#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj8 s PRO 487 N 0.00 3.56 0.48 0.54 0.04 -1.26 -4.92 135.00 133.43 1sj8 s PRO 487 Ca 0.00 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.85 1sj8 s PRO 487 Cb 0.00 -2.41 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 1sj8 s PRO 487 CO 0.00 -0.79 0.66 1.28 0.04 0.00 0.00 177.00 178.19 1sj8 n LEU 488 N -0.58 0.97 -4.94 -3.56 4.77 -1.26 -5.01 117.00 107.39 1sj8 n LEU 488 Ca 0.08 0.87 -0.26 0.00 -0.03 0.00 0.00 56.01 56.67 1sj8 n LEU 488 Cb 0.46 -1.20 0.09 0.00 -2.33 0.00 0.00 43.42 40.44 1sj8 n LEU 488 CO 0.51 -2.60 0.63 0.42 -1.33 0.00 0.00 177.39 175.03 1sj8 s THR 489 N -1.51 2.23 0.24 -5.08 -4.23 -1.26 -4.84 115.64 101.19 1sj8 s THR 489 Ca 0.66 -0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 1sj8 s THR 489 Cb -0.53 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 70.57 1sj8 s THR 489 CO 0.56 0.00 1.75 0.28 -0.54 0.00 0.00 174.62 176.67 1sj8 h SER 490 N -0.70 0.40 -0.56 3.99 0.02 -1.98 0.15 113.55 114.86 1sj8 h SER 490 Ca -0.43 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 1sj8 h SER 490 Cb 1.30 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.85 1sj8 h SER 490 CO 0.55 0.18 0.23 0.00 -1.14 0.00 0.00 176.83 176.65 1sj8 h ALA 491 N 1.51 1.27 -0.32 3.77 0.00 -1.99 0.12 119.26 123.63 1sj8 h ALA 491 Ca 0.41 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 1sj8 h ALA 491 Cb 0.56 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1sj8 h ALA 491 CO -0.35 0.53 -0.46 1.96 0.00 0.00 0.00 179.25 180.93 1sj8 h GLN 492 N 0.86 0.85 -0.41 0.00 4.20 -1.76 -1.32 115.11 117.54 1sj8 h GLN 492 Ca 0.20 -0.49 -0.15 0.00 0.06 0.00 0.00 58.65 58.28 1sj8 h GLN 492 Cb 0.19 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1sj8 h GLN 492 CO -0.02 1.13 -0.33 1.96 -0.67 0.00 0.00 178.83 180.90 1sj8 h GLN 493 N 0.67 0.94 -0.44 1.46 4.20 -0.54 -2.20 115.11 119.20 1sj8 h GLN 493 Ca 0.04 -0.47 -0.03 0.00 0.06 0.00 0.00 58.65 58.25 1sj8 h GLN 493 Cb 1.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 1sj8 h GLN 493 CO 0.10 1.13 0.16 0.00 -0.67 0.00 0.00 178.83 179.55 1sj8 h ALA 494 N 0.79 0.57 -0.90 3.87 0.00 -0.80 -1.93 119.26 120.86 1sj8 h ALA 494 Ca 0.07 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1sj8 h ALA 494 Cb 0.92 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1sj8 h ALA 494 CO 0.09 0.19 0.58 1.25 0.00 0.00 0.00 179.25 181.36 1sj8 h LEU 495 N 0.56 0.73 -1.04 0.00 5.85 -0.90 -0.64 115.31 119.87 1sj8 h LEU 495 Ca 0.14 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1sj8 h LEU 495 Cb 0.22 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1sj8 h LEU 495 CO -0.01 0.39 0.65 0.74 -0.34 0.00 0.00 178.44 179.87 1sj8 h THR 496 N 0.78 1.20 0.00 1.05 2.02 -0.78 -0.45 112.91 116.73 1sj8 h THR 496 Ca 0.44 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1sj8 h THR 496 Cb 0.60 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1sj8 h THR 496 CO -0.21 0.23 -0.18 1.23 0.37 0.00 0.00 175.52 176.97 1sj8 h GLY 497 N 1.27 0.00 0.72 2.16 0.00 -0.40 0.18 103.07 107.01 1sj8 h GLY 497 Ca 0.38 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.50 1sj8 h GLY 497 CO -0.10 0.00 -0.91 -0.84 0.00 0.00 0.00 176.54 174.68 1sj8 h THR 498 N 0.00 1.46 -0.91 4.70 2.02 -0.51 -2.93 112.91 116.75 1sj8 h THR 498 Ca -0.00 -2.54 0.04 0.00 0.77 0.00 0.00 66.41 64.68 1sj8 h THR 498 Cb 0.65 3.16 -0.05 0.00 -1.74 0.00 0.00 68.15 70.17 1sj8 h THR 498 CO 0.02 0.72 0.59 0.40 0.37 0.00 0.00 175.52 177.63 1sj8 h ILE 499 N -0.33 1.13 -0.37 3.11 2.04 -1.08 -0.42 117.51 121.60 1sj8 h ILE 499 Ca -0.16 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1sj8 h ILE 499 Cb 1.70 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1sj8 h ILE 499 CO 0.16 0.20 0.18 0.78 0.00 0.00 0.00 178.15 179.47 1sj8 h ASN 500 N 1.11 0.48 -0.86 1.72 -0.26 -0.60 0.23 115.58 117.39 1sj8 h ASN 500 Ca 0.37 -0.12 0.02 0.00 -0.56 0.00 0.00 56.30 56.01 1sj8 h ASN 500 Cb 0.06 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 37.15 1sj8 h ASN 500 CO -0.12 0.46 0.57 0.28 -1.06 0.00 0.00 177.43 177.56 1sj8 h SER 501 N 0.46 0.97 -0.19 5.81 0.02 -1.30 -2.04 113.55 117.27 1sj8 h SER 501 Ca 0.13 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1sj8 h SER 501 Cb 0.10 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1sj8 h SER 501 CO -0.02 0.69 -0.34 0.28 -1.14 0.00 0.00 176.83 176.30 1sj8 h SER 502 N 1.14 0.63 -0.62 3.07 0.02 -0.08 -2.45 113.55 115.26 1sj8 h SER 502 Ca 0.33 -0.54 0.09 0.00 -0.84 0.00 0.00 61.79 60.83 1sj8 h SER 502 Cb -0.09 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.20 1sj8 h SER 502 CO -0.09 1.05 0.26 0.24 -1.14 0.00 0.00 176.83 177.16 1sj8 h MET 503 N 0.23 0.45 -0.57 3.45 2.07 -0.52 -1.27 114.93 118.77 1sj8 h MET 503 Ca 0.01 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1sj8 h MET 503 Cb 0.93 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.53 1sj8 h MET 503 CO 0.08 0.30 0.37 0.37 1.07 0.00 0.00 176.91 179.10 1sj8 h GLN 504 N 0.47 0.75 0.00 1.72 4.15 -1.33 -0.90 115.11 119.97 1sj8 h GLN 504 Ca 0.31 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1sj8 h GLN 504 Cb 0.35 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1sj8 h GLN 504 CO -0.28 0.50 0.00 0.00 -1.93 0.00 0.00 178.83 177.12 1sj8 h ALA 505 N 1.64 1.00 0.00 3.38 0.00 -0.84 -2.78 119.26 121.65 1sj8 h ALA 505 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.89 1sj8 h ALA 505 Cb -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1sj8 h ALA 505 CO -0.04 0.00 -1.40 0.28 0.00 0.00 0.00 179.25 178.09 1sj8 h VAL 506 N 0.00 0.93 -0.00 0.00 2.07 -0.10 -2.52 116.25 116.63 1sj8 h VAL 506 Ca 0.00 -2.63 -0.18 0.00 0.82 0.00 0.00 66.70 64.70 1sj8 h VAL 506 Cb 0.78 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 1sj8 h VAL 506 CO 0.00 0.53 -0.84 0.06 0.02 0.00 0.00 177.57 177.34 1sj8 h GLN 507 N 0.00 0.12 -0.20 1.57 3.07 -1.14 -1.44 115.11 117.09 1sj8 h GLN 507 Ca -0.18 -0.13 -0.06 0.00 0.09 0.00 0.00 58.65 58.37 1sj8 h GLN 507 Cb 1.81 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 29.40 1sj8 h GLN 507 CO 0.08 0.89 -0.10 0.00 0.09 0.00 0.00 178.83 179.79 1sj8 h ALA 508 N 1.07 0.28 -0.42 0.06 0.00 -1.53 0.57 119.26 119.30 1sj8 h ALA 508 Ca -0.03 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1sj8 h ALA 508 Cb 1.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1sj8 h ALA 508 CO 0.12 0.12 -0.26 0.00 0.00 0.00 0.00 179.25 179.23 1sj8 h ALA 509 N 0.70 0.75 -0.86 0.00 0.00 -1.44 -1.70 119.26 116.71 1sj8 h ALA 509 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1sj8 h ALA 509 Cb 0.59 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1sj8 h ALA 509 CO 0.03 0.66 0.51 0.37 0.00 0.00 0.00 179.25 180.82 1sj8 h GLN 510 N 0.75 1.17 -1.98 0.00 4.15 -1.17 -0.84 115.11 117.18 1sj8 h GLN 510 Ca 0.09 -0.11 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 1sj8 h GLN 510 Cb 0.81 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1sj8 h GLN 510 CO 0.07 0.83 -0.14 0.00 -1.93 0.00 0.00 178.83 177.66 1sj8 n ALA 511 N -2.37 5.17 -0.15 3.38 0.00 0.18 -2.49 120.51 124.23 1sj8 n ALA 511 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1sj8 n ALA 511 Cb 0.07 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1sj8 n ALA 511 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sj8 n THR 512 N 1.88 0.00 0.00 0.00 -1.04 -0.33 -4.75 114.28 110.04 1sj8 n THR 512 Ca 0.22 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.26 1sj8 n THR 512 Cb 0.69 0.30 0.22 0.00 -1.82 0.00 0.00 70.33 69.72 1sj8 n THR 512 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1sj8 n LEU 513 N 0.00 3.51 0.09 -4.42 4.77 -1.04 -4.26 117.00 115.65 1sj8 n LEU 513 Ca 0.00 -1.78 -0.06 0.00 -0.03 0.00 0.00 56.01 54.15 1sj8 n LEU 513 Cb 0.00 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1sj8 n LEU 513 CO 0.00 0.45 0.15 0.44 -1.33 0.00 0.00 177.39 177.11 1sj8 h ASP 514 N 2.13 -0.27 -4.93 -1.43 3.32 -1.85 -3.45 116.42 109.93 1sj8 h ASP 514 Ca 0.00 -0.03 -0.53 0.00 0.02 0.00 0.00 57.03 56.49 1sj8 h ASP 514 Cb 1.28 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.82 1sj8 h ASP 514 CO 0.26 0.20 -0.34 -0.67 -1.72 0.00 0.00 179.24 176.97 1sj8 n ASP 515 N -4.99 2.94 -4.87 6.45 4.64 -1.26 -5.09 116.55 114.37 1sj8 n ASP 515 Ca -0.05 -2.76 -0.31 0.00 -1.38 0.00 0.00 54.79 50.29 1sj8 n ASP 515 Cb 0.15 0.19 -0.01 0.00 -1.04 0.00 0.00 41.12 40.40 1sj8 n ASP 515 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 1sj8 s PHE 516 N -2.44 3.54 0.12 -0.67 0.08 -1.26 -4.91 117.98 112.43 1sj8 s PHE 516 Ca 0.08 1.26 -0.30 0.00 0.12 0.00 0.00 56.93 58.09 1sj8 s PHE 516 Cb -0.01 -2.65 -0.07 0.00 -0.57 0.00 0.00 43.02 39.72 1sj8 s PHE 516 CO 0.05 -0.44 1.20 -2.00 -0.10 0.00 0.00 175.22 173.92 1sj8 s GLU 517 N -4.55 4.47 0.07 0.44 2.56 -1.14 -4.94 118.70 115.60 1sj8 s GLU 517 Ca 0.55 1.81 -0.31 0.00 0.00 0.00 0.00 54.97 57.03 1sj8 s GLU 517 Cb -0.10 -3.30 -0.08 0.00 2.00 0.00 0.00 34.13 32.65 1sj8 s GLU 517 CO 0.42 -0.17 1.64 -0.08 -0.56 0.00 0.00 175.26 176.51 1sj8 s THR 518 N 0.52 3.04 0.05 -1.70 -1.32 -1.26 -4.86 115.64 110.12 1sj8 s THR 518 Ca 0.56 0.51 0.01 0.00 -1.21 0.00 0.00 61.69 61.56 1sj8 s THR 518 Cb -0.31 -3.33 -0.04 0.00 -1.51 0.00 0.00 72.50 67.31 1sj8 s THR 518 CO 0.32 0.00 0.11 -0.76 -2.21 0.00 0.00 174.62 172.09 1sj8 s LEU 519 N 2.55 3.96 -0.66 9.08 1.02 -1.26 -5.04 118.68 128.33 1sj8 s LEU 519 Ca 0.73 0.09 -0.26 0.00 0.02 0.00 0.00 54.13 54.72 1sj8 s LEU 519 Cb -0.40 -2.55 0.04 0.00 0.02 0.00 0.00 46.19 43.31 1sj8 s LEU 519 CO 0.32 0.20 1.15 -2.16 0.02 0.00 0.00 176.35 175.87 1sj8 s PRO 520 N -2.26 3.27 -0.12 1.29 0.04 -1.26 -4.93 135.00 131.02 1sj8 s PRO 520 Ca 0.29 -0.25 -0.38 0.00 0.04 0.00 0.00 61.00 60.70 1sj8 s PRO 520 Cb -0.12 -4.13 -0.18 0.00 0.04 0.00 0.00 34.50 30.10 1sj8 s PRO 520 CO 0.22 -1.88 1.09 -0.35 0.04 0.00 0.00 177.00 176.12 1sj8 n PRO 521 N 8.55 0.00 0.00 0.56 -0.04 -1.26 -4.88 135.00 137.93 1sj8 n PRO 521 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1sj8 n PRO 521 Cb 0.48 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1sj8 n PRO 521 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sj8 n LEU 522 N 1.95 0.00 0.00 1.53 4.32 -1.26 -5.17 117.00 118.37 1sj8 n LEU 522 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1sj8 n LEU 522 Cb 0.04 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 1sj8 n LEU 522 CO 0.62 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 1sj8 n GLY 523 N 5.00 0.63 0.00 -0.72 0.00 -1.26 -4.85 105.19 103.99 1sj8 n GLY 523 Ca 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.31 1sj8 n GLY 523 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sj8 n GLN 524 N -1.69 0.67 -1.36 1.61 3.00 -1.26 -3.20 117.38 115.16 1sj8 n GLN 524 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 57.00 56.51 1sj8 n GLN 524 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 30.24 29.07 1sj8 n GLN 524 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1sj8 n ASP 525 N -0.63 -0.95 0.00 1.08 -0.08 -1.26 -4.59 116.55 110.12 1sj8 n ASP 525 Ca 0.04 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 1sj8 n ASP 525 Cb 0.02 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 42.58 1sj8 n ASP 525 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sj8 n ALA 526 N 0.30 0.00 -0.19 -1.67 0.00 -1.26 -1.48 120.51 116.21 1sj8 n ALA 526 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 1sj8 n ALA 526 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 1sj8 n ALA 526 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sj8 n ALA 527 N -1.31 -0.29 -0.01 0.00 0.00 -1.26 -1.38 120.51 116.26 1sj8 n ALA 527 Ca 0.00 0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.82 1sj8 n ALA 527 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 19.45 19.54 1sj8 n ALA 527 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1sj8 n SER 528 N -4.05 -0.03 -0.29 0.00 7.64 -1.14 -1.17 113.62 114.58 1sj8 n SER 528 Ca 0.01 0.56 0.26 0.00 1.01 0.00 0.00 58.87 60.71 1sj8 n SER 528 Cb 0.12 -0.26 0.44 0.00 -1.01 0.00 0.00 64.21 63.50 1sj8 n SER 528 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1sj8 n LYS 529 N -2.65 -0.03 -0.81 1.43 0.00 -0.48 0.32 118.16 115.94 1sj8 n LYS 529 Ca 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 58.31 59.13 1sj8 n LYS 529 Cb 0.01 -1.68 0.21 0.00 0.00 0.00 0.00 35.03 33.57 1sj8 n LYS 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sj8 n ALA 530 N -2.54 4.29 -0.12 3.14 0.00 -0.32 -4.23 120.51 120.73 1sj8 n ALA 530 Ca 0.27 -2.96 -0.17 0.00 0.00 0.00 0.00 53.44 50.58 1sj8 n ALA 530 Cb 1.01 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 19.50 1sj8 n ALA 530 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1sj8 n TRP 531 N -1.01 0.00 0.24 0.00 -0.00 0.94 -3.52 117.44 114.10 1sj8 n TRP 531 Ca 0.35 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.96 1sj8 n TRP 531 Cb 1.11 -0.96 0.72 0.00 -0.00 0.00 0.00 31.31 32.18 1sj8 n TRP 531 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1sj8 h ARG 532 N 0.00 0.00 0.21 5.87 -0.00 -1.72 -1.93 114.38 116.80 1sj8 h ARG 532 Ca -0.56 0.00 -0.29 0.00 -0.50 0.00 0.00 59.98 58.63 1sj8 h ARG 532 Cb 1.90 0.00 0.03 0.00 0.00 0.00 0.00 29.97 31.90 1sj8 h ARG 532 CO -0.08 0.00 -1.31 -0.22 0.00 0.00 0.00 179.97 178.36 1sj8 h LYS 533 N 0.00 0.44 0.00 0.04 3.64 -1.78 -1.69 116.57 117.22 1sj8 h LYS 533 Ca 0.03 -0.76 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1sj8 h LYS 533 Cb 0.13 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1sj8 h LYS 533 CO -0.00 1.36 0.00 -1.71 -2.27 0.00 0.00 179.45 176.83 1sj8 n ASN 534 N -3.84 0.00 -0.04 4.20 2.85 -1.04 -1.37 115.26 116.02 1sj8 n ASN 534 Ca -0.17 0.85 0.24 0.00 -0.11 0.00 0.00 54.58 55.39 1sj8 n ASN 534 Cb 1.01 -0.35 0.72 0.00 1.24 0.00 0.00 39.78 42.39 1sj8 n ASN 534 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1sj8 h LYS 535 N 0.00 0.00 -0.32 1.20 1.79 -1.55 0.06 116.57 117.74 1sj8 h LYS 535 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1sj8 h LYS 535 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1sj8 h LYS 535 CO 0.00 0.00 -0.33 1.98 -1.08 0.00 0.00 179.45 180.02 1sj8 h MET 536 N 0.00 0.80 0.01 3.15 4.05 -1.09 -3.06 114.93 118.79 1sj8 h MET 536 Ca 0.31 -0.43 -0.23 0.00 -0.28 0.00 0.00 59.70 59.08 1sj8 h MET 536 Cb 1.44 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.25 1sj8 h MET 536 CO -0.00 1.06 -0.95 -0.44 0.23 0.00 0.00 176.91 176.80 1sj8 h ASP 537 N 0.57 0.49 0.64 1.39 3.32 0.20 -0.79 116.42 122.25 1sj8 h ASP 537 Ca 0.05 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 1sj8 h ASP 537 Cb 0.92 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.32 1sj8 h ASP 537 CO 0.08 1.21 -0.31 -0.33 -1.72 0.00 0.00 179.24 178.17 1sj8 h GLU 538 N 0.21 -0.83 0.00 3.56 4.39 -1.18 -2.93 114.58 117.79 1sj8 h GLU 538 Ca -0.08 0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1sj8 h GLU 538 Cb 1.59 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 30.43 1sj8 h GLU 538 CO 0.16 -0.56 -0.02 0.66 -1.16 0.00 0.00 179.01 178.10 1sj8 h SER 539 N -0.88 0.00 0.55 1.42 4.64 -1.62 -0.13 113.55 117.53 1sj8 h SER 539 Ca -0.09 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 1sj8 h SER 539 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1sj8 h SER 539 CO 0.15 0.02 -0.18 0.50 -0.87 0.00 0.00 176.83 176.44 1sj8 h LYS 540 N 0.00 0.00 0.00 4.77 3.64 -0.99 0.26 116.57 124.26 1sj8 h LYS 540 Ca -0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.01 1sj8 h LYS 540 Cb 0.04 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 1sj8 h LYS 540 CO 0.00 0.18 -2.38 -2.39 -2.27 0.00 0.00 179.45 172.60 1sj8 n HIS 541 N -3.60 0.08 0.26 1.91 1.44 -0.56 -3.44 115.22 111.31 1sj8 n HIS 541 Ca -0.01 0.02 -0.16 0.00 -2.01 0.00 0.00 57.72 55.56 1sj8 n HIS 541 Cb 0.32 -1.01 -0.09 0.00 0.12 0.00 0.00 29.99 29.33 1sj8 n HIS 541 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1sj8 h GLU 542 N 0.00 -0.86 -0.86 -1.40 5.08 -1.03 -1.21 114.58 114.29 1sj8 h GLU 542 Ca -0.54 0.06 0.32 0.00 -1.00 0.00 0.00 59.36 58.20 1sj8 h GLU 542 Cb 2.11 0.20 -0.16 0.00 0.50 0.00 0.00 28.75 31.40 1sj8 h GLU 542 CO -0.01 -0.58 0.33 -0.89 -1.00 0.00 0.00 179.01 176.87 1sj8 n ILE 543 N -5.15 -0.36 -0.00 3.13 2.08 0.07 -0.08 119.36 119.04 1sj8 n ILE 543 Ca -0.11 1.80 -0.12 0.00 0.56 0.00 0.00 62.75 64.88 1sj8 n ILE 543 Cb 0.41 -2.83 -0.07 0.00 -0.75 0.00 0.00 39.64 36.41 1sj8 n ILE 543 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 1sj8 h HIS 544 N 0.00 0.11 -0.41 1.39 2.76 -1.28 0.10 115.15 117.82 1sj8 h HIS 544 Ca 0.67 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.74 1sj8 h HIS 544 Cb 1.68 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.59 1sj8 h HIS 544 CO -0.14 0.21 -0.14 0.66 -1.30 0.00 0.00 177.93 177.22 1sj8 h SER 545 N -0.03 0.74 -0.20 3.26 4.64 0.33 -1.72 113.55 120.58 1sj8 h SER 545 Ca 0.02 -0.23 -0.12 0.00 -0.47 0.00 0.00 61.79 60.99 1sj8 h SER 545 Cb 0.14 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1sj8 h SER 545 CO -0.00 0.90 -0.31 1.56 -0.87 0.00 0.00 176.83 178.11 1sj8 h GLN 546 N 0.68 0.69 0.00 4.77 4.20 -0.93 -1.15 115.11 123.37 1sj8 h GLN 546 Ca 0.11 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 1sj8 h GLN 546 Cb 0.61 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1sj8 h GLN 546 CO 0.04 0.91 -0.21 0.28 -0.67 0.00 0.00 178.83 179.19 1sj8 h VAL 547 N 0.59 0.87 -0.22 -0.54 2.07 -0.39 -1.83 116.25 116.81 1sj8 h VAL 547 Ca 0.07 -0.79 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 1sj8 h VAL 547 Cb 0.81 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1sj8 h VAL 547 CO 0.07 0.20 -0.44 0.44 0.02 0.00 0.00 177.57 177.86 1sj8 h ASP 548 N 0.00 0.59 1.28 0.57 3.45 -0.32 -1.66 116.42 120.32 1sj8 h ASP 548 Ca -0.00 -0.27 -0.15 0.00 0.43 0.00 0.00 57.03 57.04 1sj8 h ASP 548 Cb 0.45 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 1sj8 h ASP 548 CO 0.03 0.95 -0.70 0.00 -1.57 0.00 0.00 179.24 177.95 1sj8 h ALA 549 N 1.07 0.56 -0.16 3.45 0.00 -1.06 -2.20 119.26 120.92 1sj8 h ALA 549 Ca 0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1sj8 h ALA 549 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1sj8 h ALA 549 CO 0.08 0.87 0.00 0.82 0.00 0.00 0.00 179.25 181.03 1sj8 h ILE 550 N 0.00 1.25 -0.27 0.00 1.08 -0.94 -1.71 117.51 116.93 1sj8 h ILE 550 Ca -0.01 -0.84 -0.14 0.00 -0.39 0.00 0.00 64.86 63.48 1sj8 h ILE 550 Cb 1.52 1.49 -0.00 0.00 -3.07 0.00 0.00 36.82 36.76 1sj8 h ILE 550 CO 0.09 0.25 -0.39 0.71 -0.69 0.00 0.00 178.15 178.12 1sj8 h THR 551 N 0.03 1.30 -0.57 -0.27 1.35 -1.32 -0.40 112.91 113.03 1sj8 h THR 551 Ca 0.05 -1.58 -0.00 0.00 -0.55 0.00 0.00 66.41 64.32 1sj8 h THR 551 Cb 0.37 1.67 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 1sj8 h THR 551 CO 0.01 0.51 0.34 0.00 -0.25 0.00 0.00 175.52 176.12 1sj8 h ALA 552 N 0.67 0.72 -0.02 6.62 0.00 -1.48 0.25 119.26 126.02 1sj8 h ALA 552 Ca 0.03 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1sj8 h ALA 552 Cb 0.98 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1sj8 h ALA 552 CO 0.09 0.21 -0.61 0.78 0.00 0.00 0.00 179.25 179.72 1sj8 h GLY 553 N 0.76 0.07 1.92 0.00 0.00 -1.12 -0.70 103.07 104.01 1sj8 h GLY 553 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1sj8 h GLY 553 CO -0.04 0.08 -0.05 -1.30 0.00 0.00 0.00 176.54 175.23 1sj8 n THR 554 N -3.83 0.30 0.01 4.70 -2.24 -0.18 -0.38 114.28 112.67 1sj8 n THR 554 Ca -0.02 -0.15 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 1sj8 n THR 554 Cb 0.61 -0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 1sj8 n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sj8 h ALA 555 N 2.75 0.61 0.22 6.98 0.00 -0.17 -3.05 119.26 126.60 1sj8 h ALA 555 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 54.91 53.64 1sj8 h ALA 555 Cb 0.62 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1sj8 h ALA 555 CO 0.00 1.45 -0.10 1.03 0.00 0.00 0.00 179.25 181.63 1sj8 h SER 556 N 0.00 -0.25 -0.85 0.00 0.87 -0.89 -1.50 113.55 110.94 1sj8 h SER 556 Ca -0.18 -0.26 0.17 0.00 -1.23 0.00 0.00 61.79 60.29 1sj8 h SER 556 Cb 1.92 0.06 -0.10 0.00 -0.44 0.00 0.00 62.40 63.84 1sj8 h SER 556 CO 0.10 0.16 0.40 0.58 -0.53 0.00 0.00 176.83 177.54 1sj8 h VAL 557 N -0.71 0.63 -0.25 2.23 2.07 -0.82 0.40 116.25 119.79 1sj8 h VAL 557 Ca -0.03 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1sj8 h VAL 557 Cb 0.49 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1sj8 h VAL 557 CO 0.05 0.09 0.16 0.58 0.02 0.00 0.00 177.57 178.47 1sj8 h VAL 558 N 0.52 1.05 -0.25 2.57 2.07 -1.37 -2.21 116.25 118.63 1sj8 h VAL 558 Ca 0.49 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.80 1sj8 h VAL 558 Cb 0.79 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1sj8 h VAL 558 CO -0.43 0.06 -0.24 0.78 0.02 0.00 0.00 177.57 177.76 1sj8 h ASN 559 N 0.32 0.46 1.20 0.57 2.35 -0.77 -3.10 115.58 116.62 1sj8 h ASN 559 Ca 0.10 -0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.54 1sj8 h ASN 559 Cb -0.02 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1sj8 h ASN 559 CO -0.03 0.70 -0.73 -0.07 -1.65 0.00 0.00 177.43 175.65 1sj8 h LEU 560 N 0.41 0.00 -1.84 1.61 3.38 -0.58 -3.01 115.31 115.28 1sj8 h LEU 560 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sj8 h LEU 560 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1sj8 h LEU 560 CO 0.05 0.73 0.00 0.35 0.09 0.00 0.00 178.44 179.66 1sj8 n THR 561 N -3.32 0.48 0.25 0.22 -2.24 -0.86 -4.00 114.28 104.81 1sj8 n THR 561 Ca 0.01 -0.61 0.12 0.00 -2.27 0.00 0.00 64.05 61.29 1sj8 n THR 561 Cb 0.82 0.60 0.61 0.00 -2.10 0.00 0.00 70.33 70.26 1sj8 n THR 561 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sj8 h ALA 562 N 4.21 1.16 -3.02 6.98 0.00 -1.45 -3.45 119.26 123.70 1sj8 h ALA 562 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1sj8 h ALA 562 Cb 0.75 -0.03 0.05 0.00 0.00 0.00 0.00 17.79 18.57 1sj8 h ALA 562 CO 0.00 0.21 -0.03 0.41 0.00 0.00 0.00 179.25 179.84 1sj8 n GLY 563 N -0.32 -3.49 3.32 0.00 0.00 -1.26 -5.00 105.19 98.46 1sj8 n GLY 563 Ca -0.01 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 1sj8 n GLY 563 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sj8 s ASP 564 N -2.28 4.70 -0.38 1.61 1.11 -1.26 -4.89 116.67 115.28 1sj8 s ASP 564 Ca 0.17 -0.54 -0.07 0.00 0.18 0.00 0.00 52.55 52.29 1sj8 s ASP 564 Cb -0.03 -1.80 -0.11 0.00 1.07 0.00 0.00 42.92 42.05 1sj8 s ASP 564 CO 0.14 -0.10 0.91 -2.65 1.18 0.00 0.00 175.17 174.66 1sj8 n PRO 565 N 4.82 0.00 0.00 8.23 -0.02 -1.26 0.98 135.00 147.75 1sj8 n PRO 565 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1sj8 n PRO 565 Cb 0.49 -0.46 0.00 0.00 -0.02 0.00 0.00 33.50 33.51 1sj8 n PRO 565 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sj8 n ALA 566 N 2.88 0.00 0.58 3.55 0.00 -1.26 -4.84 120.51 121.42 1sj8 n ALA 566 Ca 0.26 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.76 1sj8 n ALA 566 Cb 0.04 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.53 1sj8 n ALA 566 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sj8 n GLU 567 N 0.00 1.20 -2.72 0.00 4.71 0.27 -4.99 120.64 119.11 1sj8 n GLU 567 Ca 0.00 -1.14 -0.40 0.00 -0.01 0.00 0.00 57.16 55.61 1sj8 n GLU 567 Cb 0.00 -1.24 -0.05 0.00 -1.01 0.00 0.00 31.44 29.14 1sj8 n GLU 567 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1sj8 s THR 568 N -1.29 4.20 -0.50 2.62 2.01 -1.22 -4.77 115.64 116.69 1sj8 s THR 568 Ca 0.14 2.04 -0.14 0.00 0.31 0.00 0.00 61.69 64.05 1sj8 s THR 568 Cb 0.11 -4.30 0.11 0.00 0.01 0.00 0.00 72.50 68.43 1sj8 s THR 568 CO 0.22 0.42 0.42 -0.62 -0.69 0.00 0.00 174.62 174.37 1sj8 s ASP 569 N -0.68 6.01 0.34 3.53 3.68 -1.26 -4.92 116.67 123.37 1sj8 s ASP 569 Ca 0.44 -1.74 0.26 0.00 2.13 0.00 0.00 52.55 53.64 1sj8 s ASP 569 Cb -0.25 -2.13 0.73 0.00 -1.45 0.00 0.00 42.92 39.81 1sj8 s ASP 569 CO 0.32 -0.76 1.73 1.88 0.13 0.00 0.00 175.17 178.47 1sj8 h TYR 570 N 8.71 0.00 0.13 -5.34 0.05 -1.95 -2.74 116.97 115.84 1sj8 h TYR 570 Ca -0.27 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.23 1sj8 h TYR 570 Cb 1.09 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.84 1sj8 h TYR 570 CO 0.68 0.00 -1.26 1.15 -1.05 0.00 0.00 178.16 177.68 1sj8 h THR 571 N 0.00 1.48 0.38 -2.88 2.02 -1.91 -1.90 112.91 110.10 1sj8 h THR 571 Ca 0.00 -3.04 -0.02 0.00 0.77 0.00 0.00 66.41 64.12 1sj8 h THR 571 Cb 0.76 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 1sj8 h THR 571 CO 0.00 0.89 -0.18 0.00 0.37 0.00 0.00 175.52 176.60 1sj8 h ALA 572 N 0.56 -0.51 -1.00 6.16 0.00 -1.96 0.16 119.26 122.67 1sj8 h ALA 572 Ca -0.14 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.68 1sj8 h ALA 572 Cb 1.98 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.89 1sj8 h ALA 572 CO 0.21 -0.63 0.63 -0.24 0.00 0.00 0.00 179.25 179.22 1sj8 h VAL 573 N -0.82 0.99 -0.50 0.00 3.04 -1.61 0.71 116.25 118.06 1sj8 h VAL 573 Ca -0.05 -0.37 -0.02 0.00 -1.01 0.00 0.00 66.70 65.26 1sj8 h VAL 573 Cb 0.53 -0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 29.62 1sj8 h VAL 573 CO 0.08 0.19 0.24 1.23 -1.01 0.00 0.00 177.57 178.31 1sj8 h GLY 574 N 1.07 0.75 0.95 3.17 0.00 -1.08 0.14 103.07 108.07 1sj8 h GLY 574 Ca 0.47 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1sj8 h GLY 574 CO -0.23 0.33 -0.21 0.00 0.00 0.00 0.00 176.54 176.44 1sj8 h ALA 576 N 0.74 1.39 -0.42 0.00 0.00 0.51 -1.91 119.26 119.57 1sj8 h ALA 576 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1sj8 h ALA 576 Cb 0.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1sj8 h ALA 576 CO 0.06 0.37 -0.15 -0.39 0.00 0.00 0.00 179.25 179.14 1sj8 h VAL 577 N 1.11 1.28 -0.45 0.00 -1.51 -0.48 -1.67 116.25 114.53 1sj8 h VAL 577 Ca 0.44 -1.27 0.01 0.00 -1.23 0.00 0.00 66.70 64.65 1sj8 h VAL 577 Cb 0.24 1.21 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 1sj8 h VAL 577 CO -0.19 0.43 0.30 0.74 -1.23 0.00 0.00 177.57 177.62 1sj8 h THR 578 N 0.67 1.10 -0.55 7.19 2.02 -1.12 -0.47 112.91 121.75 1sj8 h THR 578 Ca 0.10 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 1sj8 h THR 578 Cb 0.70 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1sj8 h THR 578 CO 0.05 0.11 -0.00 0.74 0.37 0.00 0.00 175.52 176.79 1sj8 h THR 579 N 0.59 1.26 -0.02 3.16 2.02 -0.60 0.13 112.91 119.44 1sj8 h THR 579 Ca 0.17 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 1sj8 h THR 579 Cb -0.03 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1sj8 h THR 579 CO -0.04 0.39 0.00 0.40 0.37 0.00 0.00 175.52 176.65 1sj8 h ILE 580 N 0.87 1.20 0.38 3.11 2.04 -0.72 -2.91 117.51 121.48 1sj8 h ILE 580 Ca 0.16 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1sj8 h ILE 580 Cb 0.51 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 1sj8 h ILE 580 CO 0.03 0.15 -0.49 -1.28 0.00 0.00 0.00 178.15 176.56 1sj8 h SER 581 N -0.21 -1.37 0.49 1.72 0.87 -0.95 -1.75 113.55 112.35 1sj8 h SER 581 Ca 0.01 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 1sj8 h SER 581 Cb 0.25 0.47 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1sj8 h SER 581 CO 0.00 -0.62 -0.46 0.77 -0.53 0.00 0.00 176.83 176.00 1sj8 h SER 582 N -0.90 0.00 0.01 6.23 4.64 -1.07 -1.25 113.55 121.20 1sj8 h SER 582 Ca -0.04 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1sj8 h SER 582 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1sj8 h SER 582 CO -0.13 0.46 -0.21 0.78 -0.87 0.00 0.00 176.83 176.86 1sj8 h ASN 583 N 0.00 0.36 -0.16 4.97 2.35 -1.40 -1.77 115.58 119.92 1sj8 h ASN 583 Ca -0.00 -0.10 -0.17 0.00 -0.55 0.00 0.00 56.30 55.47 1sj8 h ASN 583 Cb 0.83 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.10 1sj8 h ASN 583 CO 0.06 0.58 -0.52 0.25 -1.65 0.00 0.00 177.43 176.15 1sj8 h LEU 584 N 0.33 0.82 -1.10 1.61 7.12 -0.31 -1.35 115.31 122.43 1sj8 h LEU 584 Ca 0.06 -0.43 -0.03 0.00 0.13 0.00 0.00 57.88 57.61 1sj8 h LEU 584 Cb 0.57 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.43 1sj8 h LEU 584 CO 0.04 1.19 0.28 0.74 -0.13 0.00 0.00 178.44 180.56 1sj8 h THR 585 N 0.58 1.22 0.01 1.05 2.02 -1.30 -2.45 112.91 114.04 1sj8 h THR 585 Ca 0.02 -0.64 -0.22 0.00 0.77 0.00 0.00 66.41 66.34 1sj8 h THR 585 Cb 1.10 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1sj8 h THR 585 CO 0.11 0.26 -0.94 -0.33 0.37 0.00 0.00 175.52 174.99 1sj8 h GLU 586 N 0.91 0.27 0.00 6.66 5.08 -0.82 -3.16 114.58 123.52 1sj8 h GLU 586 Ca 0.22 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1sj8 h GLU 586 Cb 0.13 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1sj8 h GLU 586 CO -0.02 1.03 -0.43 1.98 -1.00 0.00 0.00 179.01 180.57 1sj8 h MET 587 N 0.15 0.00 -0.23 2.33 4.05 -1.17 -3.01 114.93 117.05 1sj8 h MET 587 Ca -0.06 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.26 1sj8 h MET 587 Cb 1.58 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.38 1sj8 h MET 587 CO 0.15 0.43 -0.25 0.77 0.23 0.00 0.00 176.91 178.24 1sj8 h SER 588 N 0.00 0.61 -0.07 1.39 0.02 -1.41 -0.51 113.55 113.58 1sj8 h SER 588 Ca -0.00 -0.49 0.03 0.00 -0.84 0.00 0.00 61.79 60.49 1sj8 h SER 588 Cb 0.84 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 1sj8 h SER 588 CO 0.06 0.97 -0.13 0.03 -1.14 0.00 0.00 176.83 176.62 1sj8 h ARG 589 N 0.26 -0.18 -0.89 3.45 -0.00 -1.50 -1.17 114.38 114.35 1sj8 h ARG 589 Ca 0.03 0.01 0.07 0.00 -0.50 0.00 0.00 59.98 59.59 1sj8 h ARG 589 Cb 0.81 0.04 -0.06 0.00 0.00 0.00 0.00 29.97 30.76 1sj8 h ARG 589 CO 0.06 -0.12 0.58 0.78 0.00 0.00 0.00 179.97 181.27 1sj8 h GLY 590 N -0.19 1.28 1.44 0.04 0.00 -1.39 -2.33 103.07 101.92 1sj8 h GLY 590 Ca 0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 47.33 46.77 1sj8 h GLY 590 CO -0.18 0.29 -0.88 -2.08 0.00 0.00 0.00 176.54 173.68 1sj8 h VAL 591 N 0.99 1.35 -0.85 4.60 2.07 -0.53 -1.00 116.25 122.89 1sj8 h VAL 591 Ca 0.38 -2.26 0.10 0.00 0.82 0.00 0.00 66.70 65.74 1sj8 h VAL 591 Cb 0.22 2.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.18 1sj8 h VAL 591 CO -0.14 0.69 0.49 0.11 0.02 0.00 0.00 177.57 178.73 1sj8 h LYS 592 N 0.32 0.78 0.10 1.57 1.57 -0.69 0.32 116.57 120.54 1sj8 h LYS 592 Ca -0.07 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1sj8 h LYS 592 Cb 1.51 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1sj8 h LYS 592 CO 0.16 0.51 -0.05 1.25 -0.57 0.00 0.00 179.45 180.76 1sj8 h LEU 593 N 0.80 -0.11 0.79 2.94 7.12 -1.37 -2.77 115.31 122.71 1sj8 h LEU 593 Ca 0.41 -0.47 -0.04 0.00 0.13 0.00 0.00 57.88 57.92 1sj8 h LEU 593 Cb 0.40 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1sj8 h LEU 593 CO -0.26 0.49 -0.41 0.25 -0.13 0.00 0.00 178.44 178.39 1sj8 h LEU 594 N -0.81 -0.98 -1.80 2.25 5.85 -0.88 -2.19 115.31 116.75 1sj8 h LEU 594 Ca -0.01 0.04 0.34 0.00 0.84 0.00 0.00 57.88 59.09 1sj8 h LEU 594 Cb 0.58 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 1sj8 h LEU 594 CO 0.02 -0.67 0.83 0.00 -0.34 0.00 0.00 178.44 178.28 1sj8 h ALA 595 N -0.90 2.90 -0.10 1.25 0.00 -0.46 0.30 119.26 122.25 1sj8 h ALA 595 Ca -0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1sj8 h ALA 595 Cb 0.85 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1sj8 h ALA 595 CO 0.16 -1.29 -0.59 0.00 0.00 0.00 0.00 179.25 177.53 1sj8 h ALA 596 N 1.46 0.82 -0.26 0.00 0.00 -1.12 -1.62 119.26 118.54 1sj8 h ALA 596 Ca 0.60 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1sj8 h ALA 596 Cb 2.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 1sj8 h ALA 596 CO -0.11 0.71 -0.32 -0.07 0.00 0.00 0.00 179.25 179.47 1sj8 h LEU 597 N 0.23 0.56 -0.98 0.00 -0.00 0.04 -0.35 115.31 114.82 1sj8 h LEU 597 Ca -0.00 -0.22 -0.10 0.00 -0.00 0.00 0.00 57.88 57.56 1sj8 h LEU 597 Cb 1.09 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 1sj8 h LEU 597 CO 0.10 0.85 -0.46 -0.07 -0.00 0.00 0.00 178.44 178.86 1sj8 h LEU 598 N 0.47 0.00 -0.28 1.67 4.07 -1.35 -0.22 115.31 119.67 1sj8 h LEU 598 Ca 0.06 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.89 1sj8 h LEU 598 Cb 0.78 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.51 1sj8 h LEU 598 CO 0.06 0.46 -0.60 -0.08 -1.08 0.00 0.00 178.44 177.20 1sj8 h GLU 599 N 0.00 0.00 0.00 1.13 4.57 -0.88 -2.33 114.58 117.07 1sj8 h GLU 599 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sj8 h GLU 599 Cb 0.90 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1sj8 h GLU 599 CO 0.06 0.60 0.00 -0.25 -1.18 0.00 0.00 179.01 178.24 1sj8 n ASP 600 N -3.37 0.00 -0.01 1.04 8.00 -0.18 -4.53 116.55 117.50 1sj8 n ASP 600 Ca 0.01 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 1sj8 n ASP 600 Cb 0.72 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.82 1sj8 n ASP 600 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1sj8 h GLU 601 N 0.00 -0.00 0.00 -1.24 4.39 -1.23 -3.36 114.58 113.13 1sj8 h GLU 601 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sj8 h GLU 601 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1sj8 h GLU 601 CO 0.00 -0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1sj8 n GLY 602 N -1.01 -1.25 0.00 -3.84 0.00 -1.14 -5.04 105.19 92.91 1sj8 n GLY 602 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1sj8 n GLY 602 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sj8 n GLY 603 N 2.35 0.20 3.55 -0.02 0.00 -0.89 -4.84 105.19 105.54 1sj8 n GLY 603 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1sj8 n GLY 603 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sj8 s ASN 604 N 0.65 5.31 -0.03 1.61 -0.87 -1.25 -4.25 114.94 116.12 1sj8 s ASN 604 Ca 0.00 -0.05 0.07 0.00 -1.57 0.00 0.00 52.86 51.31 1sj8 s ASN 604 Cb 0.00 -1.92 0.11 0.00 -0.02 0.00 0.00 41.25 39.42 1sj8 s ASN 604 CO 0.00 0.11 1.05 0.61 -2.57 0.00 0.00 177.10 176.30 1sj8 n GLY 605 N 3.97 1.63 0.17 0.66 0.00 -1.26 -4.67 105.19 105.69 1sj8 n GLY 605 Ca -0.17 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.52 1sj8 n GLY 605 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1sj8 h ARG 606 N 0.11 0.00 0.00 1.61 9.65 -1.94 -2.86 114.38 120.95 1sj8 h ARG 606 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1sj8 h ARG 606 Cb 1.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 1sj8 h ARG 606 CO 0.01 0.47 0.06 -2.30 2.80 0.00 0.00 179.97 181.01 1sj8 n PRO 607 N -3.87 0.00 0.04 0.20 -0.02 -1.26 -1.66 135.00 128.43 1sj8 n PRO 607 Ca -0.01 0.39 -0.22 0.00 -2.02 0.00 0.00 63.50 61.64 1sj8 n PRO 607 Cb 0.51 -1.56 -0.14 0.00 -0.02 0.00 0.00 33.50 32.28 1sj8 n PRO 607 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1sj8 h LEU 608 N 0.00 0.49 -1.22 2.45 5.85 -1.89 -1.36 115.31 119.63 1sj8 h LEU 608 Ca 0.00 -0.90 -0.07 0.00 0.84 0.00 0.00 57.88 57.75 1sj8 h LEU 608 Cb 0.12 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1sj8 h LEU 608 CO 0.00 1.63 -0.24 -0.07 -0.34 0.00 0.00 178.44 179.41 1sj8 h LEU 609 N -0.18 0.23 0.32 2.25 -0.00 -1.60 -1.36 115.31 114.96 1sj8 h LEU 609 Ca -0.28 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.52 1sj8 h LEU 609 Cb 1.85 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 42.46 1sj8 h LEU 609 CO 0.12 0.48 -0.15 -0.61 -0.00 0.00 0.00 178.44 178.27 1sj8 h GLN 610 N 0.21 -0.42 -0.37 1.13 4.15 -1.29 -1.54 115.11 116.98 1sj8 h GLN 610 Ca 0.03 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.54 1sj8 h GLN 610 Cb 0.55 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 1sj8 h GLN 610 CO 0.04 -0.15 0.07 0.00 -1.93 0.00 0.00 178.83 176.85 1sj8 h ALA 611 N -0.04 0.39 -0.92 3.38 0.00 -0.94 -2.42 119.26 118.72 1sj8 h ALA 611 Ca -0.04 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1sj8 h ALA 611 Cb 0.46 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1sj8 h ALA 611 CO 0.07 -0.34 0.59 0.00 0.00 0.00 0.00 179.25 179.57 1sj8 h ALA 612 N 1.28 1.67 -0.22 0.00 0.00 -1.09 -1.05 119.26 119.85 1sj8 h ALA 612 Ca 0.18 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1sj8 h ALA 612 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1sj8 h ALA 612 CO -0.24 0.12 -0.48 0.87 0.00 0.00 0.00 179.25 179.52 1sj8 h LYS 613 N 0.85 0.60 -0.35 0.00 1.57 -0.82 -2.00 116.57 116.42 1sj8 h LYS 613 Ca 0.44 -0.34 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1sj8 h LYS 613 Cb 0.52 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.77 1sj8 h LYS 613 CO -0.21 0.95 -0.36 0.78 -0.57 0.00 0.00 179.45 180.04 1sj8 h GLY 614 N 1.03 -0.39 0.91 3.86 0.00 -0.77 0.13 103.07 107.85 1sj8 h GLY 614 Ca 0.02 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 1sj8 h GLY 614 CO 0.09 -0.20 -0.08 -2.00 0.00 0.00 0.00 176.54 174.35 1sj8 h LEU 615 N -0.31 -0.18 0.18 3.11 5.85 -1.16 0.11 115.31 122.91 1sj8 h LEU 615 Ca 0.15 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1sj8 h LEU 615 Cb 0.56 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1sj8 h LEU 615 CO -0.51 -0.05 -0.48 0.00 -0.34 0.00 0.00 178.44 177.05 1sj8 h ALA 616 N 0.52 -0.99 -0.69 1.25 0.00 -1.28 0.98 119.26 119.05 1sj8 h ALA 616 Ca -0.02 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1sj8 h ALA 616 Cb 0.24 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 1sj8 h ALA 616 CO 0.04 -1.10 0.24 0.78 0.00 0.00 0.00 179.25 179.21 1sj8 h GLY 617 N -0.74 0.99 1.07 0.00 0.00 -0.70 0.54 103.07 104.22 1sj8 h GLY 617 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1sj8 h GLY 617 CO -0.23 -0.09 0.63 0.00 0.00 0.00 0.00 176.54 176.86 1sj8 h ALA 618 N 1.51 1.32 -0.02 3.60 0.00 0.11 -1.91 119.26 123.87 1sj8 h ALA 618 Ca 0.37 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 1sj8 h ALA 618 Cb 0.54 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sj8 h ALA 618 CO -0.39 0.63 -0.90 -0.39 0.00 0.00 0.00 179.25 178.20 1sj8 h VAL 619 N 1.29 1.39 -0.86 0.00 -1.51 0.59 -1.84 116.25 115.31 1sj8 h VAL 619 Ca 0.35 -2.38 0.22 0.00 -1.23 0.00 0.00 66.70 63.66 1sj8 h VAL 619 Cb -0.15 2.35 -0.13 0.00 -2.13 0.00 0.00 31.29 31.23 1sj8 h VAL 619 CO -0.08 0.71 0.28 0.28 -1.23 0.00 0.00 177.57 177.53 1sj8 h SER 620 N 0.25 0.10 0.60 4.19 0.02 -0.71 -0.44 113.55 117.57 1sj8 h SER 620 Ca -0.07 0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1sj8 h SER 620 Cb 1.53 0.21 -0.00 0.00 0.14 0.00 0.00 62.40 64.28 1sj8 h SER 620 CO 0.16 -0.09 -0.15 -0.33 -1.14 0.00 0.00 176.83 175.28 1sj8 h GLU 621 N 0.28 0.00 0.04 3.45 4.39 -0.85 -2.59 114.58 119.30 1sj8 h GLU 621 Ca 0.53 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.99 1sj8 h GLU 621 Cb 1.04 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1sj8 h GLU 621 CO -0.59 0.15 -1.04 1.25 -1.16 0.00 0.00 179.01 177.61 1sj8 h LEU 622 N 0.00 0.60 -0.44 1.33 5.85 -0.31 -3.08 115.31 119.26 1sj8 h LEU 622 Ca -0.00 -0.51 -0.07 0.00 0.84 0.00 0.00 57.88 58.14 1sj8 h LEU 622 Cb 0.49 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1sj8 h LEU 622 CO 0.02 1.33 0.00 -0.07 -0.34 0.00 0.00 178.44 179.38 1sj8 h LEU 623 N 0.23 0.77 -0.94 2.25 4.07 -1.16 -2.71 115.31 117.81 1sj8 h LEU 623 Ca -0.11 -0.31 0.05 0.00 0.08 0.00 0.00 57.88 57.60 1sj8 h LEU 623 Cb 1.70 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 43.17 1sj8 h LEU 623 CO 0.18 0.89 0.60 -0.09 -1.08 0.00 0.00 178.44 178.94 1sj8 h ARG 624 N 0.63 1.10 0.00 1.13 2.43 -1.48 -1.42 114.38 116.76 1sj8 h ARG 624 Ca 0.13 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1sj8 h ARG 624 Cb 0.49 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1sj8 h ARG 624 CO 0.02 0.73 0.00 0.77 -1.51 0.00 0.00 179.97 179.98 1sj8 h SER 625 N 1.14 0.00 1.72 -3.80 0.02 -1.42 -3.07 113.55 108.13 1sj8 h SER 625 Ca 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1sj8 h SER 625 Cb 0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1sj8 h SER 625 CO -0.15 0.00 -0.01 0.00 -1.14 0.00 0.00 176.83 175.53 1sj8 h ALA 626 N 2.08 0.99 -1.29 3.77 0.00 -0.94 -3.44 119.26 120.44 1sj8 h ALA 626 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1sj8 h ALA 626 Cb 0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1sj8 h ALA 626 CO 0.00 0.01 1.36 1.04 0.00 0.00 0.00 179.25 181.66 1sj8 n GLN 627 N -3.10 1.26 0.15 0.00 1.13 -1.16 -4.82 117.38 110.84 1sj8 n GLN 627 Ca 0.03 0.37 0.11 0.00 -1.94 0.00 0.00 57.00 55.57 1sj8 n GLN 627 Cb 0.47 -2.52 0.55 0.00 0.11 0.00 0.00 30.24 28.86 1sj8 n GLN 627 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1sj8 n PRO 628 N 7.90 0.14 -1.28 -1.09 -0.04 -1.26 -1.95 135.00 137.43 1sj8 n PRO 628 Ca 0.37 0.60 -0.30 0.00 -0.04 0.00 0.00 63.50 64.14 1sj8 n PRO 628 Cb 0.25 -1.93 0.13 0.00 -0.04 0.00 0.00 33.50 31.90 1sj8 n PRO 628 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sj8 n ALA 629 N -1.77 6.00 -2.45 0.55 0.00 -1.26 -4.95 120.51 116.63 1sj8 n ALA 629 Ca -0.01 -3.20 -0.30 0.00 0.00 0.00 0.00 53.44 49.93 1sj8 n ALA 629 Cb 0.06 -1.63 -0.13 0.00 0.00 0.00 0.00 19.45 17.76 1sj8 n ALA 629 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sj8 s SER 630 N -1.57 3.72 0.10 0.00 0.15 -0.82 -5.11 113.70 110.16 1sj8 s SER 630 Ca 0.61 -0.50 -0.18 0.00 0.70 0.00 0.00 55.95 56.58 1sj8 s SER 630 Cb 0.49 -0.53 -0.07 0.00 -1.71 0.00 0.00 66.02 64.20 1sj8 s SER 630 CO 0.04 0.23 0.58 0.00 1.20 0.00 0.00 173.24 175.29 1sj8 s ALA 631 N -0.97 3.58 0.00 5.45 0.00 -1.26 -5.04 121.76 123.52 1sj8 s ALA 631 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1sj8 s ALA 631 Cb -0.10 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1sj8 s ALA 631 CO 0.06 0.41 0.00 0.39 0.00 0.00 0.00 175.76 176.62 1sj8 n GLU 632 N 1.46 0.00 0.00 0.00 1.02 -1.26 -5.02 120.64 116.84 1sj8 n GLU 632 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1sj8 n GLU 632 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1sj8 n GLU 632 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1sj8 n PRO 633 N -2.49 2.98 -0.33 3.49 -0.02 -1.26 -4.87 135.00 132.50 1sj8 n PRO 633 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1sj8 n PRO 633 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 33.55 1sj8 n PRO 633 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1sj8 n ARG 634 N 0.00 -0.16 0.18 -0.52 3.00 -1.26 -0.05 116.66 117.86 1sj8 n ARG 634 Ca 0.00 1.35 0.16 0.00 -0.00 0.00 0.00 57.85 59.37 1sj8 n ARG 634 Cb 0.00 -2.01 0.63 0.00 0.00 0.00 0.00 32.46 31.08 1sj8 n ARG 634 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1sj8 h GLN 635 N 0.00 0.00 -0.23 -0.14 5.75 -1.99 0.27 115.11 118.77 1sj8 h GLN 635 Ca 0.35 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.65 1sj8 h GLN 635 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1sj8 h GLN 635 CO -0.88 0.00 -0.64 -0.97 -2.65 0.00 0.00 178.83 173.69 1sj8 h ASN 636 N 0.00 0.95 -0.19 -0.69 -0.73 -0.80 -1.85 115.58 112.26 1sj8 h ASN 636 Ca 0.13 -0.55 -0.13 0.00 1.87 0.00 0.00 56.30 57.62 1sj8 h ASN 636 Cb 1.29 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.59 1sj8 h ASN 636 CO -0.00 1.35 -0.32 0.25 -0.37 0.00 0.00 177.43 178.34 1sj8 h LEU 637 N 0.61 0.73 0.00 0.34 6.46 -0.60 -3.03 115.31 119.82 1sj8 h LEU 637 Ca -0.01 -0.29 0.02 0.00 -0.12 0.00 0.00 57.88 57.48 1sj8 h LEU 637 Cb 1.25 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.95 1sj8 h LEU 637 CO 0.14 0.99 -0.14 -0.07 -0.62 0.00 0.00 178.44 178.74 1sj8 h LEU 638 N 0.59 -0.40 0.17 2.25 3.38 -1.29 -1.11 115.31 118.91 1sj8 h LEU 638 Ca 0.07 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1sj8 h LEU 638 Cb 0.83 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1sj8 h LEU 638 CO 0.07 -0.19 -0.13 -0.61 0.09 0.00 0.00 178.44 177.67 1sj8 h GLN 639 N -0.23 -0.30 -0.99 1.13 4.15 -1.41 -2.18 115.11 115.28 1sj8 h GLN 639 Ca 0.05 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.59 1sj8 h GLN 639 Cb 0.29 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 27.97 1sj8 h GLN 639 CO -0.13 -0.20 0.63 0.00 -1.93 0.00 0.00 178.83 177.20 1sj8 h ALA 640 N 0.50 1.50 -0.18 3.38 0.00 -1.34 0.94 119.26 124.05 1sj8 h ALA 640 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sj8 h ALA 640 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sj8 h ALA 640 CO -0.01 0.29 -0.03 0.00 0.00 0.00 0.00 179.25 179.51 1sj8 h ALA 641 N 1.51 0.25 -0.15 0.00 0.00 -0.96 -2.80 119.26 117.11 1sj8 h ALA 641 Ca 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1sj8 h ALA 641 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1sj8 h ALA 641 CO -0.22 -0.00 0.04 0.78 0.00 0.00 0.00 179.25 179.84 1sj8 h GLY 642 N 0.07 0.23 2.00 0.00 0.00 -0.72 0.18 103.07 104.82 1sj8 h GLY 642 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1sj8 h GLY 642 CO 0.01 0.09 -0.04 3.43 0.00 0.00 0.00 176.54 180.04 1sj8 h ASN 643 N 0.21 0.00 0.32 0.19 4.21 -0.59 -2.17 115.58 117.76 1sj8 h ASN 643 Ca 0.05 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.27 1sj8 h ASN 643 Cb 0.09 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.31 1sj8 h ASN 643 CO -0.00 0.04 -1.28 0.58 -1.29 0.00 0.00 177.43 175.48 1sj8 h VAL 644 N 0.00 1.35 -0.57 2.81 2.07 -0.43 -1.67 116.25 119.82 1sj8 h VAL 644 Ca -0.00 -2.69 -0.01 0.00 0.82 0.00 0.00 66.70 64.82 1sj8 h VAL 644 Cb 0.17 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1sj8 h VAL 644 CO 0.01 0.80 0.33 1.23 0.02 0.00 0.00 177.57 179.96 1sj8 h GLY 645 N 0.71 0.83 0.96 2.17 0.00 -1.03 -0.75 103.07 105.96 1sj8 h GLY 645 Ca -0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 1sj8 h GLY 645 CO 0.23 0.35 -0.28 -1.61 0.00 0.00 0.00 176.54 175.23 1sj8 h GLN 646 N 0.76 -0.76 -0.20 4.80 4.15 -1.18 0.86 115.11 123.55 1sj8 h GLN 646 Ca 0.20 0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.73 1sj8 h GLN 646 Cb 0.01 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1sj8 h GLN 646 CO -0.04 -0.48 0.14 0.00 -1.93 0.00 0.00 178.83 176.53 1sj8 h ALA 647 N -0.44 2.15 -0.38 3.38 0.00 -1.29 -0.29 119.26 122.39 1sj8 h ALA 647 Ca -0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1sj8 h ALA 647 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1sj8 h ALA 647 CO 0.13 -0.21 -0.34 0.77 0.00 0.00 0.00 179.25 179.61 1sj8 h SER 648 N 0.03 0.91 0.50 0.00 0.02 0.23 -2.11 113.55 113.14 1sj8 h SER 648 Ca 0.09 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1sj8 h SER 648 Cb 0.34 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1sj8 h SER 648 CO -0.00 1.16 -0.27 1.23 -1.14 0.00 0.00 176.83 177.80 1sj8 h GLY 649 N 0.87 -0.75 2.00 -3.77 0.00 0.78 -0.98 103.07 101.22 1sj8 h GLY 649 Ca 0.07 0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 1sj8 h GLY 649 CO 0.08 -0.28 -0.02 0.83 0.00 0.00 0.00 176.54 177.16 1sj8 h GLU 650 N -0.72 0.00 0.17 4.80 5.08 -1.29 -1.08 114.58 121.53 1sj8 h GLU 650 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1sj8 h GLU 650 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1sj8 h GLU 650 CO 0.09 0.02 -0.08 1.25 -1.00 0.00 0.00 179.01 179.29 1sj8 h LEU 651 N 0.00 -0.19 -2.78 1.33 5.85 -0.95 -2.96 115.31 115.61 1sj8 h LEU 651 Ca -0.00 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1sj8 h LEU 651 Cb 0.04 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1sj8 h LEU 651 CO 0.00 0.37 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.40 1sj8 h LEU 652 N -0.91 0.00 -0.26 2.25 3.38 -0.96 0.23 115.31 119.04 1sj8 h LEU 652 Ca -0.02 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 1sj8 h LEU 652 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1sj8 h LEU 652 CO 0.04 0.00 -0.75 -0.61 0.09 0.00 0.00 178.44 177.21 1sj8 h GLN 653 N 0.00 0.65 0.00 1.13 4.15 -1.25 0.36 115.11 120.15 1sj8 h GLN 653 Ca -0.00 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1sj8 h GLN 653 Cb 0.03 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1sj8 h GLN 653 CO 0.00 1.14 0.00 1.04 -1.93 0.00 0.00 178.83 179.09 1sj8 n GLN 654 N -3.90 0.00 0.00 1.69 1.13 0.04 -1.98 117.38 114.36 1sj8 n GLN 654 Ca -0.06 0.30 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 1sj8 n GLN 654 Cb 0.73 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.79 1sj8 n GLN 654 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1sj8 n ILE 655 N -1.38 0.00 -4.06 5.09 -5.35 -1.04 -4.74 119.36 107.87 1sj8 n ILE 655 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 1sj8 n ILE 655 Cb 0.00 -0.49 -0.04 0.00 -1.74 0.00 0.00 39.64 37.37 1sj8 n ILE 655 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sj8 n GLY 656 N -0.46 -0.44 0.84 3.28 0.00 -0.12 -4.84 105.19 103.46 1sj8 n GLY 656 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1sj8 n GLY 656 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sj8 n GLU 657 N -3.95 2.10 -0.46 1.61 4.07 0.11 -4.92 120.64 119.18 1sj8 n GLU 657 Ca 0.08 -1.66 -0.10 0.00 -0.06 0.00 0.00 57.16 55.41 1sj8 n GLU 657 Cb 0.48 -1.43 -0.04 0.00 -0.06 0.00 0.00 31.44 30.39 1sj8 n GLU 657 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1sj8 n SER 658 N 0.87 2.84 0.00 4.31 7.64 -1.24 -4.96 113.62 123.09 1sj8 n SER 658 Ca 0.17 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.98 1sj8 n SER 658 Cb 0.45 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1sj8 n SER 658 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1sj8 n ASP 659 N 3.66 0.00 -4.06 6.43 10.43 -1.26 -4.16 116.55 127.59 1sj8 n ASP 659 Ca 0.25 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.26 1sj8 n ASP 659 Cb 0.22 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.09 1sj8 n ASP 659 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1sj8 s THR 660 N -1.24 3.72 0.00 -3.53 2.01 -1.26 -4.91 115.64 110.43 1sj8 s THR 660 Ca 0.00 -3.53 0.00 0.00 0.31 0.00 0.00 61.69 58.47 1sj8 s THR 660 Cb 0.00 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1sj8 s THR 660 CO 0.00 -0.97 0.00 -0.67 -0.69 0.00 0.00 174.62 172.29 1sj8 n ASP 661 N 2.79 0.00 -4.22 3.53 2.03 -1.26 -4.59 116.55 114.83 1sj8 n ASP 661 Ca 0.14 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.11 1sj8 n ASP 661 Cb 0.37 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.88 1sj8 n ASP 661 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1sj8 n PRO 662 N 0.32 -0.83 0.00 -0.67 -0.04 -1.26 -1.56 135.00 130.96 1sj8 n PRO 662 Ca 0.00 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1sj8 n PRO 662 Cb 0.00 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 1sj8 n PRO 662 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1sj8 n HIS 663 N -3.85 0.00 0.29 0.54 -0.00 -1.26 -4.32 115.22 106.61 1sj8 n HIS 663 Ca 0.01 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.36 1sj8 n HIS 663 Cb 0.62 -0.10 0.87 0.00 -0.12 0.00 0.00 29.99 31.26 1sj8 n HIS 663 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1sj8 h PHE 664 N 0.00 0.00 -0.26 1.57 3.57 -1.55 0.59 116.94 120.87 1sj8 h PHE 664 Ca 0.00 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1sj8 h PHE 664 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1sj8 h PHE 664 CO 0.00 0.05 -0.40 1.96 -2.23 0.00 0.00 178.31 177.69 1sj8 h GLN 665 N 0.00 0.73 0.00 1.11 4.20 -1.75 -2.49 115.11 116.91 1sj8 h GLN 665 Ca -0.00 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 1sj8 h GLN 665 Cb 0.27 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1sj8 h GLN 665 CO 0.01 1.06 -0.01 0.22 -0.67 0.00 0.00 178.83 179.44 1sj8 h ASP 666 N 0.46 0.00 0.43 1.46 1.82 -0.34 0.26 116.42 120.51 1sj8 h ASP 666 Ca 0.02 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.50 1sj8 h ASP 666 Cb 1.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 1sj8 h ASP 666 CO 0.09 0.01 -0.70 1.62 -1.61 0.00 0.00 179.24 178.65 1sj8 h VAL 667 N 0.00 1.42 -0.29 2.25 3.04 -0.20 -0.49 116.25 121.99 1sj8 h VAL 667 Ca -0.00 -2.20 -0.09 0.00 -1.01 0.00 0.00 66.70 63.40 1sj8 h VAL 667 Cb 0.53 2.16 -0.01 0.00 -2.01 0.00 0.00 31.29 31.96 1sj8 h VAL 667 CO 0.00 0.65 -0.16 -0.07 -1.01 0.00 0.00 177.57 176.98 1sj8 h LEU 668 N 0.16 0.63 -0.61 3.16 4.07 -0.43 -0.55 115.31 121.74 1sj8 h LEU 668 Ca -0.02 -0.42 -0.08 0.00 0.08 0.00 0.00 57.88 57.44 1sj8 h LEU 668 Cb 1.25 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1sj8 h LEU 668 CO 0.11 0.91 0.06 0.24 -1.08 0.00 0.00 178.44 178.68 1sj8 h MET 669 N 0.36 1.03 0.00 1.13 2.86 -0.57 0.55 114.93 120.30 1sj8 h MET 669 Ca 0.06 -0.30 -0.18 0.00 -2.06 0.00 0.00 59.70 57.22 1sj8 h MET 669 Cb 0.68 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1sj8 h MET 669 CO 0.05 0.98 -0.83 0.37 1.06 0.00 0.00 176.91 178.54 1sj8 h GLN 670 N 0.93 0.09 -0.00 1.72 5.75 -0.96 -2.76 115.11 119.88 1sj8 h GLN 670 Ca 0.18 -0.10 -0.13 0.00 -0.15 0.00 0.00 58.65 58.45 1sj8 h GLN 670 Cb 0.48 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1sj8 h GLN 670 CO 0.02 0.87 -0.63 1.25 -2.65 0.00 0.00 178.83 177.69 1sj8 h LEU 671 N 0.05 0.00 0.00 -2.39 5.85 -0.86 -1.29 115.31 116.67 1sj8 h LEU 671 Ca -0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1sj8 h LEU 671 Cb 1.46 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1sj8 h LEU 671 CO 0.12 0.63 -0.15 0.00 -0.34 0.00 0.00 178.44 178.70 1sj8 h ALA 672 N 1.37 0.90 0.00 1.25 0.00 -0.90 -3.18 119.26 118.70 1sj8 h ALA 672 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sj8 h ALA 672 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1sj8 h ALA 672 CO 0.08 0.00 -0.66 -0.91 0.00 0.00 0.00 179.25 177.76 1sj8 h ASN 673 N 0.00 0.00 1.37 0.00 2.35 -0.96 -3.14 115.58 115.19 1sj8 h ASN 673 Ca 0.00 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1sj8 h ASN 673 Cb 0.77 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 1sj8 h ASN 673 CO 0.00 0.10 -0.11 0.00 -1.65 0.00 0.00 177.43 175.77 1sj8 h ALA 674 N 2.47 0.97 0.00 -0.83 0.00 -1.33 -2.30 119.26 118.23 1sj8 h ALA 674 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1sj8 h ALA 674 Cb 0.77 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1sj8 h ALA 674 CO 0.00 0.14 -0.66 0.28 0.00 0.00 0.00 179.25 179.01 1sj8 h VAL 675 N 0.00 1.41 -0.65 0.00 2.07 -1.60 -2.49 116.25 114.99 1sj8 h VAL 675 Ca -0.00 -2.11 -0.01 0.00 0.82 0.00 0.00 66.70 65.40 1sj8 h VAL 675 Cb 0.83 2.58 -0.03 0.00 -1.52 0.00 0.00 31.29 33.15 1sj8 h VAL 675 CO 0.01 0.62 0.36 0.00 0.02 0.00 0.00 177.57 178.58 1sj8 h ALA 676 N 0.32 0.84 -0.09 1.67 0.00 -1.44 -1.31 119.26 119.24 1sj8 h ALA 676 Ca -0.08 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1sj8 h ALA 676 Cb 1.36 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1sj8 h ALA 676 CO 0.13 0.35 -0.87 0.66 0.00 0.00 0.00 179.25 179.52 1sj8 h SER 677 N 0.89 0.93 -0.85 0.00 4.64 -1.54 -0.58 113.55 117.04 1sj8 h SER 677 Ca 0.23 -0.67 0.15 0.00 -0.47 0.00 0.00 61.79 61.03 1sj8 h SER 677 Cb 0.04 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 61.79 1sj8 h SER 677 CO -0.04 1.46 0.55 0.00 -0.87 0.00 0.00 176.83 177.93 1sj8 h ALA 678 N 0.49 1.96 -0.34 5.18 0.00 -1.39 -1.62 119.26 123.54 1sj8 h ALA 678 Ca -0.08 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1sj8 h ALA 678 Cb 1.51 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1sj8 h ALA 678 CO 0.18 -0.20 -0.40 0.00 0.00 0.00 0.00 179.25 178.83 1sj8 h ALA 679 N 1.62 0.50 -0.45 0.00 0.00 -0.86 -2.17 119.26 117.90 1sj8 h ALA 679 Ca 0.43 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1sj8 h ALA 679 Cb 0.81 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1sj8 h ALA 679 CO -0.18 0.62 0.15 0.00 0.00 0.00 0.00 179.25 179.84 1sj8 h ALA 680 N 0.73 1.43 -0.01 0.00 0.00 -0.21 0.77 119.26 121.97 1sj8 h ALA 680 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sj8 h ALA 680 Cb 1.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sj8 h ALA 680 CO 0.10 0.43 0.01 0.00 0.00 0.00 0.00 179.25 179.78 1sj8 h ALA 681 N 1.53 0.01 0.48 0.00 0.00 -1.33 0.17 119.26 120.12 1sj8 h ALA 681 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1sj8 h ALA 681 Cb 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sj8 h ALA 681 CO -0.01 -0.46 -0.26 1.25 0.00 0.00 0.00 179.25 179.77 1sj8 h LEU 682 N -0.04 -0.63 -1.48 0.00 5.85 -0.22 0.21 115.31 118.99 1sj8 h LEU 682 Ca 0.00 0.03 0.23 0.00 0.84 0.00 0.00 57.88 58.99 1sj8 h LEU 682 Cb 0.05 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1sj8 h LEU 682 CO -0.00 -0.42 0.63 0.58 -0.34 0.00 0.00 178.44 178.89 1sj8 h VAL 683 N -0.69 0.61 0.23 1.05 2.07 0.50 -0.97 116.25 119.06 1sj8 h VAL 683 Ca -0.06 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1sj8 h VAL 683 Cb 0.54 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1sj8 h VAL 683 CO 0.08 0.07 -0.11 0.25 0.02 0.00 0.00 177.57 177.88 1sj8 h LEU 684 N 0.38 -0.26 -0.88 2.57 6.46 0.13 -2.64 115.31 121.07 1sj8 h LEU 684 Ca 0.52 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.31 1sj8 h LEU 684 Cb 1.34 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.33 1sj8 h LEU 684 CO -0.21 -0.15 0.76 0.11 -0.62 0.00 0.00 178.44 178.33 1sj8 h LYS 685 N -0.38 0.00 0.00 1.25 1.57 0.13 1.70 116.57 120.84 1sj8 h LYS 685 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1sj8 h LYS 685 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1sj8 h LYS 685 CO 0.05 0.00 -0.65 0.00 -0.57 0.00 0.00 179.45 178.28 1sj8 h ALA 686 N 0.58 0.58 -0.44 3.86 0.00 -0.86 -3.11 119.26 119.87 1sj8 h ALA 686 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1sj8 h ALA 686 Cb 1.56 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1sj8 h ALA 686 CO -0.00 0.00 -0.04 -0.22 0.00 0.00 0.00 179.25 178.99 1sj8 h LYS 687 N 0.00 0.80 0.87 0.00 3.64 0.29 -1.52 116.57 120.65 1sj8 h LYS 687 Ca 0.00 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 1sj8 h LYS 687 Cb 0.77 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1sj8 h LYS 687 CO 0.00 0.89 -0.42 0.66 -2.27 0.00 0.00 179.45 178.31 1sj8 h SER 688 N 0.64 -0.99 -0.55 4.20 4.64 -1.46 0.66 113.55 120.68 1sj8 h SER 688 Ca 0.12 0.03 0.11 0.00 -0.47 0.00 0.00 61.79 61.58 1sj8 h SER 688 Cb 0.55 0.26 -0.11 0.00 -0.31 0.00 0.00 62.40 62.79 1sj8 h SER 688 CO 0.03 -0.65 -0.18 0.58 -0.87 0.00 0.00 176.83 175.74 1sj8 h VAL 689 N -1.28 0.38 -0.13 0.95 2.07 -1.56 0.45 116.25 117.13 1sj8 h VAL 689 Ca -0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1sj8 h VAL 689 Cb 0.90 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1sj8 h VAL 689 CO 0.20 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1sj8 n ALA 690 N -2.99 2.51 -0.07 1.67 0.00 -0.57 0.80 120.51 121.87 1sj8 n ALA 690 Ca 0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 1sj8 n ALA 690 Cb 0.31 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 18.79 1sj8 n ALA 690 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sj8 n GLN 691 N 0.61 1.55 0.00 0.00 6.02 0.23 -3.33 117.38 122.46 1sj8 n GLN 691 Ca 0.17 -1.28 0.00 0.00 -0.01 0.00 0.00 57.00 55.88 1sj8 n GLN 691 Cb 0.42 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1sj8 n GLN 691 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1sj8 n ARG 692 N -0.10 1.13 -1.73 -1.09 1.74 0.24 -4.98 116.66 111.87 1sj8 n ARG 692 Ca 0.25 -0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 56.05 1sj8 n ARG 692 Cb 0.93 -0.80 -0.03 0.00 -1.02 0.00 0.00 32.46 31.55 1sj8 n ARG 692 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sj8 s THR 693 N -0.43 3.15 -0.21 0.55 2.01 -0.97 -4.69 115.64 115.04 1sj8 s THR 693 Ca 0.00 0.13 -0.19 0.00 0.31 0.00 0.00 61.69 61.94 1sj8 s THR 693 Cb 0.00 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.18 1sj8 s THR 693 CO 0.00 -0.19 0.84 -1.84 -0.69 0.00 0.00 174.62 172.74 1sj8 n GLU 694 N 8.80 0.00 -0.30 4.92 0.28 -1.26 -3.10 120.64 129.97 1sj8 n GLU 694 Ca 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 1sj8 n GLU 694 Cb 0.49 -0.64 0.00 0.00 1.43 0.00 0.00 31.44 32.72 1sj8 n GLU 694 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1sj8 n ASP 695 N 2.71 0.00 0.00 -1.84 -0.08 -1.26 -4.67 116.55 111.41 1sj8 n ASP 695 Ca 0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 1sj8 n ASP 695 Cb -0.02 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.44 1sj8 n ASP 695 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1sj8 n SER 696 N 0.33 -0.42 -0.76 1.67 2.88 -1.18 -4.96 113.62 111.18 1sj8 n SER 696 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1sj8 n SER 696 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1sj8 n SER 696 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sj8 n GLY 697 N 0.00 -3.21 3.59 0.46 0.00 -1.26 -3.83 105.19 100.94 1sj8 n GLY 697 Ca 0.00 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 1sj8 n GLY 697 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sj8 s LEU 698 N -5.03 3.44 0.00 0.99 1.43 -1.26 -3.76 118.68 114.48 1sj8 s LEU 698 Ca 0.00 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1sj8 s LEU 698 Cb 0.00 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1sj8 s LEU 698 CO 0.00 -2.11 0.00 1.67 0.23 0.00 0.00 176.35 176.14 1sj8 n GLN 699 N 8.77 0.00 0.01 1.70 7.27 -1.25 -3.45 117.38 130.43 1sj8 n GLN 699 Ca 0.29 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.49 1sj8 n GLN 699 Cb 0.48 0.00 0.46 0.00 2.41 0.00 0.00 30.24 33.58 1sj8 n GLN 699 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1sj8 n THR 700 N 0.00 0.07 -0.02 1.69 5.66 -1.25 -2.63 114.28 117.81 1sj8 n THR 700 Ca 0.00 -0.04 -0.15 0.00 -3.05 0.00 0.00 64.05 60.81 1sj8 n THR 700 Cb 0.00 -0.24 -0.14 0.00 -1.55 0.00 0.00 70.33 68.40 1sj8 n THR 700 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1sj8 n GLN 701 N -1.60 0.69 -0.32 1.09 -0.06 -1.25 -2.20 117.38 113.74 1sj8 n GLN 701 Ca 0.06 0.26 -0.04 0.00 -2.00 0.00 0.00 57.00 55.29 1sj8 n GLN 701 Cb 0.35 -1.74 0.08 0.00 -4.06 0.00 0.00 30.24 24.88 1sj8 n GLN 701 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1sj8 h VAL 702 N 0.03 1.24 -0.05 1.69 2.07 -1.58 0.19 116.25 119.84 1sj8 h VAL 702 Ca -0.37 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1sj8 h VAL 702 Cb 2.03 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1sj8 h VAL 702 CO 0.08 0.26 0.01 0.16 0.02 0.00 0.00 177.57 178.09 1sj8 h ILE 703 N 1.20 1.21 -0.90 4.57 3.07 -1.62 -0.91 117.51 124.12 1sj8 h ILE 703 Ca 0.31 -0.64 0.15 0.00 1.55 0.00 0.00 64.86 66.23 1sj8 h ILE 703 Cb -0.04 1.54 -0.07 0.00 -0.27 0.00 0.00 36.82 37.98 1sj8 h ILE 703 CO -0.06 0.18 0.58 0.00 -1.05 0.00 0.00 178.15 177.80 1sj8 h ALA 704 N 0.77 1.83 0.00 0.16 0.00 -1.37 -0.85 119.26 119.80 1sj8 h ALA 704 Ca 0.02 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1sj8 h ALA 704 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sj8 h ALA 704 CO 0.00 -0.08 -0.95 0.00 0.00 0.00 0.00 179.25 178.22 1sj8 h ALA 705 N 1.60 0.35 -0.34 0.00 0.00 -0.48 -2.77 119.26 117.62 1sj8 h ALA 705 Ca 0.46 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1sj8 h ALA 705 Cb 0.75 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1sj8 h ALA 705 CO -0.22 0.82 -0.20 0.00 0.00 0.00 0.00 179.25 179.65 1sj8 h ALA 706 N 0.73 1.02 -0.27 0.00 0.00 -0.22 -1.26 119.26 119.25 1sj8 h ALA 706 Ca -0.08 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1sj8 h ALA 706 Cb 1.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1sj8 h ALA 706 CO 0.16 0.59 -0.17 1.15 0.00 0.00 0.00 179.25 180.98 1sj8 h THR 707 N 0.57 1.24 -0.02 0.00 2.02 -1.20 -2.40 112.91 113.12 1sj8 h THR 707 Ca 0.09 -1.10 -0.23 0.00 0.77 0.00 0.00 66.41 65.94 1sj8 h THR 707 Cb 0.65 1.22 0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1sj8 h THR 707 CO 0.05 0.35 -0.92 -0.61 0.37 0.00 0.00 175.52 174.76 1sj8 h GLN 708 N 0.44 0.50 -0.22 6.66 5.75 -1.11 -1.90 115.11 125.22 1sj8 h GLN 708 Ca 0.08 -0.51 0.06 0.00 -0.15 0.00 0.00 58.65 58.13 1sj8 h GLN 708 Cb 0.55 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.18 1sj8 h GLN 708 CO 0.04 1.14 -0.20 0.00 -2.65 0.00 0.00 178.83 177.16 1sj8 h ALA 710 N 0.88 0.49 -0.06 0.00 0.00 -1.27 0.75 119.26 120.05 1sj8 h ALA 710 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1sj8 h ALA 710 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sj8 h ALA 710 CO -0.34 -0.06 -0.43 1.25 0.00 0.00 0.00 179.25 179.67 1sj8 h LEU 711 N 0.51 0.13 -0.12 0.00 5.85 -1.06 0.69 115.31 121.31 1sj8 h LEU 711 Ca 0.15 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.58 1sj8 h LEU 711 Cb -0.04 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1sj8 h LEU 711 CO -0.04 0.54 -1.01 0.77 -0.34 0.00 0.00 178.44 178.37 1sj8 h SER 712 N 0.10 0.47 -0.28 1.25 4.64 0.06 -1.98 113.55 117.80 1sj8 h SER 712 Ca 0.01 -0.41 -0.05 0.00 -0.47 0.00 0.00 61.79 60.87 1sj8 h SER 712 Cb 0.80 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1sj8 h SER 712 CO 0.06 1.23 -0.03 0.74 -0.87 0.00 0.00 176.83 177.96 1sj8 h THR 713 N 0.18 1.27 -0.28 2.95 2.02 -0.15 -1.96 112.91 116.93 1sj8 h THR 713 Ca -0.09 -1.02 0.08 0.00 0.77 0.00 0.00 66.41 66.16 1sj8 h THR 713 Cb 1.66 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 1sj8 h THR 713 CO 0.17 0.32 0.22 -1.28 0.37 0.00 0.00 175.52 175.33 1sj8 h SER 714 N 0.30 0.00 0.51 4.18 0.87 0.42 -0.74 113.55 119.09 1sj8 h SER 714 Ca 0.08 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.47 1sj8 h SER 714 Cb 0.49 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1sj8 h SER 714 CO 0.02 0.00 -0.74 -0.61 -0.53 0.00 0.00 176.83 174.97 1sj8 h GLN 715 N 0.00 0.18 -0.53 2.24 4.15 -0.61 -3.06 115.11 117.49 1sj8 h GLN 715 Ca 0.13 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1sj8 h GLN 715 Cb 0.58 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 1sj8 h GLN 715 CO -0.00 0.84 0.26 1.25 -1.93 0.00 0.00 178.83 179.25 1sj8 h LEU 716 N 0.12 0.68 -0.26 -2.39 5.85 -0.68 -1.77 115.31 116.87 1sj8 h LEU 716 Ca -0.02 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1sj8 h LEU 716 Cb 1.30 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1sj8 h LEU 716 CO 0.11 0.61 0.00 0.58 -0.34 0.00 0.00 178.44 179.41 1sj8 h VAL 717 N 0.70 0.82 -0.25 1.05 2.07 -1.49 0.11 116.25 119.27 1sj8 h VAL 717 Ca 0.18 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1sj8 h VAL 717 Cb 0.10 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1sj8 h VAL 717 CO -0.02 0.02 0.15 0.00 0.02 0.00 0.00 177.57 177.73 1sj8 h ALA 718 N 1.22 0.32 -0.62 1.67 0.00 -1.42 -2.11 119.26 118.32 1sj8 h ALA 718 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sj8 h ALA 718 Cb 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1sj8 h ALA 718 CO -0.20 -0.17 0.39 0.00 0.00 0.00 0.00 179.25 179.27 1sj8 h THR 720 N 0.83 1.03 -0.86 0.00 2.02 -0.66 0.32 112.91 115.59 1sj8 h THR 720 Ca 0.22 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1sj8 h THR 720 Cb -0.06 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 1sj8 h THR 720 CO -0.05 0.11 0.57 0.50 0.37 0.00 0.00 175.52 177.02 1sj8 h LYS 721 N 0.60 1.11 -0.03 6.66 3.11 -1.21 0.11 116.57 126.93 1sj8 h LYS 721 Ca 0.22 -0.07 -0.19 0.00 -2.81 0.00 0.00 60.65 57.80 1sj8 h LYS 721 Cb 0.06 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.03 1sj8 h LYS 721 CO -0.11 0.73 -0.82 0.28 -2.81 0.00 0.00 179.45 176.73 1sj8 h VAL 722 N 1.14 1.43 0.00 2.00 2.07 -0.69 -3.28 116.25 118.93 1sj8 h VAL 722 Ca 0.32 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1sj8 h VAL 722 Cb -0.10 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1sj8 h VAL 722 CO -0.08 0.70 -1.20 1.33 0.02 0.00 0.00 177.57 178.34 1sj8 n VAL 723 N -3.75 0.03 -0.09 2.57 0.24 0.04 -4.43 118.33 112.95 1sj8 n VAL 723 Ca -0.04 -0.16 -0.06 0.00 -2.04 0.00 0.00 64.34 62.04 1sj8 n VAL 723 Cb 0.76 0.59 -0.00 0.00 -1.47 0.00 0.00 33.84 33.72 1sj8 n VAL 723 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sj8 h ALA 724 N 2.69 0.13 0.00 2.33 0.00 -0.83 0.11 119.26 123.69 1sj8 h ALA 724 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sj8 h ALA 724 Cb 0.65 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1sj8 h ALA 724 CO 0.00 -0.52 0.02 -0.35 0.00 0.00 0.00 179.25 178.40 1sj8 n PRO 725 N -5.32 0.00 0.00 0.00 -0.04 -1.26 -3.92 135.00 124.46 1sj8 n PRO 725 Ca 0.01 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1sj8 n PRO 725 Cb 0.23 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1sj8 n PRO 725 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1sj8 n THR 726 N -1.17 0.00 0.00 0.52 -1.04 -0.04 -4.53 114.28 108.02 1sj8 n THR 726 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1sj8 n THR 726 Cb 0.02 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1sj8 n THR 726 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1sj8 n ILE 727 N -0.08 0.00 0.09 12.58 -6.64 0.18 -4.05 119.36 121.43 1sj8 n ILE 727 Ca 0.00 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 60.94 1sj8 n ILE 727 Cb 0.00 0.00 -0.07 0.00 -1.44 0.00 0.00 39.64 38.13 1sj8 n ILE 727 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1sj8 h SER 728 N 0.00 0.00 -3.06 7.28 0.02 -1.87 -3.45 113.55 112.46 1sj8 h SER 728 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1sj8 h SER 728 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1sj8 h SER 728 CO 0.00 0.83 0.75 -0.55 -1.14 0.00 0.00 176.83 176.71 1sj8 s SER 729 N -6.62 7.06 0.45 3.07 0.15 -1.26 -4.93 113.70 111.62 1sj8 s SER 729 Ca 0.02 1.69 0.11 0.00 0.70 0.00 0.00 55.95 58.47 1sj8 s SER 729 Cb 0.09 -2.55 1.02 0.00 -1.71 0.00 0.00 66.02 62.87 1sj8 s SER 729 CO 0.79 -0.62 2.09 1.55 1.20 0.00 0.00 173.24 178.25 1sj8 h PRO 730 N 7.61 0.34 0.00 5.44 0.13 -1.98 -2.55 132.00 140.99 1sj8 h PRO 730 Ca -0.30 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 1sj8 h PRO 730 Cb 1.13 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1sj8 h PRO 730 CO 0.91 0.22 -0.46 -0.24 -0.23 0.00 0.00 178.00 178.20 1sj8 h VAL 731 N 0.35 0.94 0.00 1.56 3.04 -1.97 -1.93 116.25 118.24 1sj8 h VAL 731 Ca 0.11 -1.88 -0.06 0.00 -1.01 0.00 0.00 66.70 63.85 1sj8 h VAL 731 Cb 0.00 2.15 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1sj8 h VAL 731 CO -0.02 0.45 -0.31 0.00 -1.01 0.00 0.00 177.57 176.68 1sj8 h GLN 733 N 0.00 -0.28 -0.99 0.00 4.20 -1.42 0.32 115.11 116.93 1sj8 h GLN 733 Ca -0.00 0.02 0.20 0.00 0.06 0.00 0.00 58.65 58.93 1sj8 h GLN 733 Cb 0.66 0.06 -0.19 0.00 0.30 0.00 0.00 27.48 28.32 1sj8 h GLN 733 CO 0.04 0.06 -0.23 0.93 -0.67 0.00 0.00 178.83 178.96 1sj8 h GLU 734 N -0.95 0.00 -0.59 1.46 3.07 -1.02 0.37 114.58 116.92 1sj8 h GLU 734 Ca -0.03 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 1sj8 h GLU 734 Cb 0.48 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 1sj8 h GLU 734 CO 0.05 0.00 -0.03 1.96 -1.40 0.00 0.00 179.01 179.59 1sj8 h GLN 735 N 0.00 1.07 -0.82 2.33 1.08 -1.12 -1.20 115.11 116.44 1sj8 h GLN 735 Ca 0.49 -0.35 0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1sj8 h GLN 735 Cb 0.77 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.07 1sj8 h GLN 735 CO -1.01 1.06 0.54 1.25 -0.95 0.00 0.00 178.83 179.72 1sj8 h LEU 736 N 0.96 0.94 -0.67 1.46 7.12 0.36 -1.03 115.31 124.45 1sj8 h LEU 736 Ca 0.16 -0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.12 1sj8 h LEU 736 Cb 0.60 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1sj8 h LEU 736 CO 0.04 0.67 -0.14 -0.37 -0.13 0.00 0.00 178.44 178.51 1sj8 h VAL 737 N 1.10 0.29 0.00 1.05 -1.51 -0.53 -2.26 116.25 114.40 1sj8 h VAL 737 Ca 0.30 -1.11 -0.06 0.00 -1.23 0.00 0.00 66.70 64.60 1sj8 h VAL 737 Cb -0.11 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 1sj8 h VAL 737 CO -0.07 0.14 -0.29 -0.08 -1.23 0.00 0.00 177.57 176.04 1sj8 h GLU 738 N 0.00 0.00 0.00 5.19 4.57 -0.31 -0.64 114.58 123.40 1sj8 h GLU 738 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sj8 h GLU 738 Cb 0.87 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1sj8 h GLU 738 CO 0.02 0.29 -0.34 0.00 -1.18 0.00 0.00 179.01 177.80 1sj8 h ALA 739 N 1.71 0.82 -0.58 2.92 0.00 -0.65 -2.99 119.26 120.49 1sj8 h ALA 739 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1sj8 h ALA 739 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1sj8 h ALA 739 CO 0.04 0.00 0.03 0.78 0.00 0.00 0.00 179.25 180.10 1sj8 h GLY 740 N 4.07 1.07 1.09 0.00 0.00 -0.77 -1.94 103.07 106.59 1sj8 h GLY 740 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.48 1sj8 h GLY 740 CO 0.00 0.69 -0.09 -0.09 0.00 0.00 0.00 176.54 177.05 1sj8 h ARG 741 N 0.92 1.04 -0.82 4.80 2.43 -1.33 0.76 114.38 122.17 1sj8 h ARG 741 Ca 0.17 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 1sj8 h ARG 741 Cb 0.50 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1sj8 h ARG 741 CO 0.02 1.07 0.45 -0.07 -1.51 0.00 0.00 179.97 179.93 1sj8 h LEU 742 N 0.92 1.02 -0.30 3.80 4.07 -1.42 -1.30 115.31 122.11 1sj8 h LEU 742 Ca 0.15 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 1sj8 h LEU 742 Cb 0.66 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1sj8 h LEU 742 CO 0.05 0.82 0.03 0.58 -1.08 0.00 0.00 178.44 178.83 1sj8 h VAL 743 N 1.15 1.24 -0.73 1.22 2.07 -0.51 0.29 116.25 120.98 1sj8 h VAL 743 Ca 0.29 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1sj8 h VAL 743 Cb 0.03 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1sj8 h VAL 743 CO -0.05 0.28 0.44 0.00 0.02 0.00 0.00 177.57 178.26 1sj8 h ALA 744 N 0.86 0.97 -0.32 1.67 0.00 -0.42 0.12 119.26 122.14 1sj8 h ALA 744 Ca 0.09 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1sj8 h ALA 744 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1sj8 h ALA 744 CO 0.01 0.17 -0.26 -0.22 0.00 0.00 0.00 179.25 178.95 1sj8 h LYS 745 N 0.82 0.64 0.00 0.00 3.64 -1.19 -0.06 116.57 120.43 1sj8 h LYS 745 Ca 0.31 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1sj8 h LYS 745 Cb 0.12 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1sj8 h LYS 745 CO -0.15 0.84 -0.35 0.00 -2.27 0.00 0.00 179.45 177.51 1sj8 h ALA 746 N 1.16 1.01 -0.03 5.00 0.00 0.25 -2.61 119.26 124.03 1sj8 h ALA 746 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1sj8 h ALA 746 Cb 0.73 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sj8 h ALA 746 CO 0.06 0.44 -0.07 0.28 0.00 0.00 0.00 179.25 179.95 1sj8 h VAL 747 N 0.00 1.44 0.00 0.00 2.07 -0.02 -2.80 116.25 116.95 1sj8 h VAL 747 Ca -0.00 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1sj8 h VAL 747 Cb 0.87 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1sj8 h VAL 747 CO 0.05 0.38 -0.04 -0.33 0.02 0.00 0.00 177.57 177.65 1sj8 h GLU 748 N -0.43 0.00 0.00 1.57 3.07 -1.02 -0.52 114.58 117.25 1sj8 h GLU 748 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sj8 h GLU 748 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1sj8 h GLU 748 CO 0.02 0.04 0.00 0.41 -1.40 0.00 0.00 179.01 178.07 1sj8 n GLY 749 N -1.43 -1.64 0.11 -3.84 0.00 -0.99 -1.83 105.19 95.57 1sj8 n GLY 749 Ca -0.03 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1sj8 n GLY 749 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj8 h VAL 751 N 0.05 1.28 -0.40 0.00 -1.51 -0.98 -3.02 116.25 111.67 1sj8 h VAL 751 Ca -0.28 -2.07 -0.14 0.00 -1.23 0.00 0.00 66.70 62.98 1sj8 h VAL 751 Cb 2.01 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 33.27 1sj8 h VAL 751 CO 0.13 0.65 -0.29 0.77 -1.23 0.00 0.00 177.57 177.60 1sj8 h SER 752 N 0.48 0.90 -0.72 4.19 4.64 -1.51 -0.81 113.55 120.73 1sj8 h SER 752 Ca -0.07 -0.36 0.13 0.00 -0.47 0.00 0.00 61.79 61.01 1sj8 h SER 752 Cb 1.49 -0.25 -0.09 0.00 -0.31 0.00 0.00 62.40 63.24 1sj8 h SER 752 CO 0.17 1.12 0.29 0.00 -0.87 0.00 0.00 176.83 177.54 1sj8 h ALA 753 N 0.93 1.00 -0.49 5.18 0.00 -1.53 -0.99 119.26 123.36 1sj8 h ALA 753 Ca 0.08 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1sj8 h ALA 753 Cb 0.84 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1sj8 h ALA 753 CO 0.07 -0.20 0.09 0.77 0.00 0.00 0.00 179.25 179.99 1sj8 h SER 754 N 0.45 0.76 0.82 0.00 0.02 -1.30 -3.01 113.55 111.28 1sj8 h SER 754 Ca 0.39 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1sj8 h SER 754 Cb 0.56 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1sj8 h SER 754 CO -0.38 0.81 -0.44 1.56 -1.14 0.00 0.00 176.83 177.25 1sj8 h GLN 755 N 0.67 0.00 0.00 3.45 4.20 -0.75 -0.23 115.11 122.45 1sj8 h GLN 755 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1sj8 h GLN 755 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1sj8 h GLN 755 CO 0.01 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.60 1sj8 h ALA 756 N 1.56 1.00 -0.43 3.87 0.00 -1.06 -0.09 119.26 124.11 1sj8 h ALA 756 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sj8 h ALA 756 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1sj8 h ALA 756 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1sj8 n ALA 757 N -2.08 2.88 -0.54 0.00 0.00 -0.25 -5.06 120.51 115.46 1sj8 n ALA 757 Ca 0.01 -1.76 -0.21 0.00 0.00 0.00 0.00 53.44 51.48 1sj8 n ALA 757 Cb 0.32 -0.76 0.02 0.00 0.00 0.00 0.00 19.45 19.02 1sj8 n ALA 757 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1sj8 n THR 758 N 0.35 0.00 -0.53 0.00 -2.24 -0.05 -4.79 114.28 107.03 1sj8 n THR 758 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1sj8 n THR 758 Cb 0.80 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1sj8 n THR 758 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sj8 n GLU 759 N 1.36 -0.96 -0.30 -0.78 4.71 -1.26 -5.04 120.64 118.36 1sj8 n GLU 759 Ca -0.01 0.87 0.00 0.00 -0.01 0.00 0.00 57.16 58.01 1sj8 n GLU 759 Cb 0.40 -0.75 0.00 0.00 -1.01 0.00 0.00 31.44 30.08 1sj8 n GLU 759 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1sj8 n ASP 760 N -0.03 0.00 0.06 1.62 2.03 -1.26 -4.84 116.55 114.13 1sj8 n ASP 760 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 1sj8 n ASP 760 Cb 0.00 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.61 1sj8 n ASP 760 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sj8 n GLY 761 N -0.75 -1.44 0.27 0.27 0.00 -1.26 -3.72 105.19 98.55 1sj8 n GLY 761 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1sj8 n GLY 761 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1sj8 h GLN 762 N 0.00 0.00 0.15 1.61 4.15 -2.00 -2.41 115.11 116.62 1sj8 h GLN 762 Ca 0.00 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.12 1sj8 h GLN 762 Cb 0.72 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.44 1sj8 h GLN 762 CO 0.00 0.11 -1.30 1.25 -1.93 0.00 0.00 178.83 176.97 1sj8 h LEU 763 N 0.00 0.76 -2.26 -2.39 6.46 -1.88 -3.01 115.31 112.98 1sj8 h LEU 763 Ca -0.00 -0.75 -0.01 0.00 -0.12 0.00 0.00 57.88 57.00 1sj8 h LEU 763 Cb 0.36 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1sj8 h LEU 763 CO 0.01 1.57 -0.05 -0.07 -0.62 0.00 0.00 178.44 179.28 1sj8 h LEU 764 N 0.20 0.00 0.14 2.25 4.07 -1.63 -2.31 115.31 118.02 1sj8 h LEU 764 Ca -0.19 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.50 1sj8 h LEU 764 Cb 1.98 0.00 0.03 0.00 1.08 0.00 0.00 40.66 43.75 1sj8 h LEU 764 CO 0.24 0.05 -1.12 0.08 -1.08 0.00 0.00 178.44 176.61 1sj8 h ARG 765 N 0.00 0.51 -0.06 1.13 0.11 -1.40 -2.66 114.38 112.01 1sj8 h ARG 765 Ca -0.00 -0.74 0.02 0.00 0.10 0.00 0.00 59.98 59.36 1sj8 h ARG 765 Cb 0.15 0.25 -0.04 0.00 1.11 0.00 0.00 29.97 31.45 1sj8 h ARG 765 CO 0.01 1.33 -0.35 0.78 0.10 0.00 0.00 179.97 181.83 1sj8 h GLY 766 N 0.05 -1.25 0.73 0.08 0.00 -1.31 0.11 103.07 101.48 1sj8 h GLY 766 Ca -0.18 0.67 0.17 0.00 0.00 0.00 0.00 47.33 47.99 1sj8 h GLY 766 CO 0.21 -0.34 0.46 -2.08 0.00 0.00 0.00 176.54 174.80 1sj8 h VAL 767 N -0.40 0.61 0.07 4.60 2.07 -1.50 0.32 116.25 122.03 1sj8 h VAL 767 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1sj8 h VAL 767 Cb 0.45 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1sj8 h VAL 767 CO -0.27 0.00 -0.03 1.23 0.02 0.00 0.00 177.57 178.52 1sj8 h GLY 768 N 0.00 -0.10 1.19 2.17 0.00 -0.69 0.36 103.07 106.00 1sj8 h GLY 768 Ca 0.29 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 1sj8 h GLY 768 CO -0.00 -0.04 0.30 0.00 0.00 0.00 0.00 176.54 176.80 1sj8 h ALA 769 N 0.25 1.19 -0.54 3.60 0.00 0.92 0.15 119.26 124.82 1sj8 h ALA 769 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1sj8 h ALA 769 Cb 0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1sj8 h ALA 769 CO 0.02 0.60 0.28 0.00 0.00 0.00 0.00 179.25 180.14 1sj8 h ALA 770 N 1.30 0.70 -0.88 0.00 0.00 -0.32 -0.27 119.26 119.80 1sj8 h ALA 770 Ca 0.24 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1sj8 h ALA 770 Cb 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1sj8 h ALA 770 CO -0.02 0.24 0.56 0.00 0.00 0.00 0.00 179.25 180.02 1sj8 h ALA 771 N 1.12 1.19 0.58 0.00 0.00 0.84 -0.87 119.26 122.11 1sj8 h ALA 771 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sj8 h ALA 771 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1sj8 h ALA 771 CO -0.03 0.35 -0.40 0.00 0.00 0.00 0.00 179.25 179.17 1sj8 h THR 772 N 1.05 0.19 -0.68 0.00 1.03 0.94 -0.54 112.91 114.89 1sj8 h THR 772 Ca 0.37 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.76 1sj8 h THR 772 Cb 0.10 0.19 -0.03 0.00 -1.07 0.00 0.00 68.15 67.33 1sj8 h THR 772 CO -0.15 0.00 0.37 0.00 -0.01 0.00 0.00 175.52 175.73 1sj8 h ALA 773 N -0.65 0.86 -0.84 0.00 0.00 -1.08 -0.49 119.26 117.07 1sj8 h ALA 773 Ca -0.07 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.89 1sj8 h ALA 773 Cb 0.78 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1sj8 h ALA 773 CO 0.04 0.38 0.55 0.28 0.00 0.00 0.00 179.25 180.49 1sj8 h VAL 774 N 0.92 0.81 0.09 0.00 2.07 -0.70 -2.07 116.25 117.38 1sj8 h VAL 774 Ca 0.24 -0.19 -0.29 0.00 0.82 0.00 0.00 66.70 67.27 1sj8 h VAL 774 Cb 0.03 0.20 0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1sj8 h VAL 774 CO -0.04 0.10 -1.20 0.74 0.02 0.00 0.00 177.57 177.20 1sj8 h THR 775 N 0.56 1.29 -0.01 2.57 2.02 -0.37 -3.08 112.91 115.89 1sj8 h THR 775 Ca 0.42 -2.43 -0.06 0.00 0.77 0.00 0.00 66.41 65.10 1sj8 h THR 775 Cb 0.80 2.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.82 1sj8 h THR 775 CO -0.17 0.74 -0.30 1.56 0.37 0.00 0.00 175.52 177.72 1sj8 h GLN 776 N 0.30 0.02 0.00 6.66 7.50 -0.46 -1.66 115.11 127.46 1sj8 h GLN 776 Ca -0.17 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.97 1sj8 h GLN 776 Cb 1.86 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.39 1sj8 h GLN 776 CO 0.23 0.32 -0.62 0.00 -1.50 0.00 0.00 178.83 177.25 1sj8 h ALA 777 N 1.68 0.68 -0.13 3.87 0.00 -1.47 -3.11 119.26 120.78 1sj8 h ALA 777 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1sj8 h ALA 777 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1sj8 h ALA 777 CO 0.04 0.00 -0.30 1.25 0.00 0.00 0.00 179.25 180.24 1sj8 h LEU 778 N 0.00 0.25 0.27 0.00 7.12 -1.21 -1.48 115.31 120.26 1sj8 h LEU 778 Ca 0.00 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 57.92 1sj8 h LEU 778 Cb 0.98 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 1sj8 h LEU 778 CO 0.00 0.54 -0.13 0.78 -0.13 0.00 0.00 178.44 179.51 1sj8 h ASN 779 N 0.22 -0.31 0.80 1.25 2.35 -1.49 -2.97 115.58 115.44 1sj8 h ASN 779 Ca 0.03 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 1sj8 h ASN 779 Cb 0.64 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 1sj8 h ASN 779 CO 0.05 0.14 -0.13 1.05 -1.65 0.00 0.00 177.43 176.89 1sj8 h GLU 780 N -0.84 0.00 0.00 0.81 -0.00 -1.47 -0.88 114.58 112.19 1sj8 h GLU 780 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1sj8 h GLU 780 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.26 1sj8 h GLU 780 CO 0.06 0.13 0.00 1.28 -0.00 0.00 0.00 179.01 180.48 1sj8 n LEU 781 N -3.33 0.00 0.00 3.06 4.77 -0.57 -5.04 117.00 115.89 1sj8 n LEU 781 Ca -0.00 0.50 0.15 0.00 -0.03 0.00 0.00 56.01 56.63 1sj8 n LEU 781 Cb 0.34 -0.50 0.90 0.00 -2.33 0.00 0.00 43.42 41.83 1sj8 n LEU 781 CO 0.30 -0.34 1.06 0.18 -1.33 0.00 0.00 177.39 177.26