44 -0.16 -3.45 115.22 107.36 3ig2 n HIS 575 Ca 0.05 0.24 -0.06 0.00 -2.01 0.00 0.00 57.72 55.95 3ig2 n HIS 575 Cb 0.26 -0.89 0.28 0.00 0.12 0.00 0.00 29.99 29.76 3ig2 n HIS 575 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3ig2 n ASN 576 N -2.09 4.37 -4.76 4.39 4.13 -0.47 -5.00 115.26 115.83 3ig2 n ASN 576 Ca 0.03 -3.30 -0.40 0.00 1.68 0.00 0.00 54.58 52.59 3ig2 n ASN 576 Cb 0.28 -0.72 0.02 0.00 -1.54 0.00 0.00 39.78 37.82 3ig2 n ASN 576 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ig2 n ALA 577 N -0.40 2.02 -2.37 5.41 0.00 -1.20 -5.00 120.51 118.97 3ig2 n ALA 577 Ca 0.39 0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.97 3ig2 n ALA 577 Cb 1.32 -2.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 3ig2 n ALA 577 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ig2 s ASN 578 N -0.44 0.23 -0.00 0.00 4.22 -1.26 -5.05 114.94 112.64 3ig2 s ASN 578 Ca 0.60 -1.35 0.15 0.00 -2.14 0.00 0.00 52.86 50.13 3ig2 s ASN 578 Cb -0.46 0.43 -0.18 0.00 1.28 0.00 0.00 41.25 42.32 3ig2 s ASN 578 CO 0.58 -0.91 0.58 0.54 -2.04 0.00 0.00 177.10 175.85 3ig2 n ARG 579 N -0.32 1.62 -0.59 3.55 1.74 -1.26 -4.98 116.66 116.43 3ig2 n ARG 579 Ca 0.02 -0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 3ig2 n ARG 579 Cb 0.65 -1.26 0.21 0.00 -1.02 0.00 0.00 32.46 31.05 3ig2 n ARG 579 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ig2 n LYS 580 N -1.51 -1.96 -1.41 5.56 4.76 -1.26 -4.96 118.16 117.37 3ig2 n LYS 580 Ca 0.02 -0.55 -0.28 0.00 -2.87 0.00 0.00 58.31 54.63 3ig2 n LYS 580 Cb 0.28 -1.92 0.09 0.00 -1.84 0.00 0.00 35.03 31.64 3ig2 n LYS 580 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ig2 n ASN 581 N -3.19 5.97 -4.55 4.39 3.02 -1.26 -5.00 115.26 114.64 3ig2 n ASN 581 Ca 0.02 -3.76 -0.33 0.00 -0.03 0.00 0.00 54.58 50.48 3ig2 n ASN 581 Cb 0.58 -0.78 -0.12 0.00 -0.61 0.00 0.00 39.78 38.85 3ig2 n ASN 581 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ig2 s ALA 582 N -3.64 2.88 0.40 5.41 0.00 -1.26 -5.10 121.76 120.44 3ig2 s ALA 582 Ca 0.59 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 51.32 3ig2 s ALA 582 Cb 0.47 -1.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.40 3ig2 s ALA 582 CO 0.02 0.58 1.24 -0.51 0.00 0.00 0.00 175.76 177.09 3ig2 s ASP 583 N -0.96 6.45 -0.01 0.00 1.01 -1.26 -5.02 116.67 116.87 3ig2 s ASP 583 Ca 0.13 2.52 -0.21 0.00 0.71 0.00 0.00 52.55 55.70 3ig2 s ASP 583 Cb -0.11 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 3ig2 s ASP 583 CO 0.03 -0.74 0.60 -0.76 0.21 0.00 0.00 175.17 174.50 3ig2 s LEU 584 N -2.39 4.41 -0.20 1.23 1.43 -1.26 -4.93 118.68 116.97 3ig2 s LEU 584 Ca 0.56 1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 54.80 3ig2 s LEU 584 Cb -0.35 -2.93 0.05 0.00 0.03 0.00 0.00 46.19 43.00 3ig2 s LEU 584 CO 0.45 0.08 -0.02 -0.54 0.23 0.00 0.00 176.35 176.55 3ig2 s LYS 585 N -0.10 1.20 0.14 1.70 1.02 -1.26 -1.10 119.74 121.34 3ig2 s LYS 585 Ca 0.31 -0.63 0.10 0.00 0.02 0.00 0.00 55.97 55.78 3ig2 s LYS 585 Cb -0.18 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 3ig2 s LYS 585 CO 0.17 -0.56 -0.25 -0.06 -0.92 0.00 0.00 175.35 173.73 3ig2 s PHE 586 N 1.64 2.19 0.03 3.18 0.08 -0.24 -0.85 117.98 124.01 3ig2 s PHE 586 Ca -0.02 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 3ig2 s PHE 586 Cb -0.17 -1.16 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 3ig2 s PHE 586 CO -0.07 0.35 -0.02 -0.59 -0.10 0.00 0.00 175.22 174.79 3ig2 s PHE 587 N -1.27 0.35 -0.10 0.36 -0.12 -0.99 -1.14 117.98 115.07 3ig2 s PHE 587 Ca 0.14 -0.73 -0.05 0.00 -0.05 0.00 0.00 56.93 56.24 3ig2 s PHE 587 Cb -0.09 -0.26 0.04 0.00 -0.63 0.00 0.00 43.02 42.08 3ig2 s PHE 587 CO 0.07 -0.27 0.24 -2.00 -0.05 0.00 0.00 175.22 173.20 3ig2 s GLU 588 N -2.45 0.21 -0.13 1.99 2.12 -0.30 -0.41 118.70 119.74 3ig2 s GLU 588 Ca -0.07 0.49 -0.14 0.00 0.36 0.00 0.00 54.97 55.61 3ig2 s GLU 588 Cb -0.03 -0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 3ig2 s GLU 588 CO -0.05 -0.14 0.31 -0.06 -0.54 0.00 0.00 175.26 174.78 3ig2 s PHE 589 N 1.09 3.52 -0.07 5.30 0.08 -1.26 -0.38 117.98 126.26 3ig2 s PHE 589 Ca -0.08 0.68 -0.30 0.00 0.12 0.00 0.00 56.93 57.35 3ig2 s PHE 589 Cb -0.09 -2.31 0.11 0.00 -0.57 0.00 0.00 43.02 40.16 3ig2 s PHE 589 CO -0.07 0.35 0.98 0.20 -0.10 0.00 0.00 175.22 176.57 3ig2 s GLY 590 N 0.08 -0.39 0.33 4.36 0.00 -0.42 -5.00 107.32 106.28 3ig2 s GLY 590 Ca 0.18 1.33 -0.26 0.00 0.00 0.00 0.00 44.72 45.97 3ig2 s GLY 590 CO 0.06 0.51 0.95 -1.31 0.00 0.00 0.00 173.10 173.31 3ig2 s ASN 591 N -2.16 7.31 0.35 1.64 0.02 -1.26 -0.28 114.94 120.54 3ig2 s ASN 591 Ca 0.05 1.86 0.09 0.00 -1.02 0.00 0.00 52.86 53.83 3ig2 s ASN 591 Cb -0.01 -2.58 -0.06 0.00 0.02 0.00 0.00 41.25 38.62 3ig2 s ASN 591 CO -0.06 -0.09 -0.05 0.00 0.02 0.00 0.00 177.10 176.92 3ig2 s TYR 593 N -2.58 0.80 -0.03 0.00 2.02 0.16 -1.54 117.35 116.19 3ig2 s TYR 593 Ca 0.34 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 3ig2 s TYR 593 Cb 0.02 -0.48 0.01 0.00 -0.40 0.00 0.00 41.96 41.11 3ig2 s TYR 593 CO 0.18 -0.03 0.06 -1.58 -1.57 0.00 0.00 175.55 172.61 3ig2 s HIS 594 N -1.08 -0.07 -0.21 2.71 5.65 -0.33 -4.08 115.29 117.89 3ig2 s HIS 594 Ca -0.05 0.18 -0.04 0.00 0.25 0.00 0.00 55.06 55.41 3ig2 s HIS 594 Cb -0.08 -0.00 -0.01 0.00 -1.18 0.00 0.00 32.58 31.30 3ig2 s HIS 594 CO 0.01 -0.05 -0.05 0.12 -0.65 0.00 0.00 174.74 174.12 3ig2 s PHE 595 N 0.19 2.95 0.08 3.88 5.36 -0.04 -1.12 117.98 129.28 3ig2 s PHE 595 Ca -0.01 -0.82 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 3ig2 s PHE 595 Cb -0.02 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.59 3ig2 s PHE 595 CO -0.01 -0.45 0.00 -3.47 -1.46 0.00 0.00 175.22 169.83 3ig2 n ASP 596 N 4.54 0.19 0.00 6.13 2.03 0.67 -4.48 116.55 125.63 3ig2 n ASP 596 Ca -0.18 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.25 3ig2 n ASP 596 Cb 0.51 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 3ig2 n ASP 596 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3ig2 n LEU 606 N -2.89 0.00 -3.38 -2.67 4.77 -1.26 -4.95 117.00 106.62 3ig2 n LEU 606 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 3ig2 n LEU 606 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3ig2 n LEU 606 CO 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 177.39 175.81 3ig2 n ALA 607 N 0.00 2.86 0.43 -1.18 0.00 -1.26 -4.99 120.51 116.37 3ig2 n ALA 607 Ca 0.00 -3.47 0.13 0.00 0.00 0.00 0.00 53.44 50.10 3ig2 n ALA 607 Cb 0.00 -0.81 0.43 0.00 0.00 0.00 0.00 19.45 19.07 3ig2 n ALA 607 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ig2 h PRO 608 N 4.94 0.00 -5.10 0.00 0.13 -1.94 -3.43 132.00 126.60 3ig2 h PRO 608 Ca 0.18 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.69 3ig2 h PRO 608 Cb 0.87 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.85 3ig2 h PRO 608 CO 0.47 0.00 -0.51 0.71 -0.23 0.00 0.00 178.00 178.44 3ig2 s TYR 609 N -3.27 3.31 0.22 1.56 2.02 -1.26 -0.24 117.35 119.68 3ig2 s TYR 609 Ca 0.07 0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.99 3ig2 s TYR 609 Cb 0.10 -2.25 -0.05 0.00 -0.40 0.00 0.00 41.96 39.35 3ig2 s TYR 609 CO 0.55 0.06 0.02 -1.54 -1.57 0.00 0.00 175.55 173.07 3ig2 s SER 610 N 1.01 1.50 0.05 2.29 1.04 -0.28 -4.99 113.70 114.32 3ig2 s SER 610 Ca 0.07 -1.24 0.02 0.00 0.48 0.00 0.00 55.95 55.29 3ig2 s SER 610 Cb -0.13 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 3ig2 s SER 610 CO 0.04 -0.58 -0.08 -1.83 0.98 0.00 0.00 173.24 171.77 3ig2 s GLU 611 N -3.92 0.58 0.12 4.02 -1.05 -1.26 -1.18 118.70 116.02 3ig2 s GLU 611 Ca 0.29 -0.83 -0.06 0.00 -0.15 0.00 0.00 54.97 54.22 3ig2 s GLU 611 Cb 0.06 -0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.40 3ig2 s GLU 611 CO 0.08 0.06 0.16 -0.51 0.95 0.00 0.00 175.26 176.00 3ig2 s ASP 612 N -1.74 0.19 -0.11 0.83 1.01 -0.59 -4.99 116.67 111.27 3ig2 s ASP 612 Ca -0.07 -0.92 -0.00 0.00 0.71 0.00 0.00 52.55 52.27 3ig2 s ASP 612 Cb -0.09 0.35 -0.02 0.00 1.01 0.00 0.00 42.92 44.17 3ig2 s ASP 612 CO 0.00 -0.77 -0.10 -0.47 0.21 0.00 0.00 175.17 174.04 3ig2 s TYR 613 N -3.96 2.87 0.13 4.23 5.04 -1.26 -0.70 117.35 123.71 3ig2 s TYR 613 Ca 0.15 -0.32 0.07 0.00 -2.44 0.00 0.00 57.07 54.52 3ig2 s TYR 613 Cb 0.05 -1.80 -0.04 0.00 0.35 0.00 0.00 41.96 40.53 3ig2 s TYR 613 CO -0.04 0.03 -0.15 -1.01 -1.34 0.00 0.00 175.55 173.04 3ig2 s HIS 614 N -0.11 1.51 -0.22 4.97 3.76 0.61 -2.71 115.29 123.11 3ig2 s HIS 614 Ca -0.00 -0.53 -0.03 0.00 -0.15 0.00 0.00 55.06 54.35 3ig2 s HIS 614 Cb -0.13 -0.78 -0.00 0.00 1.11 0.00 0.00 32.58 32.77 3ig2 s HIS 614 CO 0.03 0.19 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.88 3ig2 s LEU 615 N -2.47 2.81 -0.00 0.89 2.96 -0.49 -1.31 118.68 121.06 3ig2 s LEU 615 Ca 0.10 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 3ig2 s LEU 615 Cb -0.05 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3ig2 s LEU 615 CO 0.04 -0.02 0.05 -0.83 -1.32 0.00 0.00 176.35 174.27 3ig2 s GLY 616 N 1.46 1.97 -0.02 7.98 0.00 0.49 -0.81 107.32 118.38 3ig2 s GLY 616 Ca 0.06 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 43.93 3ig2 s GLY 616 CO -0.04 -0.77 -0.17 1.08 0.00 0.00 0.00 173.10 173.20 3ig2 s LEU 617 N -1.67 1.99 -0.07 0.66 1.43 -0.35 -1.15 118.68 119.52 3ig2 s LEU 617 Ca 0.22 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3ig2 s LEU 617 Cb -0.12 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.20 3ig2 s LEU 617 CO 0.12 0.19 -0.11 0.26 0.23 0.00 0.00 176.35 177.04 3ig2 s TRP 618 N -0.24 1.43 -0.09 0.29 0.51 -0.30 -0.44 118.94 120.11 3ig2 s TRP 618 Ca 0.03 -0.54 0.01 0.00 -2.12 0.00 0.00 56.10 53.47 3ig2 s TRP 618 Cb -0.08 -1.07 0.02 0.00 -0.81 0.00 0.00 33.47 31.53 3ig2 s TRP 618 CO 0.00 -0.30 -0.09 0.08 -0.51 0.00 0.00 176.95 176.14 3ig2 s VAL 619 N 0.78 1.01 0.43 4.03 1.01 0.93 -1.08 120.40 127.50 3ig2 s VAL 619 Ca -0.13 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 3ig2 s VAL 619 Cb -0.15 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 3ig2 s VAL 619 CO 0.02 0.35 0.78 0.42 0.00 0.00 0.00 175.10 176.67 3ig2 s THR 620 N 1.20 4.80 0.00 3.92 -4.23 -0.26 -0.58 115.64 120.49 3ig2 s THR 620 Ca -0.05 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3ig2 s THR 620 Cb -0.14 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.94 3ig2 s THR 620 CO -0.02 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 3ig2 n GLY 621 N -1.52 5.41 0.00 3.99 0.00 0.97 -4.58 105.19 109.46 3ig2 n GLY 621 Ca 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3ig2 n GLY 621 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ig2 n LYS 622 N 0.00 0.00 -4.09 1.61 2.85 -1.26 -4.36 118.16 112.91 3ig2 n LYS 622 Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 3ig2 n LYS 622 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 3ig2 n LYS 622 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3ig2 s VAL 624 N 0.00 4.57 0.28 0.58 1.01 -0.60 -0.78 120.40 125.46 3ig2 s VAL 624 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 3ig2 s VAL 624 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3ig2 s VAL 624 CO 0.00 0.46 0.53 -0.94 0.00 0.00 0.00 175.10 175.16 3ig2 s SER 625 N 0.40 0.04 -0.25 3.32 1.04 -1.26 -5.02 113.70 111.98 3ig2 s SER 625 Ca 0.01 -1.00 0.13 0.00 0.48 0.00 0.00 55.95 55.58 3ig2 s SER 625 Cb -0.13 0.64 0.63 0.00 0.10 0.00 0.00 66.02 67.26 3ig2 s SER 625 CO 0.01 -1.24 1.60 -0.46 0.98 0.00 0.00 173.24 174.13 3ig2 n ASN 626 N -0.63 4.18 -4.87 7.02 0.23 -1.26 -5.02 115.26 114.90 3ig2 n ASN 626 Ca -0.02 -3.21 -0.30 0.00 -0.53 0.00 0.00 54.58 50.52 3ig2 n ASN 626 Cb 0.61 -0.65 -0.01 0.00 -2.08 0.00 0.00 39.78 37.65 3ig2 n ASN 626 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3ig2 s SER 627 N -1.61 6.41 0.38 0.53 0.15 -1.26 -5.02 113.70 113.27 3ig2 s SER 627 Ca 0.48 1.26 -0.27 0.00 0.70 0.00 0.00 55.95 58.12 3ig2 s SER 627 Cb 0.40 -2.39 -0.10 0.00 -1.71 0.00 0.00 66.02 62.22 3ig2 s SER 627 CO 0.10 -0.61 1.37 0.86 1.20 0.00 0.00 173.24 176.16 3ig2 s TRP 628 N -2.73 2.80 0.00 3.44 -0.11 -1.26 -5.21 118.94 115.86 3ig2 s TRP 628 Ca 0.53 1.33 0.00 0.00 1.22 0.00 0.00 56.10 59.18 3ig2 s TRP 628 Cb -0.10 -3.80 0.00 0.00 -1.50 0.00 0.00 33.47 28.07 3ig2 s TRP 628 CO 0.40 -2.34 0.00 0.00 -4.62 0.00 0.00 176.95 170.39 3ig2 n ALA 629 N 0.41 -1.68 0.00 5.86 0.00 -1.26 -5.23 120.51 118.62 3ig2 n ALA 629 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3ig2 n ALA 629 Cb 0.42 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3ig2 n ALA 629 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ig2 n GLU 633 N -0.70 0.65 0.01 0.00 1.02 -1.26 -5.16 120.64 115.20 3ig2 n GLU 633 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3ig2 n GLU 633 Cb 0.00 -0.12 -0.05 0.00 -0.02 0.00 0.00 31.44 31.25 3ig2 n GLU 633 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3ig2 h ASN 634 N 0.00 -0.10 0.50 1.62 2.35 -2.00 -2.19 115.58 115.75 3ig2 h ASN 634 Ca 0.00 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 3ig2 h ASN 634 Cb 0.00 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3ig2 h ASN 634 CO 0.00 -0.04 -0.27 0.00 -1.65 0.00 0.00 177.43 175.47 3ig2 h THR 635 N -0.02 0.89 -0.38 2.81 1.03 -2.02 -2.76 112.91 112.46 3ig2 h THR 635 Ca 0.04 -1.05 -0.12 0.00 -0.01 0.00 0.00 66.41 65.28 3ig2 h THR 635 Cb 0.08 1.62 -0.01 0.00 -1.07 0.00 0.00 68.15 68.77 3ig2 h THR 635 CO -0.09 0.27 -0.23 0.28 -0.01 0.00 0.00 175.52 175.74 3ig2 h SER 636 N 0.00 0.86 0.02 0.00 0.02 -1.94 -2.60 113.55 109.91 3ig2 h SER 636 Ca -0.00 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.47 3ig2 h SER 636 Cb 0.60 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3ig2 h SER 636 CO 0.04 1.09 -0.15 0.58 -1.14 0.00 0.00 176.83 177.25 3ig2 h VAL 637 N 0.63 1.19 -0.23 2.27 2.07 -1.19 -2.66 116.25 118.33 3ig2 h VAL 637 Ca 0.08 -0.87 -0.14 0.00 0.82 0.00 0.00 66.70 66.59 3ig2 h VAL 637 Cb 0.79 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3ig2 h VAL 637 CO 0.06 0.27 -0.45 1.88 0.02 0.00 0.00 177.57 179.35 3ig2 h TYR 638 N 0.25 0.70 -0.22 1.57 0.05 -1.40 0.29 116.97 118.21 3ig2 h TYR 638 Ca 0.05 -0.22 -0.17 0.00 0.05 0.00 0.00 58.73 58.45 3ig2 h TYR 638 Cb 0.42 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.02 3ig2 h TYR 638 CO 0.01 0.92 -0.51 1.49 -1.05 0.00 0.00 178.16 179.02 3ig2 h GLU 639 N 0.47 0.73 -0.12 4.88 4.57 -1.29 -3.24 114.58 120.57 3ig2 h GLU 639 Ca 0.03 -0.50 -0.17 0.00 -1.18 0.00 0.00 59.36 57.55 3ig2 h GLU 639 Cb 0.97 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 3ig2 h GLU 639 CO 0.09 1.12 -0.64 1.25 -1.18 0.00 0.00 179.01 179.65 3ig2 h LEU 640 N 0.45 0.49 -0.96 1.64 5.85 -1.49 -3.06 115.31 118.23 3ig2 h LEU 640 Ca -0.00 -0.29 0.20 0.00 0.84 0.00 0.00 57.88 58.62 3ig2 h LEU 640 Cb 1.13 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.90 3ig2 h LEU 640 CO 0.11 1.00 0.55 0.50 -0.34 0.00 0.00 178.44 180.26 3ig2 h LYS 641 N 0.31 0.64 -0.43 1.25 3.64 -1.01 -2.08 116.57 118.89 3ig2 h LYS 641 Ca -0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3ig2 h LYS 641 Cb 1.18 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 3ig2 h LYS 641 CO 0.11 0.42 0.23 0.00 -2.27 0.00 0.00 179.45 177.95 3ig2 h ALA 642 N 1.66 0.55 -0.76 5.00 0.00 -1.56 0.29 119.26 124.44 3ig2 h ALA 642 Ca 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 3ig2 h ALA 642 Cb 0.94 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3ig2 h ALA 642 CO -0.42 0.08 0.35 1.88 0.00 0.00 0.00 179.25 181.14 3ig2 h TYR 643 N 0.56 1.12 -0.52 0.00 0.05 -1.51 -1.59 116.97 115.08 3ig2 h TYR 643 Ca 0.15 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.80 3ig2 h TYR 643 Cb 0.07 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 3ig2 h TYR 643 CO -0.02 0.83 0.07 0.28 -1.05 0.00 0.00 178.16 178.27 3ig2 h VAL 644 N 1.08 1.25 -0.77 -2.88 2.07 -1.09 -1.89 116.25 114.02 3ig2 h VAL 644 Ca 0.26 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3ig2 h VAL 644 Cb 0.15 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3ig2 h VAL 644 CO -0.03 0.35 0.35 -0.08 0.02 0.00 0.00 177.57 178.18 3ig2 h GLU 645 N 0.75 1.13 0.00 1.57 4.81 -0.24 -0.63 114.58 121.98 3ig2 h GLU 645 Ca 0.16 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 3ig2 h GLU 645 Cb 0.43 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3ig2 h GLU 645 CO 0.01 0.89 -0.69 -0.91 -0.73 0.00 0.00 179.01 177.59 3ig2 h ASN 646 N 1.10 0.00 -0.06 1.04 2.35 -1.17 -0.39 115.58 118.45 3ig2 h ASN 646 Ca 0.26 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3ig2 h ASN 646 Cb 0.15 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 3ig2 h ASN 646 CO -0.03 0.69 0.02 0.40 -1.65 0.00 0.00 177.43 176.86 3ig2 h ILE 647 N 0.00 1.18 -0.54 2.81 2.04 -0.97 -1.31 117.51 120.71 3ig2 h ILE 647 Ca -0.01 -0.53 0.07 0.00 1.00 0.00 0.00 64.86 65.39 3ig2 h ILE 647 Cb 1.23 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.68 3ig2 h ILE 647 CO 0.09 0.15 0.22 -0.26 0.00 0.00 0.00 178.15 178.34 3ig2 h PHE 648 N -0.11 0.39 -0.94 1.37 0.04 -0.66 -1.15 116.94 115.87 3ig2 h PHE 648 Ca 0.02 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.84 3ig2 h PHE 648 Cb 0.22 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 3ig2 h PHE 648 CO -0.00 0.13 0.61 0.87 -0.60 0.00 0.00 178.31 179.33 3ig2 h LYS 649 N 0.41 1.17 -0.22 1.51 1.57 -1.02 -1.21 116.57 118.78 3ig2 h LYS 649 Ca 0.26 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3ig2 h LYS 649 Cb 0.27 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3ig2 h LYS 649 CO -0.25 0.77 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.31 3ig2 h ARG 650 N 1.21 0.33 -0.03 3.15 9.65 -0.34 -0.22 114.38 128.12 3ig2 h ARG 650 Ca 0.37 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 3ig2 h ARG 650 Cb -0.03 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 3ig2 h ARG 650 CO -0.11 0.37 0.00 1.28 2.80 0.00 0.00 179.97 184.31 3ig2 n LEU 651 N -4.34 0.83 -0.77 3.80 4.77 -0.52 -4.90 117.00 115.87 3ig2 n LEU 651 Ca 0.00 -0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 55.58 3ig2 n LEU 651 Cb 0.20 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3ig2 n LEU 651 CO 0.37 0.15 -0.10 0.61 -1.33 0.00 0.00 177.39 177.10 3ig2 n GLY 652 N 1.06 1.15 3.75 -0.72 0.00 -0.09 -4.98 105.19 105.35 3ig2 n GLY 652 Ca 0.19 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3ig2 n GLY 652 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ig2 s LEU 653 N -2.29 4.50 -0.56 0.99 1.43 -0.55 -4.98 118.68 117.23 3ig2 s LEU 653 Ca 0.00 2.31 -0.23 0.00 -1.03 0.00 0.00 54.13 55.18 3ig2 s LEU 653 Cb 0.00 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.65 3ig2 s LEU 653 CO 0.00 -0.26 0.89 -0.62 0.23 0.00 0.00 176.35 176.59 3ig2 s ASP 654 N -0.50 6.29 0.36 2.29 2.15 -1.26 -4.54 116.67 121.45 3ig2 s ASP 654 Ca 0.48 -0.56 0.08 0.00 0.43 0.00 0.00 52.55 52.98 3ig2 s ASP 654 Cb -0.33 -2.41 0.81 0.00 -0.30 0.00 0.00 42.92 40.69 3ig2 s ASP 654 CO 0.41 -1.21 1.89 -0.07 -0.17 0.00 0.00 175.17 176.03 3ig2 h LEU 655 N 10.82 0.65 0.00 -1.34 4.07 -1.95 -1.43 115.31 126.12 3ig2 h LEU 655 Ca -0.27 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.72 3ig2 h LEU 655 Cb 1.08 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.72 3ig2 h LEU 655 CO 1.08 0.35 0.00 1.41 -1.08 0.00 0.00 178.44 180.21 3ig2 n HIS 656 N -4.53 0.00 1.17 1.13 8.25 -1.26 -1.84 115.22 118.13 3ig2 n HIS 656 Ca 0.16 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.76 3ig2 n HIS 656 Cb 0.41 -0.49 0.64 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.49 0.08 -4.90 0.41 3.41 -0.54 -4.92 113.62 105.66 3ig2 n SER 657 Ca 0.06 0.15 -0.31 0.00 -0.26 0.00 0.00 58.87 58.51 3ig2 n SER 657 Cb 0.27 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.82 4.27 -0.16 1.04 1.43 -0.77 -4.12 118.68 117.55 3ig2 s LEU 658 Ca 0.20 0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3ig2 s LEU 658 Cb 0.19 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 3ig2 s LEU 658 CO 0.52 0.05 -0.13 -0.69 0.23 0.00 0.00 176.35 176.32 3ig2 s VAL 659 N -1.68 2.86 -0.19 -1.59 1.01 -0.30 -4.96 120.40 115.54 3ig2 s VAL 659 Ca 0.40 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 3ig2 s VAL 659 Cb -0.12 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3ig2 s VAL 659 CO 0.26 0.50 -0.07 -0.69 0.00 0.00 0.00 175.10 175.10 3ig2 s VAL 660 N 0.82 3.27 0.28 2.92 1.01 -1.26 -0.85 120.40 126.59 3ig2 s VAL 660 Ca -0.04 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.49 3ig2 s VAL 660 Cb -0.15 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 3ig2 s VAL 660 CO 0.00 0.46 -0.04 -0.83 0.00 0.00 0.00 175.10 174.69 3ig2 s GLY 661 N 1.09 1.77 0.23 4.51 0.00 -0.15 -4.92 107.32 109.85 3ig2 s GLY 661 Ca 0.01 -1.75 -0.06 0.00 0.00 0.00 0.00 44.72 42.92 3ig2 s GLY 661 CO -0.01 -1.80 0.50 -1.31 0.00 0.00 0.00 173.10 170.48 3ig2 s ASN 662 N -3.65 6.52 -0.12 1.64 0.01 -1.26 -0.83 114.94 117.25 3ig2 s ASN 662 Ca 0.32 0.74 -0.13 0.00 -0.71 0.00 0.00 52.86 53.08 3ig2 s ASN 662 Cb -0.05 -2.15 0.03 0.00 0.41 0.00 0.00 41.25 39.49 3ig2 s ASN 662 CO 0.19 -0.09 0.37 -0.22 -1.51 0.00 0.00 177.10 175.84 3ig2 s LEU 663 N -3.06 0.60 -0.13 0.60 0.20 -0.36 -4.81 118.68 111.72 3ig2 s LEU 663 Ca 0.44 0.65 -0.06 0.00 0.69 0.00 0.00 54.13 55.86 3ig2 s LEU 663 Cb -0.11 1.30 0.06 0.00 -0.43 0.00 0.00 46.19 47.00 3ig2 s LEU 663 CO 0.25 -0.18 0.28 -0.55 -0.29 0.00 0.00 176.35 175.86 3ig2 s SER 664 N -0.05 -0.02 0.00 3.68 0.15 -1.26 -0.83 113.70 115.37 3ig2 s SER 664 Ca -0.02 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.26 3ig2 s SER 664 Cb -0.03 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 3ig2 s SER 664 CO 0.01 -0.21 0.00 -0.90 1.20 0.00 0.00 173.24 173.35 3ig2 n ASP 665 N 4.81 0.00 0.22 5.45 5.68 -0.62 -4.99 116.55 127.10 3ig2 n ASP 665 Ca -0.15 -0.66 0.15 0.00 -0.50 0.00 0.00 54.79 53.63 3ig2 n ASP 665 Cb 0.51 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.25 3ig2 n ASP 665 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3ig2 h ASP 666 N 0.00 0.00 0.02 -1.12 3.04 -1.99 -3.10 116.42 113.26 3ig2 h ASP 666 Ca 0.00 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.44 3ig2 h ASP 666 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.24 3ig2 h ASP 666 CO 0.00 0.00 -1.94 -0.38 -2.04 0.00 0.00 179.24 174.88 3ig2 n ILE 667 N -2.56 1.56 -4.39 4.15 5.41 -1.26 -4.75 119.36 117.53 3ig2 n ILE 667 Ca -0.01 -0.30 -0.34 0.00 1.00 0.00 0.00 62.75 63.10 3ig2 n ILE 667 Cb 0.11 -1.88 -0.11 0.00 -0.71 0.00 0.00 39.64 37.06 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 -2.46 3.09 0.04 1.39 2.02 -1.17 0.10 117.35 120.36 3ig2 s TYR 668 Ca -0.32 -0.01 -0.18 0.00 -0.37 0.00 0.00 57.07 56.19 3ig2 s TYR 668 Cb 0.09 -1.86 -0.20 0.00 -0.40 0.00 0.00 41.96 39.59 3ig2 s TYR 668 CO 0.58 0.24 1.20 0.66 -1.57 0.00 0.00 175.55 176.67 3ig2 h SER 669 N 5.86 0.65 -3.55 2.29 4.64 -1.31 -1.65 113.55 120.48 3ig2 h SER 669 Ca -0.42 -0.68 -0.34 0.00 -0.47 0.00 0.00 61.79 59.87 3ig2 h SER 669 Cb 1.19 -0.19 -0.33 0.00 -0.31 0.00 0.00 62.40 62.75 3ig2 h SER 669 CO 0.59 1.23 -0.75 -0.89 -0.87 0.00 0.00 176.83 176.13 3ig2 s THR 670 N -3.54 0.25 0.14 2.95 2.01 -1.25 -4.66 115.64 111.54 3ig2 s THR 670 Ca -0.12 0.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.72 3ig2 s THR 670 Cb 0.05 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.29 3ig2 s THR 670 CO 0.84 0.14 0.44 0.00 -0.69 0.00 0.00 174.62 175.36 3ig2 s ALA 671 N 0.82 -1.02 0.03 7.40 0.00 -0.01 -0.67 121.76 128.31 3ig2 s ALA 671 Ca -0.09 0.00 0.09 0.00 0.00 0.00 0.00 51.96 51.96 3ig2 s ALA 671 Cb -0.12 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 3ig2 s ALA 671 CO -0.01 -0.68 -0.25 -0.51 0.00 0.00 0.00 175.76 174.30 3ig2 s LEU 672 N -2.81 2.14 0.05 0.00 1.43 0.01 -1.23 118.68 118.27 3ig2 s LEU 672 Ca 0.04 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3ig2 s LEU 672 Cb 0.01 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 3ig2 s LEU 672 CO -0.11 0.26 -0.02 0.42 0.23 0.00 0.00 176.35 177.13 3ig2 s THR 673 N -0.75 3.97 -0.12 5.49 -4.23 -0.01 -1.51 115.64 118.48 3ig2 s THR 673 Ca 0.11 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.81 3ig2 s THR 673 Cb -0.10 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.93 3ig2 s THR 673 CO 0.01 0.25 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.43 3ig2 s VAL 674 N -1.18 1.99 0.07 2.29 1.01 0.36 -0.98 120.40 123.96 3ig2 s VAL 674 Ca 0.22 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3ig2 s VAL 674 Cb -0.11 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3ig2 s VAL 674 CO 0.14 0.54 -0.06 0.20 0.00 0.00 0.00 175.10 175.91 3ig2 s ASN 675 N 0.60 0.94 0.88 3.32 0.01 -0.03 -0.52 114.94 120.14 3ig2 s ASN 675 Ca -0.13 -0.83 -0.12 0.00 -0.71 0.00 0.00 52.86 51.08 3ig2 s ASN 675 Cb -0.17 0.09 0.12 0.00 0.41 0.00 0.00 41.25 41.70 3ig2 s ASN 675 CO 0.03 -0.38 1.11 0.42 -1.51 0.00 0.00 177.10 176.77 3ig2 s THR 676 N -2.79 2.52 0.53 1.60 -4.23 -0.06 -1.15 115.64 112.06 3ig2 s THR 676 Ca 0.03 0.17 0.20 0.00 -1.18 0.00 0.00 61.69 60.90 3ig2 s THR 676 Cb -0.00 -2.83 0.31 0.00 1.34 0.00 0.00 72.50 71.32 3ig2 s THR 676 CO -0.03 -0.22 2.11 0.11 -0.54 0.00 0.00 174.62 176.05 3ig2 h LYS 677 N -1.42 0.00 0.00 3.99 1.57 -1.92 -0.74 116.57 118.05 3ig2 h LYS 677 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3ig2 h LYS 677 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3ig2 h LYS 677 CO 0.59 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.88 3ig2 n GLY 678 N -1.56 -1.18 0.18 3.86 0.00 -1.26 -4.89 105.19 100.35 3ig2 n GLY 678 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.22 0.92 3.70 -0.02 0.00 -0.28 -5.08 105.19 104.64 3ig2 n GLY 679 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3ig2 n GLY 679 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ig2 s LYS 680 N -0.91 4.42 0.04 1.61 2.20 -1.26 -4.80 119.74 121.04 3ig2 s LYS 680 Ca 0.00 1.10 -0.30 0.00 -0.36 0.00 0.00 55.97 56.41 3ig2 s LYS 680 Cb 0.00 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3ig2 s LYS 680 CO 0.00 -0.12 1.26 0.50 -0.36 0.00 0.00 175.35 176.63 3ig2 s ARG 681 N 1.37 4.38 -0.09 4.03 6.06 -1.26 -0.88 118.95 132.56 3ig2 s ARG 681 Ca 0.42 1.82 0.07 0.00 -2.50 0.00 0.00 55.73 55.54 3ig2 s ARG 681 Cb -0.18 -3.41 -0.10 0.00 0.06 0.00 0.00 34.95 31.32 3ig2 s ARG 681 CO 0.19 -0.37 0.01 1.28 -2.50 0.00 0.00 175.30 173.91 3ig2 n LEU 682 N 4.39 0.43 -3.49 -0.88 4.77 0.32 -4.79 117.00 117.75 3ig2 n LEU 682 Ca 0.10 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.92 3ig2 n LEU 682 Cb 0.45 0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 3ig2 n LEU 682 CO 0.56 0.28 0.42 0.00 -1.33 0.00 0.00 177.39 177.33 3ig2 s ALA 683 N -2.21 -1.71 -0.01 -1.18 0.00 -1.03 -0.53 121.76 115.09 3ig2 s ALA 683 Ca -0.06 1.03 -0.00 0.00 0.00 0.00 0.00 51.96 52.93 3ig2 s ALA 683 Cb 0.03 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.46 3ig2 s ALA 683 CO 0.34 -0.51 0.02 0.99 0.00 0.00 0.00 175.76 176.61 3ig2 s THR 684 N -2.06 -0.02 -0.11 0.00 2.01 -0.34 -0.49 115.64 114.62 3ig2 s THR 684 Ca -0.07 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 3ig2 s THR 684 Cb -0.00 -0.05 0.06 0.00 0.01 0.00 0.00 72.50 72.51 3ig2 s THR 684 CO 0.02 0.04 0.58 0.72 -0.69 0.00 0.00 174.62 175.29 3ig2 s PHE 685 N 0.46 -0.57 -1.88 4.92 -0.12 -0.57 0.07 117.98 120.29 3ig2 s PHE 685 Ca -0.04 1.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.99 3ig2 s PHE 685 Cb -0.05 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.62 3ig2 s PHE 685 CO -0.01 -0.46 0.00 0.41 -0.05 0.00 0.00 175.22 175.10 3ig2 n GLY 686 N 1.66 -0.75 3.67 1.99 0.00 -0.46 -0.81 105.19 110.49 3ig2 n GLY 686 Ca -0.18 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.00 5.15 0.30 1.61 1.01 0.15 -1.18 120.40 124.45 3ig2 s VAL 687 Ca 0.00 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 3ig2 s VAL 687 Cb 0.00 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 3ig2 s VAL 687 CO 0.00 0.23 1.22 -0.69 0.00 0.00 0.00 175.10 175.86 3ig2 s VAL 688 N 1.36 3.08 0.45 2.92 1.01 -0.38 -1.03 120.40 127.81 3ig2 s VAL 688 Ca 0.23 1.07 -0.25 0.00 0.00 0.00 0.00 61.98 63.02 3ig2 s VAL 688 Cb -0.15 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 3ig2 s VAL 688 CO 0.09 0.25 1.34 0.35 0.00 0.00 0.00 175.10 177.13 3ig2 n THR 689 N 1.11 2.77 -0.26 3.92 -2.24 0.11 -4.57 114.28 115.13 3ig2 n THR 689 Ca -0.00 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.31 3ig2 n THR 689 Cb 0.43 -1.69 0.16 0.00 -2.10 0.00 0.00 70.33 67.13 3ig2 n THR 689 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ig2 h LYS 690 N 2.10 0.57 -0.15 -0.78 6.56 -1.93 -2.33 116.57 120.62 3ig2 h LYS 690 Ca -0.49 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 3ig2 h LYS 690 Cb 1.28 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 3ig2 h LYS 690 CO 0.60 0.38 0.00 1.17 -2.06 0.00 0.00 179.45 179.54 3ig2 n LYS 691 N -4.88 0.00 0.00 3.15 4.81 -1.26 -1.57 118.16 118.41 3ig2 n LYS 691 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 3ig2 n LYS 691 Cb 0.31 -0.88 0.00 0.00 0.02 0.00 0.00 35.03 34.48 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 0.40 0.00 -0.03 3.14 4.77 -0.88 -1.55 117.00 122.85 3ig2 n LEU 693 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3ig2 n LEU 693 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3ig2 n LEU 693 CO 0.00 0.00 0.89 0.50 -1.33 0.00 0.00 177.39 177.45 3ig2 h LYS 694 N 0.00 0.22 0.00 3.23 1.63 -1.48 -0.65 116.57 119.53 3ig2 h LYS 694 Ca 0.00 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3ig2 h LYS 694 Cb 0.00 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3ig2 h LYS 694 CO 0.00 0.23 -0.01 0.00 -3.45 0.00 0.00 179.45 176.22 3ig2 h ALA 695 N 0.98 1.22 -0.41 5.00 0.00 -1.55 -1.81 119.26 122.70 3ig2 h ALA 695 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ig2 h ALA 695 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ig2 h ALA 695 CO -0.01 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.45 3ig2 n PHE 696 N -3.42 0.53 -3.00 0.00 3.72 -0.81 -4.97 117.46 109.51 3ig2 n PHE 696 Ca -0.03 -0.30 -0.18 0.00 -0.05 0.00 0.00 57.45 56.89 3ig2 n PHE 696 Cb 0.10 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.36 -5.32 -4.51 4.37 8.00 -0.68 -4.75 116.55 115.02 3ig2 n ASP 697 Ca 0.18 -0.28 -0.36 0.00 0.71 0.00 0.00 54.79 55.04 3ig2 n ASP 697 Cb 0.57 -4.10 -0.12 0.00 -0.02 0.00 0.00 41.12 37.45 3ig2 n ASP 697 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ig2 s VAL 698 N -3.11 4.50 -0.84 2.53 1.01 -0.31 -4.74 120.40 119.43 3ig2 s VAL 698 Ca 0.30 -0.12 0.24 0.00 0.00 0.00 0.00 61.98 62.41 3ig2 s VAL 698 Cb -0.13 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3ig2 s VAL 698 CO 0.37 0.37 1.30 0.47 0.00 0.00 0.00 175.10 177.60 3ig2 n ASP 699 N 4.55 0.59 -4.46 3.32 8.00 -1.26 -4.34 116.55 122.95 3ig2 n ASP 699 Ca -0.16 -0.19 -0.26 0.00 0.71 0.00 0.00 54.79 54.89 3ig2 n ASP 699 Cb 0.52 0.36 -0.11 0.00 -0.02 0.00 0.00 41.12 41.87 3ig2 n ASP 699 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3ig2 s ASN 700 N -3.47 3.64 0.59 -2.24 0.01 -1.26 -1.55 114.94 110.66 3ig2 s ASN 700 Ca 0.08 -0.83 -0.19 0.00 -0.71 0.00 0.00 52.86 51.22 3ig2 s ASN 700 Cb 0.16 -0.37 -0.04 0.00 0.41 0.00 0.00 41.25 41.41 3ig2 s ASN 700 CO 0.73 0.10 1.21 -1.61 -1.51 0.00 0.00 177.10 176.02 3ig2 s GLU 701 N -2.84 3.00 -0.07 -0.60 2.02 0.04 -4.77 118.70 115.48 3ig2 s GLU 701 Ca 0.23 1.83 0.02 0.00 0.02 0.00 0.00 54.97 57.07 3ig2 s GLU 701 Cb -0.08 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.23 3ig2 s GLU 701 CO 0.12 -1.18 -0.11 0.08 0.02 0.00 0.00 175.26 174.19 3ig2 s VAL 702 N -1.59 1.06 -0.17 2.63 1.01 -1.26 -0.02 120.40 122.06 3ig2 s VAL 702 Ca 0.77 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 3ig2 s VAL 702 Cb -0.30 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3ig2 s VAL 702 CO 0.33 0.34 -0.05 -0.31 0.00 0.00 0.00 175.10 175.42 3ig2 s TYR 703 N 0.88 2.98 -0.03 5.22 4.12 0.25 -1.25 117.35 129.52 3ig2 s TYR 703 Ca -0.11 -0.47 0.03 0.00 0.02 0.00 0.00 57.07 56.55 3ig2 s TYR 703 Cb -0.15 -1.98 -0.00 0.00 -1.52 0.00 0.00 41.96 38.31 3ig2 s TYR 703 CO 0.01 -0.16 -0.12 -0.47 0.02 0.00 0.00 175.55 174.82 3ig2 s TYR 704 N 0.60 1.22 -0.02 2.71 5.04 -0.32 -0.05 117.35 126.54 3ig2 s TYR 704 Ca -0.03 -0.31 0.06 0.00 -2.44 0.00 0.00 57.07 54.35 3ig2 s TYR 704 Cb -0.15 -0.84 -0.01 0.00 0.35 0.00 0.00 41.96 41.31 3ig2 s TYR 704 CO 0.03 -0.11 -0.20 0.00 -1.34 0.00 0.00 175.55 173.93 3ig2 s ALA 705 N 0.06 1.63 -0.21 3.97 0.00 0.42 -1.35 121.76 126.28 3ig2 s ALA 705 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3ig2 s ALA 705 Cb -0.09 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.66 3ig2 s ALA 705 CO 0.01 0.40 -0.10 0.34 0.00 0.00 0.00 175.76 176.40 3ig2 s ASP 706 N -0.44 3.61 -0.17 0.00 2.15 0.11 -1.21 116.67 120.72 3ig2 s ASP 706 Ca 0.07 -1.00 -0.06 0.00 0.43 0.00 0.00 52.55 51.99 3ig2 s ASP 706 Cb -0.08 -1.29 -0.04 0.00 -0.30 0.00 0.00 42.92 41.22 3ig2 s ASP 706 CO -0.01 -0.16 0.02 -0.76 -0.17 0.00 0.00 175.17 174.10 3ig2 s LEU 707 N 1.35 3.60 -1.13 -1.34 1.02 0.01 -1.20 118.68 120.98 3ig2 s LEU 707 Ca -0.03 0.00 -0.20 0.00 0.02 0.00 0.00 54.13 53.93 3ig2 s LEU 707 Cb -0.17 -1.89 0.08 0.00 0.02 0.00 0.00 46.19 44.23 3ig2 s LEU 707 CO -0.08 0.18 1.50 0.20 0.02 0.00 0.00 176.35 178.17 3ig2 s ASN 708 N 0.35 6.71 0.19 2.29 0.01 0.31 -1.40 114.94 123.39 3ig2 s ASN 708 Ca 0.00 -2.07 -0.14 0.00 -0.71 0.00 0.00 52.86 49.94 3ig2 s ASN 708 Cb -0.13 -2.53 0.19 0.00 0.41 0.00 0.00 41.25 39.19 3ig2 s ASN 708 CO 0.01 -1.23 1.68 -0.25 -1.51 0.00 0.00 177.10 175.80 3ig2 h TRP 709 N 8.56 -0.02 -1.01 2.20 2.91 -1.79 -1.65 115.95 125.15 3ig2 h TRP 709 Ca 0.30 0.04 0.08 0.00 1.13 0.00 0.00 58.89 60.43 3ig2 h TRP 709 Cb 0.95 0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 29.61 3ig2 h TRP 709 CO 1.29 -0.11 0.65 0.87 -1.03 0.00 0.00 178.44 180.11 3ig2 h LYS 710 N 0.12 1.10 0.00 2.65 1.79 -1.91 -0.64 116.57 119.68 3ig2 h LYS 710 Ca 0.25 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3ig2 h LYS 710 Cb 0.38 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3ig2 h LYS 710 CO -0.41 0.72 -0.01 0.93 -1.08 0.00 0.00 179.45 179.60 3ig2 h GLU 711 N 1.13 0.00 -0.01 3.15 4.39 -1.66 -3.53 114.58 118.06 3ig2 h GLU 711 Ca 0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 3ig2 h GLU 711 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3ig2 h GLU 711 CO -0.20 0.01 0.00 1.28 -1.16 0.00 0.00 179.01 178.94