#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3t n GLY 462 N 0.00 -0.62 0.00 3.14 0.00 -1.26 -5.11 105.19 101.34 1b3t n GLY 462 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1b3t n GLY 462 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3t n GLY 463 N -0.61 -1.59 3.80 -0.02 0.00 -1.26 -4.98 105.19 100.54 1b3t n GLY 463 Ca 0.00 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1b3t n GLY 463 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b3t s TRP 464 N 0.00 3.75 -0.05 1.61 -0.00 -1.26 -4.98 118.94 118.01 1b3t s TRP 464 Ca 0.00 1.19 0.08 0.00 -0.00 0.00 0.00 56.10 57.36 1b3t s TRP 464 Cb 0.00 -2.50 0.12 0.00 -0.00 0.00 0.00 33.47 31.09 1b3t s TRP 464 CO 0.00 0.51 1.01 1.19 -0.00 0.00 0.00 176.95 179.66 1b3t n PHE 465 N 2.12 0.00 -0.86 5.86 3.72 -1.26 -5.01 117.46 122.03 1b3t n PHE 465 Ca -0.10 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 1b3t n PHE 465 Cb 0.51 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1b3t n PHE 465 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b3t n GLY 466 N -0.63 0.56 3.42 1.37 0.00 -1.26 -4.98 105.19 103.67 1b3t n GLY 466 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1b3t n GLY 466 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b3t s LYS 467 N -0.45 2.95 0.86 1.61 -0.14 -1.26 -5.09 119.74 118.23 1b3t s LYS 467 Ca 0.00 -1.00 -0.13 0.00 -1.36 0.00 0.00 55.97 53.48 1b3t s LYS 467 Cb 0.00 -3.79 0.11 0.00 -1.68 0.00 0.00 37.83 32.47 1b3t s LYS 467 CO 0.00 -0.67 1.18 -1.01 -0.76 0.00 0.00 175.35 174.09 1b3t s HIS 468 N 1.61 2.65 0.17 3.18 3.76 -1.26 -4.91 115.29 120.48 1b3t s HIS 468 Ca 0.03 0.73 -0.34 0.00 -0.15 0.00 0.00 55.06 55.34 1b3t s HIS 468 Cb -0.19 -3.53 -0.15 0.00 1.11 0.00 0.00 32.58 29.82 1b3t s HIS 468 CO 0.08 -2.06 1.40 0.54 -0.85 0.00 0.00 174.74 173.84 1b3t n ARG 469 N -3.51 1.69 -0.17 1.40 1.74 -1.26 -1.32 116.66 115.23 1b3t n ARG 469 Ca 0.08 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 1b3t n ARG 469 Cb 0.60 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1b3t n ARG 469 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b3t n GLY 470 N 2.60 2.00 0.61 -0.13 0.00 -1.26 -4.90 105.19 104.10 1b3t n GLY 470 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1b3t n GLY 470 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1b3t n GLN 471 N -2.00 1.81 -1.55 1.61 6.02 -0.43 -4.99 117.38 117.85 1b3t n GLN 471 Ca 0.00 -1.21 -0.44 0.00 -0.01 0.00 0.00 57.00 55.34 1b3t n GLN 471 Cb 0.00 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 29.83 1b3t n GLN 471 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b3t n GLY 472 N 1.18 -0.62 0.00 1.08 0.00 -1.26 -4.92 105.19 100.65 1b3t n GLY 472 Ca 0.17 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1b3t n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3t n GLY 473 N 1.39 3.09 3.49 -0.02 0.00 -1.26 -5.14 105.19 106.75 1b3t n GLY 473 Ca 0.11 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 1b3t n GLY 473 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b3t s SER 474 N -0.25 3.90 0.11 1.61 1.04 -1.26 -5.04 113.70 113.81 1b3t s SER 474 Ca 0.00 -0.59 -0.13 0.00 0.48 0.00 0.00 55.95 55.72 1b3t s SER 474 Cb 0.00 -0.55 0.02 0.00 0.10 0.00 0.00 66.02 65.59 1b3t s SER 474 CO 0.00 0.16 0.31 0.54 0.98 0.00 0.00 173.24 175.24 1b3t s ASN 475 N -2.27 -0.08 0.44 7.02 2.20 -1.26 -5.03 114.94 115.96 1b3t s ASN 475 Ca 0.19 -0.48 0.21 0.00 -0.94 0.00 0.00 52.86 51.83 1b3t s ASN 475 Cb -0.10 0.42 1.17 0.00 -2.00 0.00 0.00 41.25 40.74 1b3t s ASN 475 CO 0.11 -0.81 1.86 1.55 -2.94 0.00 0.00 177.10 176.87 1b3t h PRO 476 N 2.52 0.30 -0.07 3.55 0.13 -2.00 0.88 132.00 137.32 1b3t h PRO 476 Ca -0.34 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1b3t h PRO 476 Cb 1.23 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1b3t h PRO 476 CO 0.50 0.20 0.01 -0.22 -0.23 0.00 0.00 178.00 178.27 1b3t h LYS 477 N 0.31 0.04 0.00 0.86 3.64 -1.99 0.95 116.57 120.38 1b3t h LYS 477 Ca 0.46 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.69 1b3t h LYS 477 Cb 1.27 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1b3t h LYS 477 CO -0.14 0.03 -0.67 0.74 -2.27 0.00 0.00 179.45 177.13 1b3t h PHE 478 N 0.04 0.00 -0.37 1.91 0.04 -1.74 -2.99 116.94 113.84 1b3t h PHE 478 Ca 0.03 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.64 1b3t h PHE 478 Cb 0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1b3t h PHE 478 CO -0.11 0.67 -0.40 0.93 -0.60 0.00 0.00 178.31 178.81 1b3t h GLU 479 N 0.00 0.90 -0.99 1.51 5.08 -0.68 -0.52 114.58 119.87 1b3t h GLU 479 Ca -0.01 -0.48 0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1b3t h GLU 479 Cb 1.49 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.71 1b3t h GLU 479 CO 0.09 1.12 0.64 -0.97 -1.00 0.00 0.00 179.01 178.89 1b3t h ASN 480 N 0.73 1.15 -0.30 1.42 -0.73 -0.74 0.13 115.58 117.23 1b3t h ASN 480 Ca 0.06 -0.04 -0.14 0.00 1.87 0.00 0.00 56.30 58.04 1b3t h ASN 480 Cb 0.98 -0.29 -0.00 0.00 0.27 0.00 0.00 38.32 39.28 1b3t h ASN 480 CO 0.09 0.84 -0.37 0.40 -0.37 0.00 0.00 177.43 178.03 1b3t h ILE 481 N 1.35 1.29 -0.57 2.57 2.04 -1.41 -3.00 117.51 119.78 1b3t h ILE 481 Ca 0.36 -1.55 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1b3t h ILE 481 Cb -0.13 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1b3t h ILE 481 CO -0.08 0.50 0.34 0.00 0.00 0.00 0.00 178.15 178.92 1b3t h ALA 482 N 0.71 0.73 -0.53 1.87 0.00 -0.47 -2.26 119.26 119.30 1b3t h ALA 482 Ca 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1b3t h ALA 482 Cb 0.95 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1b3t h ALA 482 CO 0.09 0.21 0.19 0.93 0.00 0.00 0.00 179.25 180.67 1b3t h GLU 483 N 0.77 0.77 -0.54 0.00 4.39 -0.78 0.77 114.58 119.97 1b3t h GLU 483 Ca 0.21 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 1b3t h GLU 483 Cb -0.01 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1b3t h GLU 483 CO -0.04 0.65 -0.14 0.78 -1.16 0.00 0.00 179.01 179.11 1b3t h GLY 484 N 0.91 1.12 0.90 -3.84 0.00 -1.34 -2.08 103.07 98.74 1b3t h GLY 484 Ca 0.18 -0.93 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 1b3t h GLY 484 CO -0.01 0.85 0.04 1.41 0.00 0.00 0.00 176.54 178.83 1b3t h LEU 485 N 0.91 0.51 -0.50 3.11 3.38 -1.03 -2.96 115.31 118.74 1b3t h LEU 485 Ca 0.13 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1b3t h LEU 485 Cb 0.71 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1b3t h LEU 485 CO 0.05 0.65 0.19 0.03 0.09 0.00 0.00 178.44 179.46 1b3t h ARG 486 N 0.35 0.36 -0.38 1.13 3.08 -0.74 -1.33 114.38 116.85 1b3t h ARG 486 Ca 0.10 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1b3t h ARG 486 Cb 0.37 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1b3t h ARG 486 CO 0.01 0.24 0.15 0.00 -1.07 0.00 0.00 179.97 179.30 1b3t h ALA 487 N 1.32 1.55 -0.07 0.04 0.00 -1.34 -0.52 119.26 120.25 1b3t h ALA 487 Ca 0.24 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 1b3t h ALA 487 Cb 0.24 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1b3t h ALA 487 CO -0.23 0.35 -0.69 -0.07 0.00 0.00 0.00 179.25 178.61 1b3t h LEU 488 N 0.54 0.73 -1.47 0.00 3.38 -1.26 -3.22 115.31 114.02 1b3t h LEU 488 Ca 0.13 -0.68 -0.06 0.00 0.09 0.00 0.00 57.88 57.37 1b3t h LEU 488 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1b3t h LEU 488 CO -0.01 1.30 -0.27 -0.07 0.09 0.00 0.00 178.44 179.48 1b3t h LEU 489 N 0.22 0.00 -1.69 1.67 4.07 -0.81 -2.91 115.31 115.86 1b3t h LEU 489 Ca -0.06 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 1b3t h LEU 489 Cb 1.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.08 1b3t h LEU 489 CO 0.14 0.27 -0.17 0.00 -1.08 0.00 0.00 178.44 177.60 1b3t h ALA 490 N 1.73 1.26 -0.04 1.53 0.00 -1.11 -1.87 119.26 120.76 1b3t h ALA 490 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1b3t h ALA 490 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1b3t h ALA 490 CO 0.03 0.21 -0.48 0.00 0.00 0.00 0.00 179.25 179.01 1b3t h ARG 491 N 0.00 0.09 -3.46 0.00 3.08 -1.60 -3.33 114.38 109.16 1b3t h ARG 491 Ca -0.00 -0.05 -0.68 0.00 0.07 0.00 0.00 59.98 59.32 1b3t h ARG 491 Cb 0.44 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.13 1b3t h ARG 491 CO 0.02 0.55 -0.37 -1.12 -1.07 0.00 0.00 179.97 177.98 1b3t s SER 492 N -6.89 5.19 -1.32 7.04 0.01 -0.70 -5.00 113.70 112.03 1b3t s SER 492 Ca -0.03 -3.11 -0.08 0.00 1.31 0.00 0.00 55.95 54.04 1b3t s SER 492 Cb 0.13 -1.82 0.13 0.00 0.21 0.00 0.00 66.02 64.68 1b3t s SER 492 CO 0.76 -0.29 2.14 0.00 0.41 0.00 0.00 173.24 176.25 1b3t n HIS 493 N 3.10 2.78 -2.48 2.43 1.44 -1.23 -4.82 115.22 116.45 1b3t n HIS 493 Ca 0.11 -2.82 -0.23 0.00 -2.01 0.00 0.00 57.72 52.77 1b3t n HIS 493 Cb 0.37 -1.94 0.07 0.00 0.12 0.00 0.00 29.99 28.61 1b3t n HIS 493 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1b3t s VAL 494 N -0.10 2.39 0.17 0.61 -7.23 -1.26 -5.05 120.40 109.92 1b3t s VAL 494 Ca 0.47 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 1b3t s VAL 494 Cb 0.14 -2.87 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 1b3t s VAL 494 CO -0.04 0.00 1.15 -1.61 -0.31 0.00 0.00 175.10 174.29 1b3t s GLU 495 N -5.04 4.53 -0.01 4.82 2.02 -1.26 -4.94 118.70 118.81 1b3t s GLU 495 Ca 0.61 1.79 0.14 0.00 0.02 0.00 0.00 54.97 57.53 1b3t s GLU 495 Cb -0.09 -3.27 -0.20 0.00 0.10 0.00 0.00 34.13 30.67 1b3t s GLU 495 CO 0.42 -0.03 0.37 0.54 0.02 0.00 0.00 175.26 176.58 1b3t n ARG 496 N 2.60 0.97 -4.17 1.61 1.74 -1.26 -4.43 116.66 113.73 1b3t n ARG 496 Ca 0.04 -0.09 -0.17 0.00 -0.77 0.00 0.00 57.85 56.85 1b3t n ARG 496 Cb 0.46 -1.28 -0.12 0.00 -1.02 0.00 0.00 32.46 30.50 1b3t n ARG 496 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1b3t s THR 497 N -2.78 1.08 0.50 0.55 -4.23 -1.26 -4.15 115.64 105.34 1b3t s THR 497 Ca -0.02 -1.38 0.06 0.00 -1.18 0.00 0.00 61.69 59.17 1b3t s THR 497 Cb 0.09 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.82 1b3t s THR 497 CO 0.57 -0.30 0.37 0.42 -0.54 0.00 0.00 174.62 175.14 1b3t s THR 498 N -1.52 1.93 -0.01 3.99 -4.23 -1.26 -5.01 115.64 109.54 1b3t s THR 498 Ca -0.00 -1.49 0.11 0.00 -1.18 0.00 0.00 61.69 59.13 1b3t s THR 498 Cb -0.09 -2.42 -0.20 0.00 1.34 0.00 0.00 72.50 71.13 1b3t s THR 498 CO 0.02 0.00 0.90 0.44 -0.54 0.00 0.00 174.62 175.44 1b3t h ASP 499 N 0.89 0.00 0.82 3.99 3.32 -2.00 -3.25 116.42 120.19 1b3t h ASP 499 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1b3t h ASP 499 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1b3t h ASP 499 CO 0.59 0.94 0.00 -1.84 -1.72 0.00 0.00 179.24 177.20 1b3t n GLU 500 N -3.13 0.04 -2.48 3.56 0.00 -1.26 -4.91 120.64 112.46 1b3t n GLU 500 Ca -0.10 0.16 -0.13 0.00 0.00 0.00 0.00 57.16 57.09 1b3t n GLU 500 Cb 0.98 -1.56 -0.01 0.00 0.00 0.00 0.00 31.44 30.85 1b3t n GLU 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b3t n GLY 501 N 0.75 -0.50 3.84 -1.84 0.00 -1.23 -4.97 105.19 101.24 1b3t n GLY 501 Ca 0.05 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1b3t n GLY 501 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b3t s THR 502 N -2.65 4.89 -0.63 2.61 -4.23 -1.26 -5.03 115.64 109.34 1b3t s THR 502 Ca 0.02 0.83 -0.19 0.00 -1.18 0.00 0.00 61.69 61.18 1b3t s THR 502 Cb -0.01 -3.74 0.11 0.00 1.34 0.00 0.00 72.50 70.19 1b3t s THR 502 CO 0.02 0.32 0.75 0.26 -0.54 0.00 0.00 174.62 175.44 1b3t s TRP 503 N -1.37 3.02 -0.58 3.99 0.52 -1.26 -4.36 118.94 118.89 1b3t s TRP 503 Ca 0.35 -1.01 0.16 0.00 0.02 0.00 0.00 56.10 55.62 1b3t s TRP 503 Cb -0.16 -4.04 -0.19 0.00 -1.15 0.00 0.00 33.47 27.93 1b3t s TRP 503 CO 0.18 -1.32 0.61 1.33 0.02 0.00 0.00 176.95 177.77 1b3t n VAL 504 N 5.49 0.00 -4.14 4.03 0.24 -1.00 -1.11 118.33 121.84 1b3t n VAL 504 Ca -0.06 -0.18 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 1b3t n VAL 504 Cb 0.43 0.79 -0.09 0.00 -1.47 0.00 0.00 33.84 33.51 1b3t n VAL 504 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b3t s ALA 505 N -2.67 0.78 0.30 2.33 0.00 -0.99 -1.59 121.76 119.92 1b3t s ALA 505 Ca 0.03 -1.46 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 1b3t s ALA 505 Cb 0.12 1.25 0.02 0.00 0.00 0.00 0.00 23.12 24.51 1b3t s ALA 505 CO 0.67 -0.64 0.67 0.20 0.00 0.00 0.00 175.76 176.66 1b3t s GLY 506 N -3.11 0.25 -0.17 0.00 0.00 0.34 -0.75 107.32 103.88 1b3t s GLY 506 Ca 0.33 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.45 1b3t s GLY 506 CO 0.10 -0.31 -0.15 0.14 0.00 0.00 0.00 173.10 172.88 1b3t s VAL 507 N -3.50 1.70 -0.39 1.40 1.01 -0.15 -0.65 120.40 119.82 1b3t s VAL 507 Ca 0.16 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 1b3t s VAL 507 Cb -0.04 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1b3t s VAL 507 CO 0.09 0.42 0.47 0.12 0.00 0.00 0.00 175.10 176.21 1b3t s PHE 508 N 1.42 3.16 -0.09 5.22 2.19 -0.29 -0.79 117.98 128.80 1b3t s PHE 508 Ca 0.04 -0.11 -0.00 0.00 0.33 0.00 0.00 56.93 57.19 1b3t s PHE 508 Cb -0.14 -2.93 -0.03 0.00 -1.31 0.00 0.00 43.02 38.62 1b3t s PHE 508 CO -0.11 -0.63 -0.07 0.08 1.83 0.00 0.00 175.22 176.33 1b3t s VAL 509 N 2.29 3.70 0.28 3.12 1.01 -0.60 -1.91 120.40 128.28 1b3t s VAL 509 Ca 0.15 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1b3t s VAL 509 Cb -0.16 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1b3t s VAL 509 CO 0.14 0.57 0.65 -0.72 0.00 0.00 0.00 175.10 175.74 1b3t s TYR 510 N -0.48 -0.01 0.00 5.22 1.13 -0.19 -1.33 117.35 121.69 1b3t s TYR 510 Ca 0.07 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.30 1b3t s TYR 510 Cb -0.12 0.56 0.00 0.00 -1.10 0.00 0.00 41.96 41.30 1b3t s TYR 510 CO 0.02 -1.18 0.00 0.41 -2.51 0.00 0.00 175.55 172.29 1b3t n GLY 511 N -0.44 -1.84 5.82 5.49 0.00 -0.87 0.20 105.19 113.55 1b3t n GLY 511 Ca -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1b3t n GLY 511 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3t n GLY 512 N 0.00 1.75 3.59 -0.02 0.00 -1.23 -4.65 105.19 104.63 1b3t n GLY 512 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1b3t n GLY 512 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b3t s SER 513 N -4.00 -0.42 0.19 1.61 1.04 -1.26 -4.87 113.70 105.98 1b3t s SER 513 Ca 0.00 -0.21 -0.12 0.00 0.48 0.00 0.00 55.95 56.09 1b3t s SER 513 Cb 0.00 0.60 0.17 0.00 0.10 0.00 0.00 66.02 66.89 1b3t s SER 513 CO 0.00 -1.03 1.76 0.50 0.98 0.00 0.00 173.24 175.45 1b3t h LYS 514 N 2.00 0.39 -0.12 4.02 3.64 -1.90 -2.43 116.57 122.17 1b3t h LYS 514 Ca -0.27 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.03 1b3t h LYS 514 Cb 1.28 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1b3t h LYS 514 CO 0.32 0.26 -0.14 1.15 -2.27 0.00 0.00 179.45 178.77 1b3t h THR 515 N 0.40 1.36 -0.77 1.00 2.02 -1.97 -2.25 112.91 112.70 1b3t h THR 515 Ca 0.24 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 66.12 1b3t h THR 515 Cb 0.23 1.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 1b3t h THR 515 CO -0.22 0.38 0.51 0.77 0.37 0.00 0.00 175.52 177.32 1b3t h SER 516 N -0.10 0.87 -0.31 4.18 4.64 -1.94 0.21 113.55 121.10 1b3t h SER 516 Ca 0.02 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1b3t h SER 516 Cb 0.67 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1b3t h SER 516 CO 0.03 0.62 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.53 1b3t h LEU 517 N 1.02 0.56 -0.08 5.97 3.38 -1.46 -1.23 115.31 123.48 1b3t h LEU 517 Ca 0.29 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1b3t h LEU 517 Cb -0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1b3t h LEU 517 CO -0.07 0.74 -0.01 0.22 0.09 0.00 0.00 178.44 179.42 1b3t h TYR 518 N 0.36 -0.02 -0.81 1.13 3.20 -0.66 0.97 116.97 121.13 1b3t h TYR 518 Ca 0.09 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1b3t h TYR 518 Cb 0.47 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1b3t h TYR 518 CO 0.04 -0.02 0.49 -0.91 -1.64 0.00 0.00 178.16 176.12 1b3t h ASN 519 N 0.01 0.97 -0.62 -2.11 2.35 -0.60 -0.18 115.58 115.39 1b3t h ASN 519 Ca 0.04 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1b3t h ASN 519 Cb 0.05 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1b3t h ASN 519 CO -0.07 0.74 0.06 0.25 -1.65 0.00 0.00 177.43 176.77 1b3t h LEU 520 N 1.12 1.03 -0.44 1.61 5.85 -0.66 -1.59 115.31 122.23 1b3t h LEU 520 Ca 0.29 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1b3t h LEU 520 Cb -0.05 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 1b3t h LEU 520 CO -0.06 1.05 0.22 -0.09 -0.34 0.00 0.00 178.44 179.22 1b3t h ARG 521 N 0.99 0.62 -0.30 1.25 2.43 0.18 -0.36 114.38 119.19 1b3t h ARG 521 Ca 0.19 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1b3t h ARG 521 Cb 0.48 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1b3t h ARG 521 CO 0.02 0.52 -0.26 0.00 -1.51 0.00 0.00 179.97 178.73 1b3t h ARG 522 N 0.56 0.61 -0.29 0.20 2.47 -0.92 -2.35 114.38 114.66 1b3t h ARG 522 Ca 0.15 -0.25 -0.11 0.00 -1.26 0.00 0.00 59.98 58.51 1b3t h ARG 522 Cb 0.09 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1b3t h ARG 522 CO -0.02 0.81 -0.27 0.78 0.56 0.00 0.00 179.97 181.84 1b3t h GLY 523 N 1.01 0.75 0.82 0.04 0.00 -1.15 -2.94 103.07 101.58 1b3t h GLY 523 Ca 0.07 -0.76 0.06 0.00 0.00 0.00 0.00 47.33 46.71 1b3t h GLY 523 CO 0.06 0.68 0.63 -0.84 0.00 0.00 0.00 176.54 177.06 1b3t h THR 524 N 0.43 1.10 -0.53 4.70 2.02 -0.96 -1.56 112.91 118.11 1b3t h THR 524 Ca 0.05 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1b3t h THR 524 Cb 0.83 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1b3t h THR 524 CO 0.07 0.21 0.32 0.00 0.37 0.00 0.00 175.52 176.48 1b3t h ALA 525 N 1.47 0.68 -0.32 6.16 0.00 -1.31 -0.47 119.26 125.47 1b3t h ALA 525 Ca 0.41 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.13 1b3t h ALA 525 Cb 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1b3t h ALA 525 CO -0.15 0.03 -0.48 -0.07 0.00 0.00 0.00 179.25 178.57 1b3t h LEU 526 N 0.63 0.95 -0.71 0.00 3.38 -1.26 -3.26 115.31 115.05 1b3t h LEU 526 Ca 0.21 -0.48 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 1b3t h LEU 526 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1b3t h LEU 526 CO -0.09 1.27 -0.52 0.00 0.09 0.00 0.00 178.44 179.19 1b3t h ALA 527 N 0.76 0.90 -2.91 1.53 0.00 -1.07 -3.41 119.26 115.06 1b3t h ALA 527 Ca 0.03 -0.47 -0.61 0.00 0.00 0.00 0.00 54.91 53.86 1b3t h ALA 527 Cb 1.08 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.39 1b3t h ALA 527 CO 0.11 0.65 -0.75 0.42 0.00 0.00 0.00 179.25 179.68 1b3t s ILE 528 N -3.47 1.43 -0.32 0.00 1.01 -0.20 -4.92 121.20 114.73 1b3t s ILE 528 Ca 0.00 -2.79 0.25 0.00 0.00 0.00 0.00 60.65 58.11 1b3t s ILE 528 Cb 0.11 -1.99 0.26 0.00 0.01 0.00 0.00 42.46 40.85 1b3t s ILE 528 CO 0.73 -0.96 1.75 -0.65 0.00 0.00 0.00 174.94 175.81 1b3t h PRO 529 N 6.40 0.00 -0.00 2.79 0.11 -1.80 -2.66 132.00 136.85 1b3t h PRO 529 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1b3t h PRO 529 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1b3t h PRO 529 CO 0.49 0.00 -0.19 1.04 -0.21 0.00 0.00 178.00 179.14 1b3t n GLN 530 N -2.36 0.49 -3.02 1.05 3.00 -1.26 -4.89 117.38 110.38 1b3t n GLN 530 Ca 0.01 -0.20 -0.20 0.00 -0.01 0.00 0.00 57.00 56.60 1b3t n GLN 530 Cb 0.19 -1.50 0.07 0.00 0.00 0.00 0.00 30.24 29.00 1b3t n GLN 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1b3t s ARG 532 N -4.68 0.28 -0.02 0.00 1.81 -0.87 -4.97 118.95 110.51 1b3t s ARG 532 Ca 0.62 -0.34 0.05 0.00 -1.72 0.00 0.00 55.73 54.33 1b3t s ARG 532 Cb -0.05 -0.12 -0.01 0.00 -0.45 0.00 0.00 34.95 34.32 1b3t s ARG 532 CO 0.39 0.02 -0.15 -0.51 -0.68 0.00 0.00 175.30 174.37 1b3t s LEU 533 N -0.70 2.01 0.66 2.53 1.43 -1.26 -0.85 118.68 122.48 1b3t s LEU 533 Ca -0.06 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1b3t s LEU 533 Cb -0.05 -0.80 0.05 0.00 0.03 0.00 0.00 46.19 45.42 1b3t s LEU 533 CO -0.00 0.18 0.94 0.42 0.23 0.00 0.00 176.35 178.12 1b3t s THR 534 N -0.29 2.45 1.07 5.49 -4.23 -1.10 -5.03 115.64 113.99 1b3t s THR 534 Ca 0.05 -0.37 -0.18 0.00 -1.18 0.00 0.00 61.69 60.01 1b3t s THR 534 Cb -0.07 -3.02 0.25 0.00 1.34 0.00 0.00 72.50 71.00 1b3t s THR 534 CO -0.00 -0.02 1.27 -2.84 -0.54 0.00 0.00 174.62 172.49 1b3t s PRO 535 N -5.10 -0.19 0.45 3.99 0.02 -1.26 -4.72 135.00 128.19 1b3t s PRO 535 Ca 0.59 -0.40 -0.19 0.00 0.02 0.00 0.00 61.00 61.03 1b3t s PRO 535 Cb -0.11 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.57 1b3t s PRO 535 CO 0.43 -2.97 0.94 -0.51 -0.33 0.00 0.00 177.00 174.56 1b3t s LEU 536 N -6.28 3.84 0.00 -5.54 1.02 -1.26 -4.65 118.68 105.81 1b3t s LEU 536 Ca 0.75 1.60 -0.02 0.00 0.02 0.00 0.00 54.13 56.48 1b3t s LEU 536 Cb -0.04 -4.48 0.01 0.00 0.02 0.00 0.00 46.19 41.69 1b3t s LEU 536 CO 0.54 -0.42 0.34 -0.24 0.02 0.00 0.00 176.35 176.59 1b3t n SER 537 N -0.95 -0.94 -4.71 2.29 2.88 -0.77 -4.98 113.62 106.44 1b3t n SER 537 Ca 0.06 -2.27 -0.26 0.00 -1.33 0.00 0.00 58.87 55.08 1b3t n SER 537 Cb 0.54 1.75 -0.07 0.00 -0.75 0.00 0.00 64.21 65.68 1b3t n SER 537 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1b3t s ARG 538 N -2.52 2.56 -0.06 -1.46 0.52 -1.26 -1.34 118.95 115.40 1b3t s ARG 538 Ca 0.19 -1.04 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 1b3t s ARG 538 Cb -0.01 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1b3t s ARG 538 CO 0.14 0.46 0.09 -0.51 0.02 0.00 0.00 175.30 175.51 1b3t s LEU 539 N -3.00 4.05 0.98 2.53 1.02 -0.50 -4.89 118.68 118.86 1b3t s LEU 539 Ca 0.29 0.28 -0.16 0.00 0.02 0.00 0.00 54.13 54.56 1b3t s LEU 539 Cb -0.09 -2.14 0.20 0.00 0.02 0.00 0.00 46.19 44.18 1b3t s LEU 539 CO 0.20 0.34 1.28 -2.16 0.02 0.00 0.00 176.35 176.04 1b3t s PRO 540 N -1.32 0.52 0.65 1.29 0.04 -1.26 -1.08 135.00 133.84 1b3t s PRO 540 Ca 0.19 -0.32 -0.07 0.00 0.04 0.00 0.00 61.00 60.84 1b3t s PRO 540 Cb -0.12 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1b3t s PRO 540 CO 0.08 -2.51 0.97 -0.06 0.04 0.00 0.00 177.00 175.53 1b3t s PHE 541 N -3.75 3.11 0.00 0.56 0.08 -1.22 -4.69 117.98 112.06 1b3t s PHE 541 Ca 0.73 0.59 0.00 0.00 0.12 0.00 0.00 56.93 58.37 1b3t s PHE 541 Cb -0.05 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 1b3t s PHE 541 CO 0.53 -1.12 0.00 0.41 -0.10 0.00 0.00 175.22 174.94 1b3t n GLY 542 N -2.78 0.77 3.81 4.36 0.00 -1.26 -5.04 105.19 105.05 1b3t n GLY 542 Ca 0.06 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1b3t n GLY 542 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b3t s MET 543 N 3.91 3.91 0.32 1.61 -1.94 -1.26 -4.67 119.30 121.18 1b3t s MET 543 Ca 0.00 0.18 -0.12 0.00 -1.71 0.00 0.00 55.69 54.04 1b3t s MET 543 Cb 0.00 -3.28 -0.08 0.00 2.01 0.00 0.00 34.83 33.48 1b3t s MET 543 CO 0.00 0.56 0.70 0.00 -0.01 0.00 0.00 175.02 176.27 1b3t s ALA 544 N -0.56 3.39 0.48 3.03 0.00 -1.26 -5.06 121.76 121.78 1b3t s ALA 544 Ca 0.19 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 1b3t s ALA 544 Cb -0.14 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 1b3t s ALA 544 CO 0.08 0.30 0.83 -1.25 0.00 0.00 0.00 175.76 175.72 1b3t s PRO 545 N -3.15 3.67 0.00 0.00 0.04 -1.26 -4.96 135.00 129.33 1b3t s PRO 545 Ca 0.52 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1b3t s PRO 545 Cb -0.10 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1b3t s PRO 545 CO 0.21 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1b3t n GLY 546 N -1.93 1.07 0.09 0.56 0.00 -1.26 -4.69 105.19 99.03 1b3t n GLY 546 Ca 0.02 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.16 1b3t n GLY 546 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b3t n PRO 547 N 1.48 0.23 -0.27 1.61 -0.04 -1.26 -4.95 135.00 131.80 1b3t n PRO 547 Ca 0.00 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.51 1b3t n PRO 547 Cb 0.00 -1.76 0.12 0.00 -0.04 0.00 0.00 33.50 31.82 1b3t n PRO 547 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b3t n GLY 548 N 1.34 -3.23 3.73 0.55 0.00 -1.26 -5.01 105.19 101.31 1b3t n GLY 548 Ca 0.06 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 1b3t n GLY 548 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b3t s PRO 549 N -3.99 2.36 0.23 1.61 0.04 -1.26 -5.05 135.00 128.93 1b3t s PRO 549 Ca 0.30 1.78 0.06 0.00 0.04 0.00 0.00 61.00 63.19 1b3t s PRO 549 Cb -0.04 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1b3t s PRO 549 CO 0.24 -1.68 0.19 -0.65 0.04 0.00 0.00 177.00 175.14 1b3t s GLN 550 N -3.77 2.95 0.62 4.56 -1.52 -1.26 -4.86 119.66 116.38 1b3t s GLN 550 Ca 0.75 -0.98 -0.18 0.00 -1.95 0.00 0.00 55.36 53.01 1b3t s GLN 550 Cb -0.30 -2.61 -0.02 0.00 -0.22 0.00 0.00 33.01 29.86 1b3t s GLN 550 CO 0.42 0.43 1.18 -1.25 -0.25 0.00 0.00 175.29 175.82 1b3t s PRO 551 N -3.63 2.85 0.51 2.91 0.04 -1.26 -4.95 135.00 131.46 1b3t s PRO 551 Ca 0.32 1.71 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 1b3t s PRO 551 Cb -0.09 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1b3t s PRO 551 CO 0.25 -1.27 1.30 0.20 0.04 0.00 0.00 177.00 177.51 1b3t s GLY 552 N -1.87 2.85 0.59 0.56 0.00 -1.26 -4.89 107.32 103.30 1b3t s GLY 552 Ca 0.74 1.20 0.29 0.00 0.00 0.00 0.00 44.72 46.95 1b3t s GLY 552 CO 0.36 1.71 1.95 -2.55 0.00 0.00 0.00 173.10 174.56 1b3t h PRO 553 N 1.73 0.00 0.00 2.90 0.11 -1.97 -2.44 132.00 132.33 1b3t h PRO 553 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1b3t h PRO 553 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1b3t h PRO 553 CO 0.59 0.00 -0.65 -0.07 -0.21 0.00 0.00 178.00 177.65 1b3t h LEU 554 N 0.00 0.00 -9.50 2.35 3.38 -2.00 -3.48 115.31 106.06 1b3t h LEU 554 Ca 0.19 -0.10 -0.59 0.00 0.09 0.00 0.00 57.88 57.46 1b3t h LEU 554 Cb 1.01 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.83 1b3t h LEU 554 CO -0.00 0.05 0.72 0.54 0.09 0.00 0.00 178.44 179.84 1b3t n ARG 555 N -2.44 2.02 -4.37 1.13 5.12 -0.92 -4.98 116.66 112.22 1b3t n ARG 555 Ca 0.02 0.73 -0.31 0.00 -1.93 0.00 0.00 57.85 56.36 1b3t n ARG 555 Cb 0.49 -2.45 -0.10 0.00 -1.16 0.00 0.00 32.46 29.23 1b3t n ARG 555 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1b3t s GLU 556 N 0.56 2.31 0.61 5.56 -1.05 -1.26 -3.40 118.70 122.02 1b3t s GLU 556 Ca 0.77 -0.89 0.07 0.00 -0.15 0.00 0.00 54.97 54.77 1b3t s GLU 556 Cb -0.70 -2.38 0.10 0.00 -0.44 0.00 0.00 34.13 30.71 1b3t s GLU 556 CO 0.41 0.55 0.84 -1.54 0.95 0.00 0.00 175.26 176.47 1b3t s SER 557 N -1.81 4.93 0.02 0.83 1.04 -0.24 -4.91 113.70 113.56 1b3t s SER 557 Ca 0.19 -0.73 0.27 0.00 0.48 0.00 0.00 55.95 56.16 1b3t s SER 557 Cb -0.11 0.22 0.87 0.00 0.10 0.00 0.00 66.02 67.10 1b3t s SER 557 CO 0.11 -1.46 1.68 -0.38 0.98 0.00 0.00 173.24 174.17 1b3t n ILE 558 N -2.38 0.07 -2.27 -1.02 2.08 -1.26 -4.49 119.36 110.09 1b3t n ILE 558 Ca 0.15 -0.04 -0.42 0.00 0.56 0.00 0.00 62.75 63.01 1b3t n ILE 558 Cb 0.61 -0.20 -0.03 0.00 -0.75 0.00 0.00 39.64 39.28 1b3t n ILE 558 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1b3t s VAL 559 N -3.02 3.62 0.32 1.39 1.01 -1.26 -4.90 120.40 117.55 1b3t s VAL 559 Ca 0.12 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.31 1b3t s VAL 559 Cb 0.18 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1b3t s VAL 559 CO 0.61 0.08 0.40 0.00 0.00 0.00 0.00 175.10 176.19 1b3t s TYR 561 N -2.18 0.09 0.16 0.00 -0.85 -0.45 -2.04 117.35 112.08 1b3t s TYR 561 Ca 0.42 -0.45 -0.14 0.00 -0.52 0.00 0.00 57.07 56.38 1b3t s TYR 561 Cb -0.08 0.29 0.02 0.00 0.38 0.00 0.00 41.96 42.56 1b3t s TYR 561 CO 0.29 -0.93 0.39 -0.59 -1.52 0.00 0.00 175.55 173.19 1b3t s PHE 562 N -3.93 0.05 -0.02 -3.49 -0.12 -0.44 -1.84 117.98 108.18 1b3t s PHE 562 Ca 0.14 -0.40 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 1b3t s PHE 562 Cb -0.01 0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.55 1b3t s PHE 562 CO 0.02 -0.77 -0.18 -1.64 -0.05 0.00 0.00 175.22 172.59 1b3t s MET 563 N -3.89 1.60 -0.22 1.99 -1.94 -1.26 -1.55 119.30 114.02 1b3t s MET 563 Ca 0.10 -0.66 -0.05 0.00 -1.71 0.00 0.00 55.69 53.36 1b3t s MET 563 Cb 0.02 -1.50 -0.02 0.00 2.01 0.00 0.00 34.83 35.34 1b3t s MET 563 CO -0.05 0.36 0.01 0.08 -0.01 0.00 0.00 175.02 175.42 1b3t s VAL 564 N -0.32 3.90 -0.09 -6.03 1.01 0.03 -2.73 120.40 116.17 1b3t s VAL 564 Ca 0.04 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1b3t s VAL 564 Cb -0.08 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1b3t s VAL 564 CO 0.00 0.39 0.29 -0.36 0.00 0.00 0.00 175.10 175.42 1b3t s PHE 565 N 1.37 3.60 0.08 5.22 0.08 -0.03 -0.98 117.98 127.32 1b3t s PHE 565 Ca 0.05 0.71 0.03 0.00 0.12 0.00 0.00 56.93 57.84 1b3t s PHE 565 Cb -0.15 -2.20 -0.03 0.00 -0.57 0.00 0.00 43.02 40.07 1b3t s PHE 565 CO 0.01 0.53 -0.09 -0.51 -0.10 0.00 0.00 175.22 175.06 1b3t s LEU 566 N -0.52 2.36 0.37 -0.37 1.43 0.07 -2.04 118.68 119.97 1b3t s LEU 566 Ca 0.18 -0.74 0.23 0.00 -1.03 0.00 0.00 54.13 52.78 1b3t s LEU 566 Cb -0.14 -0.23 0.33 0.00 0.03 0.00 0.00 46.19 46.18 1b3t s LEU 566 CO 0.07 -0.26 1.52 1.56 0.23 0.00 0.00 176.35 179.47 1b3t h GLN 567 N 3.84 0.00 -5.12 1.70 4.20 -1.76 -2.55 115.11 115.42 1b3t h GLN 567 Ca -0.37 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.97 1b3t h GLN 567 Cb 1.19 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.75 1b3t h GLN 567 CO 0.50 0.00 -0.77 0.95 -0.67 0.00 0.00 178.83 178.84 1b3t s THR 568 N -3.22 0.95 0.18 -0.54 -4.23 -1.26 -4.46 115.64 103.05 1b3t s THR 568 Ca 0.06 -1.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 1b3t s THR 568 Cb 0.07 -0.93 -0.13 0.00 1.34 0.00 0.00 72.50 72.85 1b3t s THR 568 CO 0.68 -0.25 1.41 -0.74 -0.54 0.00 0.00 174.62 175.19 1b3t h HIS 569 N 4.42 0.37 -0.40 3.99 2.76 -1.93 -2.93 115.15 121.42 1b3t h HIS 569 Ca -0.39 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.60 1b3t h HIS 569 Cb 1.19 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 30.09 1b3t h HIS 569 CO 0.63 0.96 0.26 0.82 -1.30 0.00 0.00 177.93 179.30 1b3t h ILE 570 N 0.16 1.11 0.00 6.26 1.08 -1.96 -1.99 117.51 122.16 1b3t h ILE 570 Ca -0.04 -0.20 -0.10 0.00 -0.39 0.00 0.00 64.86 64.14 1b3t h ILE 570 Cb 1.41 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 1b3t h ILE 570 CO 0.13 0.10 -0.45 0.15 -0.69 0.00 0.00 178.15 177.39 1b3t h PHE 571 N 0.54 0.00 -0.33 1.37 3.57 -1.77 -2.08 116.94 118.25 1b3t h PHE 571 Ca 0.15 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 1b3t h PHE 571 Cb -0.06 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1b3t h PHE 571 CO -0.05 0.45 -0.29 0.00 -2.23 0.00 0.00 178.31 176.19 1b3t h ALA 572 N 1.55 0.47 -0.78 2.41 0.00 -1.32 0.94 119.26 122.53 1b3t h ALA 572 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1b3t h ALA 572 Cb 0.87 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1b3t h ALA 572 CO 0.06 0.50 0.37 1.49 0.00 0.00 0.00 179.25 181.67 1b3t h GLU 573 N 0.55 1.12 -0.15 0.00 4.57 -1.15 -0.14 114.58 119.38 1b3t h GLU 573 Ca 0.06 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 57.97 1b3t h GLU 573 Cb 0.87 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1b3t h GLU 573 CO 0.07 0.86 -0.30 0.28 -1.18 0.00 0.00 179.01 178.75 1b3t h VAL 574 N 1.11 1.36 -0.93 0.32 2.07 -1.25 -3.00 116.25 115.93 1b3t h VAL 574 Ca 0.27 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1b3t h VAL 574 Cb 0.11 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 1b3t h VAL 574 CO -0.03 0.47 0.61 0.25 0.02 0.00 0.00 177.57 178.88 1b3t h LEU 575 N 0.08 1.04 -0.32 2.57 6.46 -0.46 -2.30 115.31 122.39 1b3t h LEU 575 Ca 0.00 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1b3t h LEU 575 Cb 0.89 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1b3t h LEU 575 CO 0.07 0.74 0.19 0.50 -0.62 0.00 0.00 178.44 179.31 1b3t h LYS 576 N 1.22 0.38 -0.81 1.25 3.64 -1.03 -2.08 116.57 119.14 1b3t h LYS 576 Ca 0.35 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1b3t h LYS 576 Cb -0.08 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1b3t h LYS 576 CO -0.10 0.25 0.50 -0.44 -2.27 0.00 0.00 179.45 177.40 1b3t h ASP 577 N 0.39 0.97 -0.50 4.20 3.32 -1.34 -1.60 116.42 121.85 1b3t h ASP 577 Ca 0.12 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1b3t h ASP 577 Cb -0.02 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1b3t h ASP 577 CO -0.05 0.74 -0.03 0.00 -1.72 0.00 0.00 179.24 178.18 1b3t h ALA 578 N 1.27 0.68 -0.26 3.45 0.00 -1.26 -0.31 119.26 122.83 1b3t h ALA 578 Ca 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1b3t h ALA 578 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1b3t h ALA 578 CO -0.06 0.52 -0.07 0.82 0.00 0.00 0.00 179.25 180.46 1b3t h ILE 579 N 0.77 1.29 -0.65 0.00 2.04 -1.21 0.99 117.51 120.73 1b3t h ILE 579 Ca 0.14 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1b3t h ILE 579 Cb 0.56 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1b3t h ILE 579 CO 0.03 0.34 0.41 0.11 0.00 0.00 0.00 178.15 179.04 1b3t h LYS 580 N 0.25 0.88 -0.49 2.37 1.79 -1.24 -1.88 116.57 118.24 1b3t h LYS 580 Ca 0.06 -0.07 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1b3t h LYS 580 Cb 0.55 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1b3t h LYS 580 CO 0.03 0.61 -0.04 -0.44 -1.08 0.00 0.00 179.45 178.53 1b3t h ASP 581 N 0.88 0.81 -0.37 0.86 3.32 -0.82 -2.09 116.42 119.02 1b3t h ASP 581 Ca 0.24 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1b3t h ASP 581 Cb -0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1b3t h ASP 581 CO -0.05 0.90 0.05 0.25 -1.72 0.00 0.00 179.24 178.67 1b3t h LEU 582 N 0.77 0.59 -0.00 1.55 7.12 -0.53 -3.28 115.31 121.53 1b3t h LEU 582 Ca 0.14 -0.27 -0.08 0.00 0.13 0.00 0.00 57.88 57.80 1b3t h LEU 582 Cb 0.51 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.47 1b3t h LEU 582 CO 0.03 0.72 -0.40 0.58 -0.13 0.00 0.00 178.44 179.23 1b3t h VAL 583 N 0.45 0.69 0.00 1.05 2.07 -1.30 -3.36 116.25 115.84 1b3t h VAL 583 Ca 0.11 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1b3t h VAL 583 Cb 0.38 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1b3t h VAL 583 CO 0.01 0.39 0.00 1.15 0.02 0.00 0.00 177.57 179.14 1b3t n MET 584 N -3.20 0.19 0.04 1.57 0.00 -0.79 -2.52 117.12 112.41 1b3t n MET 584 Ca 0.02 0.39 0.12 0.00 0.00 0.00 0.00 57.70 58.23 1b3t n MET 584 Cb 0.69 -1.85 0.14 0.00 0.00 0.00 0.00 33.22 32.21 1b3t n MET 584 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1b3t n THR 585 N -2.20 0.22 -2.69 3.17 -2.24 -1.26 -4.97 114.28 104.31 1b3t n THR 585 Ca 0.03 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 1b3t n THR 585 Cb 0.25 0.06 0.02 0.00 -2.10 0.00 0.00 70.33 68.57 1b3t n THR 585 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1b3t s LYS 586 N -3.14 2.99 0.93 -0.78 1.02 -1.05 -5.09 119.74 114.62 1b3t s LYS 586 Ca 0.07 -0.26 -0.13 0.00 0.02 0.00 0.00 55.97 55.67 1b3t s LYS 586 Cb 0.15 -2.42 0.15 0.00 -0.52 0.00 0.00 37.83 35.19 1b3t s LYS 586 CO 0.74 -0.49 1.15 -2.14 -0.92 0.00 0.00 175.35 173.69 1b3t s PRO 587 N -4.77 0.98 0.56 -1.68 0.02 -1.26 -4.18 135.00 124.66 1b3t s PRO 587 Ca 0.51 0.21 -0.19 0.00 0.02 0.00 0.00 61.00 61.56 1b3t s PRO 587 Cb -0.10 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 1b3t s PRO 587 CO 0.41 -2.29 1.11 0.00 -0.33 0.00 0.00 177.00 175.90 1b3t s ALA 588 N -3.31 2.69 -1.47 -1.55 0.00 -1.26 -2.26 121.76 114.60 1b3t s ALA 588 Ca 0.65 0.71 0.26 0.00 0.00 0.00 0.00 51.96 53.59 1b3t s ALA 588 Cb -0.14 -3.33 0.76 0.00 0.00 0.00 0.00 23.12 20.42 1b3t s ALA 588 CO 0.53 -0.78 1.57 -0.35 0.00 0.00 0.00 175.76 176.74 1b3t n PRO 589 N -1.48 0.52 -0.34 0.00 -0.04 -1.26 -4.87 135.00 127.53 1b3t n PRO 589 Ca 0.11 -0.28 0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1b3t n PRO 589 Cb 0.51 -1.49 0.22 0.00 -0.04 0.00 0.00 33.50 32.70 1b3t n PRO 589 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1b3t h THR 590 N 0.68 1.03 0.00 0.52 2.02 -1.81 -0.30 112.91 115.06 1b3t h THR 590 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1b3t h THR 590 Cb 0.48 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1b3t h THR 590 CO 0.00 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.08 1b3t n ASN 592 N -1.86 0.95 -4.76 0.00 3.02 -0.12 -4.77 115.26 107.71 1b3t n ASN 592 Ca 0.02 -1.10 -0.41 0.00 -0.03 0.00 0.00 54.58 53.06 1b3t n ASN 592 Cb 0.18 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.33 1b3t n ASN 592 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1b3t s ILE 593 N -2.20 2.80 0.02 2.41 1.01 -0.91 -3.52 121.20 120.81 1b3t s ILE 593 Ca 0.35 0.74 0.04 0.00 0.00 0.00 0.00 60.65 61.78 1b3t s ILE 593 Cb 0.21 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1b3t s ILE 593 CO 0.41 0.15 -0.08 -0.13 0.00 0.00 0.00 174.94 175.29 1b3t s ARG 594 N -1.16 2.44 -0.01 2.79 1.81 0.13 -4.93 118.95 120.02 1b3t s ARG 594 Ca 0.53 -0.79 0.02 0.00 -1.72 0.00 0.00 55.73 53.76 1b3t s ARG 594 Cb -0.40 -2.44 -0.00 0.00 -0.45 0.00 0.00 34.95 31.66 1b3t s ARG 594 CO 0.48 0.58 -0.05 0.08 -0.68 0.00 0.00 175.30 175.71 1b3t s VAL 595 N -1.02 0.42 -0.03 3.52 1.01 -1.26 -1.02 120.40 122.01 1b3t s VAL 595 Ca 0.18 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 1b3t s VAL 595 Cb -0.11 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1b3t s VAL 595 CO 0.08 0.13 0.18 0.28 0.00 0.00 0.00 175.10 175.77 1b3t s THR 596 N -0.04 0.05 0.17 3.92 -1.32 -0.80 -5.00 115.64 112.62 1b3t s THR 596 Ca 0.01 -0.42 -0.27 0.00 -1.21 0.00 0.00 61.69 59.80 1b3t s THR 596 Cb -0.03 -0.40 -0.08 0.00 -1.51 0.00 0.00 72.50 70.48 1b3t s THR 596 CO -0.00 -0.23 0.84 -0.69 -2.21 0.00 0.00 174.62 172.33 1b3t s VAL 597 N -0.84 4.33 -0.15 5.08 1.01 -1.26 -1.14 120.40 127.43 1b3t s VAL 597 Ca -0.09 1.84 -0.00 0.00 0.00 0.00 0.00 61.98 63.73 1b3t s VAL 597 Cb -0.05 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1b3t s VAL 597 CO 0.01 0.48 -0.14 0.00 0.00 0.00 0.00 175.10 175.46 1b3t s SER 599 N 0.74 4.30 -0.47 0.00 0.01 -1.26 -0.51 113.70 116.51 1b3t s SER 599 Ca -0.06 -0.54 -0.23 0.00 1.31 0.00 0.00 55.95 56.43 1b3t s SER 599 Cb -0.15 -1.72 0.03 0.00 0.21 0.00 0.00 66.02 64.39 1b3t s SER 599 CO 0.01 -0.06 0.78 -0.36 0.41 0.00 0.00 173.24 174.02 1b3t s PHE 600 N 1.44 2.97 0.16 2.43 0.08 -0.62 -4.95 117.98 119.50 1b3t s PHE 600 Ca 0.04 0.04 -0.16 0.00 0.12 0.00 0.00 56.93 56.98 1b3t s PHE 600 Cb -0.15 -3.68 0.10 0.00 -0.57 0.00 0.00 43.02 38.72 1b3t s PHE 600 CO -0.04 -1.04 1.71 -0.44 -0.10 0.00 0.00 175.22 175.32 1b3t h ASP 601 N 9.03 -0.07 -0.55 1.36 5.19 -1.98 -2.38 116.42 127.01 1b3t h ASP 601 Ca -0.25 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1b3t h ASP 601 Cb 1.09 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1b3t h ASP 601 CO 0.97 -0.00 0.00 0.47 -3.12 0.00 0.00 179.24 177.56 1b3t n ASP 602 N -5.14 4.34 -0.83 6.45 8.00 -1.26 -5.07 116.55 123.03 1b3t n ASP 602 Ca 0.02 -2.43 0.11 0.00 0.71 0.00 0.00 54.79 53.20 1b3t n ASP 602 Cb 0.19 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.74 1b3t n ASP 602 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b3t n GLY 603 N 0.84 -2.24 3.03 0.44 0.00 -0.90 -4.88 105.19 101.47 1b3t n GLY 603 Ca 0.23 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 1b3t n GLY 603 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b3t s VAL 604 N -2.57 1.43 -1.20 1.61 1.01 -0.27 -5.00 120.40 115.41 1b3t s VAL 604 Ca 0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 1b3t s VAL 604 Cb 0.00 -1.33 0.14 0.00 0.00 0.00 0.00 36.38 35.19 1b3t s VAL 604 CO 0.00 0.43 1.48 -1.81 0.00 0.00 0.00 175.10 175.20 1b3t s ASP 605 N 1.11 6.96 0.30 3.32 1.01 -1.26 -4.16 116.67 123.96 1b3t s ASP 605 Ca -0.04 -2.74 -0.30 0.00 0.71 0.00 0.00 52.55 50.18 1b3t s ASP 605 Cb -0.14 -2.45 -0.12 0.00 1.01 0.00 0.00 42.92 41.22 1b3t s ASP 605 CO -0.03 -0.90 1.58 0.18 0.21 0.00 0.00 175.17 176.21 1b3t n LEU 606 N 6.48 4.39 0.00 1.23 4.77 -1.26 -5.16 117.00 127.45 1b3t n LEU 606 Ca 0.39 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.52 1b3t n LEU 606 Cb 0.44 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 1b3t n LEU 606 CO 0.65 0.15 0.12 -0.81 -1.33 0.00 0.00 177.39 176.17