#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pt3 n PRO 450 N 0.00 0.79 -2.66 -1.58 -0.04 -1.25 -4.64 135.00 125.62 1pt3 n PRO 450 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1pt3 n PRO 450 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1pt3 n PRO 450 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pt3 n GLY 451 N 1.72 -1.11 3.41 0.55 0.00 -0.76 -4.95 105.19 104.06 1pt3 n GLY 451 Ca 0.00 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1pt3 n GLY 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pt3 s LYS 452 N -1.83 1.58 0.73 1.61 -0.14 -1.26 -1.85 119.74 118.57 1pt3 s LYS 452 Ca 0.00 -1.26 -0.11 0.00 -1.36 0.00 0.00 55.97 53.24 1pt3 s LYS 452 Cb 0.00 -1.98 0.03 0.00 -1.68 0.00 0.00 37.83 34.20 1pt3 s LYS 452 CO 0.00 0.47 1.08 0.00 -0.76 0.00 0.00 175.35 176.14 1pt3 s ALA 453 N -1.04 2.60 -0.14 5.17 0.00 -1.14 -4.72 121.76 122.49 1pt3 s ALA 453 Ca 0.15 -0.14 -0.34 0.00 0.00 0.00 0.00 51.96 51.62 1pt3 s ALA 453 Cb -0.10 -3.10 0.13 0.00 0.00 0.00 0.00 23.12 20.05 1pt3 s ALA 453 CO 0.06 -1.35 1.25 -0.08 0.00 0.00 0.00 175.76 175.65 1pt3 s THR 454 N -3.17 0.00 0.00 0.00 -1.32 -0.86 -1.71 115.64 108.58 1pt3 s THR 454 Ca 0.59 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 1pt3 s THR 454 Cb -0.13 -1.32 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 1pt3 s THR 454 CO 0.54 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 1pt3 n GLY 455 N -0.21 3.55 0.08 6.08 0.00 -1.26 0.21 105.19 113.63 1pt3 n GLY 455 Ca -0.02 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 1pt3 n GLY 455 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pt3 h LYS 456 N 0.00 0.00 0.00 1.61 3.64 -1.95 -3.44 116.57 116.43 1pt3 h LYS 456 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pt3 h LYS 456 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1pt3 h LYS 456 CO 0.00 0.90 0.00 0.41 -2.27 0.00 0.00 179.45 178.49 1pt3 n GLY 457 N 1.54 -0.31 3.25 5.01 0.00 -1.26 -4.53 105.19 108.88 1pt3 n GLY 457 Ca -0.19 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 1pt3 n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pt3 s LYS 458 N -2.14 1.08 0.04 1.61 1.02 -1.03 -4.60 119.74 115.71 1pt3 s LYS 458 Ca 0.00 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.63 1pt3 s LYS 458 Cb 0.00 -1.25 -0.07 0.00 -0.52 0.00 0.00 37.83 35.99 1pt3 s LYS 458 CO 0.00 0.29 1.52 -2.14 -0.92 0.00 0.00 175.35 174.11 1pt3 s PRO 459 N -1.72 4.24 -0.05 -1.68 0.02 -1.26 -1.41 135.00 133.14 1pt3 s PRO 459 Ca 0.04 2.15 -0.00 0.00 0.02 0.00 0.00 61.00 63.21 1pt3 s PRO 459 Cb -0.10 -3.58 -0.03 0.00 0.02 0.00 0.00 34.50 30.81 1pt3 s PRO 459 CO 0.03 -0.65 -0.01 0.14 -0.33 0.00 0.00 177.00 176.18 1pt3 s VAL 460 N 2.48 4.15 0.00 3.83 -7.23 -1.26 -4.98 120.40 117.40 1pt3 s VAL 460 Ca 0.69 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1pt3 s VAL 460 Cb -0.36 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 33.81 1pt3 s VAL 460 CO 0.29 0.52 0.00 -0.46 -0.31 0.00 0.00 175.10 175.14 1pt3 n ASN 461 N 1.88 0.00 -0.01 4.85 6.94 -1.26 -4.97 115.26 122.69 1pt3 n ASN 461 Ca -0.17 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.50 1pt3 n ASN 461 Cb 0.53 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 38.01 1pt3 n ASN 461 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1pt3 n ASN 462 N 0.00 0.78 -2.31 0.53 6.94 -1.26 -4.20 115.26 115.75 1pt3 n ASN 462 Ca 0.00 -0.66 -0.28 0.00 -0.02 0.00 0.00 54.58 53.62 1pt3 n ASN 462 Cb 0.00 0.64 0.02 0.00 -2.36 0.00 0.00 39.78 38.08 1pt3 n ASN 462 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1pt3 n LYS 463 N -1.48 3.38 0.00 -3.83 5.02 -1.26 -4.90 118.16 115.10 1pt3 n LYS 463 Ca 0.05 -4.16 0.00 0.00 -2.02 0.00 0.00 58.31 52.18 1pt3 n LYS 463 Cb 0.33 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 1pt3 n LYS 463 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1pt3 n TRP 464 N -0.63 0.00 -1.16 2.13 -0.00 -1.26 -1.73 117.44 114.80 1pt3 n TRP 464 Ca 0.45 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.71 1pt3 n TRP 464 Cb 0.76 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.96 1pt3 n TRP 464 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1pt3 n LEU 465 N -0.41 6.81 -0.69 5.87 4.77 -1.26 -4.26 117.00 127.82 1pt3 n LEU 465 Ca 0.00 -3.73 0.11 0.00 -0.03 0.00 0.00 56.01 52.37 1pt3 n LEU 465 Cb 0.00 -1.48 0.04 0.00 -2.33 0.00 0.00 43.42 39.65 1pt3 n LEU 465 CO 0.00 1.87 0.44 -3.20 -1.33 0.00 0.00 177.39 175.17 1pt3 n ASN 466 N 2.92 2.43 -0.23 -1.43 2.85 -0.71 -4.14 115.26 116.95 1pt3 n ASN 466 Ca 0.59 -1.72 0.02 0.00 -0.11 0.00 0.00 54.58 53.36 1pt3 n ASN 466 Cb 0.61 0.27 0.02 0.00 1.24 0.00 0.00 39.78 41.93 1pt3 n ASN 466 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1pt3 n ASN 467 N 0.56 0.64 0.00 1.20 6.94 -1.26 -4.78 115.26 118.56 1pt3 n ASN 467 Ca 0.11 -1.90 0.03 0.00 -0.02 0.00 0.00 54.58 52.80 1pt3 n ASN 467 Cb 0.52 -0.16 0.13 0.00 -2.36 0.00 0.00 39.78 37.91 1pt3 n ASN 467 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pt3 n ALA 468 N -0.31 1.32 -0.93 -2.53 0.00 -1.26 -1.52 120.51 115.28 1pt3 n ALA 468 Ca 0.03 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1pt3 n ALA 468 Cb 0.58 -1.10 0.36 0.00 0.00 0.00 0.00 19.45 19.30 1pt3 n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pt3 n GLY 469 N -0.86 3.32 3.13 0.00 0.00 -1.26 -0.94 105.19 108.58 1pt3 n GLY 469 Ca 0.02 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1pt3 n GLY 469 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pt3 s LYS 470 N -2.79 0.40 6.22 1.61 2.20 -0.58 -4.82 119.74 121.99 1pt3 s LYS 470 Ca 0.51 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 1pt3 s LYS 470 Cb 0.40 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.89 1pt3 s LYS 470 CO 0.14 -0.08 0.00 -0.25 -0.36 0.00 0.00 175.35 174.80 1pt3 n ASP 471 N 2.24 0.00 -0.27 1.43 8.00 -1.26 -1.44 116.55 125.24 1pt3 n ASP 471 Ca -0.17 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.35 1pt3 n ASP 471 Cb 0.57 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.73 1pt3 n ASP 471 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pt3 n LEU 472 N 0.00 2.36 0.00 0.64 4.32 -1.26 -4.99 117.00 118.06 1pt3 n LEU 472 Ca 0.00 -1.96 0.03 0.00 -0.02 0.00 0.00 56.01 54.05 1pt3 n LEU 472 Cb 0.00 -0.09 -0.01 0.00 -1.62 0.00 0.00 43.42 41.70 1pt3 n LEU 472 CO 0.00 0.59 -0.04 0.61 -1.22 0.00 0.00 177.39 177.33 1pt3 n GLY 473 N -0.06 -2.06 3.78 -0.72 0.00 -0.52 -4.35 105.19 101.26 1pt3 n GLY 473 Ca 0.05 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 1pt3 n GLY 473 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pt3 s SER 474 N -3.48 5.94 0.79 1.61 0.01 -1.01 -4.76 113.70 112.80 1pt3 s SER 474 Ca 0.00 2.14 -0.09 0.00 1.31 0.00 0.00 55.95 59.31 1pt3 s SER 474 Cb 0.00 -2.58 0.11 0.00 0.21 0.00 0.00 66.02 63.76 1pt3 s SER 474 CO 0.00 -1.06 1.12 -2.16 0.41 0.00 0.00 173.24 171.55 1pt3 s PRO 475 N -3.16 1.72 -0.44 12.44 0.04 -1.26 -1.42 135.00 142.92 1pt3 s PRO 475 Ca 0.70 -0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.15 1pt3 s PRO 475 Cb -0.23 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.27 1pt3 s PRO 475 CO 0.27 -1.62 1.24 0.08 0.04 0.00 0.00 177.00 177.00 1pt3 s VAL 476 N -3.47 4.11 0.02 -0.36 1.01 -1.25 -4.80 120.40 115.67 1pt3 s VAL 476 Ca 0.64 1.15 -0.38 0.00 0.00 0.00 0.00 61.98 63.40 1pt3 s VAL 476 Cb -0.09 -4.43 -0.17 0.00 0.00 0.00 0.00 36.38 31.69 1pt3 s VAL 476 CO 0.48 -0.87 1.36 -2.65 0.00 0.00 0.00 175.10 173.42 1pt3 n PRO 477 N 7.85 1.00 -0.21 2.72 -0.02 -1.26 -2.48 135.00 142.60 1pt3 n PRO 477 Ca 0.14 0.36 -0.02 0.00 -2.02 0.00 0.00 63.50 61.96 1pt3 n PRO 477 Cb 0.48 -1.99 0.05 0.00 -0.02 0.00 0.00 33.50 32.02 1pt3 n PRO 477 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1pt3 h ASP 478 N 4.70 -0.76 -0.77 2.55 -0.00 -1.47 0.33 116.42 121.01 1pt3 h ASP 478 Ca -0.48 0.20 0.14 0.00 -0.00 0.00 0.00 57.03 56.89 1pt3 h ASP 478 Cb 1.34 0.45 -0.09 0.00 -0.00 0.00 0.00 39.33 41.03 1pt3 h ASP 478 CO 0.79 -0.24 0.34 0.03 -0.00 0.00 0.00 179.24 180.16 1pt3 h ARG 479 N -0.05 0.50 -0.20 4.15 3.08 -1.88 0.30 114.38 120.28 1pt3 h ARG 479 Ca 0.29 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.18 1pt3 h ARG 479 Cb 0.50 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1pt3 h ARG 479 CO -0.67 0.33 -0.43 0.82 -1.07 0.00 0.00 179.97 178.95 1pt3 h ILE 480 N 0.51 1.31 -0.03 2.04 1.08 -1.17 -1.85 117.51 119.39 1pt3 h ILE 480 Ca 0.42 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 1pt3 h ILE 480 Cb 0.60 1.62 -0.00 0.00 -3.07 0.00 0.00 36.82 35.97 1pt3 h ILE 480 CO -0.37 0.50 0.02 0.00 -0.69 0.00 0.00 178.15 177.61 1pt3 h ALA 481 N 1.15 0.04 0.39 1.87 0.00 0.28 -1.43 119.26 121.56 1pt3 h ALA 481 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pt3 h ALA 481 Cb 0.91 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1pt3 h ALA 481 CO 0.08 -0.45 -0.21 -0.91 0.00 0.00 0.00 179.25 177.76 1pt3 h ASN 482 N 0.02 -0.51 -0.00 0.00 2.35 -0.48 0.71 115.58 117.67 1pt3 h ASN 482 Ca 0.01 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1pt3 h ASN 482 Cb 0.02 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 1pt3 h ASN 482 CO -0.00 -0.35 0.08 0.50 -1.65 0.00 0.00 177.43 176.01 1pt3 h LYS 483 N -0.56 0.00 0.00 0.81 1.63 -1.27 -2.56 116.57 114.62 1pt3 h LYS 483 Ca -0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1pt3 h LYS 483 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1pt3 h LYS 483 CO 0.07 0.00 -1.52 1.28 -3.45 0.00 0.00 179.45 175.83 1pt3 n LEU 484 N -3.08 0.06 -4.36 5.20 4.77 -0.55 -5.03 117.00 114.02 1pt3 n LEU 484 Ca -0.03 -0.05 -0.58 0.00 -0.03 0.00 0.00 56.01 55.32 1pt3 n LEU 484 Cb 0.14 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1pt3 n LEU 484 CO 0.19 0.02 0.66 -1.14 -1.33 0.00 0.00 177.39 175.78 1pt3 n ARG 485 N -1.90 0.00 -2.93 3.23 0.63 0.24 -3.61 116.66 112.32 1pt3 n ARG 485 Ca -0.02 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.83 1pt3 n ARG 485 Cb 0.34 -1.44 0.01 0.00 0.45 0.00 0.00 32.46 31.82 1pt3 n ARG 485 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pt3 n ASP 486 N 1.91 -7.50 -3.81 6.15 8.00 -0.70 -4.92 116.55 115.68 1pt3 n ASP 486 Ca 0.21 0.77 -0.13 0.00 0.71 0.00 0.00 54.79 56.35 1pt3 n ASP 486 Cb 0.05 -4.41 -0.12 0.00 -0.02 0.00 0.00 41.12 36.61 1pt3 n ASP 486 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1pt3 s LYS 487 N -2.03 0.19 -0.29 -1.24 -0.14 -1.24 -4.79 119.74 110.21 1pt3 s LYS 487 Ca 0.14 0.26 -0.28 0.00 -1.36 0.00 0.00 55.97 54.73 1pt3 s LYS 487 Cb -0.03 0.07 -0.03 0.00 -1.68 0.00 0.00 37.83 36.16 1pt3 s LYS 487 CO 0.69 -0.04 1.89 -2.00 -0.76 0.00 0.00 175.35 175.14 1pt3 s GLU 488 N 0.20 3.34 -0.09 1.68 2.12 -1.26 -2.89 118.70 121.79 1pt3 s GLU 488 Ca -0.01 1.62 0.04 0.00 0.36 0.00 0.00 54.97 56.98 1pt3 s GLU 488 Cb -0.02 -4.23 -0.00 0.00 0.26 0.00 0.00 34.13 30.14 1pt3 s GLU 488 CO -0.00 -1.86 -0.23 -0.06 -0.54 0.00 0.00 175.26 172.57 1pt3 s PHE 489 N 7.06 2.55 -0.22 5.30 0.08 -0.77 -5.03 117.98 126.96 1pt3 s PHE 489 Ca 0.85 -0.93 0.17 0.00 0.12 0.00 0.00 56.93 57.14 1pt3 s PHE 489 Cb -0.26 -1.69 0.10 0.00 -0.57 0.00 0.00 43.02 40.60 1pt3 s PHE 489 CO 0.34 -0.35 1.38 0.87 -0.10 0.00 0.00 175.22 177.36 1pt3 h LYS 490 N 6.54 0.00 -2.03 0.44 1.57 -1.93 -2.03 116.57 119.13 1pt3 h LYS 490 Ca -0.23 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1pt3 h LYS 490 Cb 1.22 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.36 1pt3 h LYS 490 CO 0.48 0.33 0.54 -1.54 -0.57 0.00 0.00 179.45 178.69 1pt3 s SER 491 N -6.25 -0.34 0.53 0.86 1.04 -1.26 -3.76 113.70 104.51 1pt3 s SER 491 Ca 0.04 0.10 0.23 0.00 0.48 0.00 0.00 55.95 56.79 1pt3 s SER 491 Cb 0.07 0.34 1.44 0.00 0.10 0.00 0.00 66.02 67.97 1pt3 s SER 491 CO 0.74 -0.52 2.13 0.15 0.98 0.00 0.00 173.24 176.72 1pt3 h PHE 492 N 2.13 0.00 -0.58 5.02 -0.00 -1.90 -0.64 116.94 120.97 1pt3 h PHE 492 Ca -0.20 0.00 0.03 0.00 -0.00 0.00 0.00 57.97 57.81 1pt3 h PHE 492 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.12 1pt3 h PHE 492 CO 0.27 0.08 0.34 0.22 -0.00 0.00 0.00 178.31 179.22 1pt3 h ASP 493 N 0.00 0.54 -0.68 0.41 1.82 -2.00 -1.51 116.42 115.01 1pt3 h ASP 493 Ca -0.00 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.60 1pt3 h ASP 493 Cb 0.17 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.05 1pt3 h ASP 493 CO 0.01 0.37 0.22 0.44 -1.61 0.00 0.00 179.24 178.67 1pt3 h ASP 494 N 0.67 1.00 -0.78 2.28 3.32 -1.52 -2.69 116.42 118.70 1pt3 h ASP 494 Ca 0.24 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1pt3 h ASP 494 Cb 0.07 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1pt3 h ASP 494 CO -0.12 0.93 0.41 0.15 -1.72 0.00 0.00 179.24 178.89 1pt3 h PHE 495 N 1.03 1.10 -0.17 4.55 3.04 -0.95 -2.14 116.94 123.40 1pt3 h PHE 495 Ca 0.23 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.16 1pt3 h PHE 495 Cb 0.29 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 38.44 1pt3 h PHE 495 CO 0.02 0.78 0.07 -0.09 -2.02 0.00 0.00 178.31 177.06 1pt3 h ARG 496 N 1.11 0.15 0.10 1.11 2.43 -0.96 0.13 114.38 118.44 1pt3 h ARG 496 Ca 0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1pt3 h ARG 496 Cb 0.06 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1pt3 h ARG 496 CO -0.04 0.10 -0.26 0.87 -1.51 0.00 0.00 179.97 179.13 1pt3 h LYS 497 N 0.15 -0.38 -0.70 0.20 1.57 -1.35 -1.03 116.57 115.03 1pt3 h LYS 497 Ca 0.07 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 1pt3 h LYS 497 Cb 0.03 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1pt3 h LYS 497 CO -0.06 -0.26 0.47 0.87 -0.57 0.00 0.00 179.45 179.90 1pt3 h LYS 498 N -0.40 0.44 0.77 3.15 1.79 -1.31 -1.40 116.57 119.61 1pt3 h LYS 498 Ca -0.01 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1pt3 h LYS 498 Cb 0.39 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1pt3 h LYS 498 CO -0.12 0.29 -0.37 0.35 -1.08 0.00 0.00 179.45 178.53 1pt3 h PHE 499 N 0.46 -0.96 0.00 -1.35 3.57 -0.27 -0.59 116.94 117.80 1pt3 h PHE 499 Ca 0.33 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1pt3 h PHE 499 Cb 0.68 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1pt3 h PHE 499 CO -0.00 -0.59 -0.16 -1.49 -2.23 0.00 0.00 178.31 173.84 1pt3 h TRP 500 N -1.08 0.00 -0.07 0.41 4.06 -0.63 -0.05 115.95 118.59 1pt3 h TRP 500 Ca -0.11 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.73 1pt3 h TRP 500 Cb 0.80 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.95 1pt3 h TRP 500 CO -0.01 0.16 -0.48 0.93 -3.56 0.00 0.00 178.44 175.48 1pt3 h GLU 501 N 0.00 0.17 0.00 0.49 5.08 -1.11 -1.93 114.58 117.29 1pt3 h GLU 501 Ca -0.00 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1pt3 h GLU 501 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1pt3 h GLU 501 CO 0.02 0.62 -0.11 0.93 -1.00 0.00 0.00 179.01 179.47 1pt3 h GLU 502 N 0.14 0.00 0.00 2.33 4.39 0.59 -2.97 114.58 119.06 1pt3 h GLU 502 Ca 0.01 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.53 1pt3 h GLU 502 Cb 0.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1pt3 h GLU 502 CO 0.07 0.11 -0.86 0.28 -1.16 0.00 0.00 179.01 177.45 1pt3 h VAL 503 N 0.00 1.60 0.00 3.13 2.07 -0.49 -3.13 116.25 119.44 1pt3 h VAL 503 Ca -0.00 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.61 1pt3 h VAL 503 Cb 0.98 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1pt3 h VAL 503 CO 0.01 0.83 0.00 0.77 0.02 0.00 0.00 177.57 179.21 1pt3 h SER 504 N 0.01 0.00 0.60 0.57 4.64 -1.31 -3.11 113.55 114.95 1pt3 h SER 504 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1pt3 h SER 504 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1pt3 h SER 504 CO 0.11 0.00 -0.34 0.29 -0.87 0.00 0.00 176.83 176.03 1pt3 n LYS 505 N -3.05 0.09 -3.28 4.77 5.02 -1.13 -4.64 118.16 115.94 1pt3 n LYS 505 Ca 0.04 -0.04 -0.46 0.00 -2.02 0.00 0.00 58.31 55.83 1pt3 n LYS 505 Cb 0.52 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 1pt3 n LYS 505 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1pt3 s ASP 506 N -2.94 6.24 0.19 4.39 -1.08 -1.18 -4.97 116.67 117.32 1pt3 s ASP 506 Ca 0.14 -1.81 -0.25 0.00 -0.52 0.00 0.00 52.55 50.11 1pt3 s ASP 506 Cb 0.18 -2.22 0.07 0.00 -1.46 0.00 0.00 42.92 39.48 1pt3 s ASP 506 CO 0.63 -0.88 1.53 -2.65 0.52 0.00 0.00 175.17 174.33 1pt3 n PRO 507 N 5.32 -0.35 -0.33 4.34 -0.02 -1.26 -1.14 135.00 141.56 1pt3 n PRO 507 Ca -0.11 1.51 0.23 0.00 -2.02 0.00 0.00 63.50 63.11 1pt3 n PRO 507 Cb 0.41 -2.23 0.50 0.00 -0.02 0.00 0.00 33.50 32.16 1pt3 n PRO 507 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pt3 h GLU 508 N 0.00 0.39 0.01 -0.52 4.39 -1.94 -2.41 114.58 114.50 1pt3 h GLU 508 Ca 0.24 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.80 1pt3 h GLU 508 Cb 0.49 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1pt3 h GLU 508 CO -0.96 0.26 -0.63 -0.07 -1.16 0.00 0.00 179.01 176.45 1pt3 h LEU 509 N 0.40 0.03 -2.03 1.33 3.38 -1.42 -3.36 115.31 113.65 1pt3 h LEU 509 Ca 0.60 -0.79 0.11 0.00 0.09 0.00 0.00 57.88 57.89 1pt3 h LEU 509 Cb 1.50 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 1pt3 h LEU 509 CO -0.31 1.25 0.39 0.77 0.09 0.00 0.00 178.44 180.63 1pt3 h SER 510 N -0.94 0.00 0.07 -0.43 4.64 -1.03 0.16 113.55 116.02 1pt3 h SER 510 Ca -0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1pt3 h SER 510 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1pt3 h SER 510 CO -0.08 0.00 -0.06 0.11 -0.87 0.00 0.00 176.83 175.93 1pt3 h LYS 511 N 0.00 0.00 0.00 4.77 1.79 -1.58 -2.60 116.57 118.96 1pt3 h LYS 511 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1pt3 h LYS 511 Cb 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1pt3 h LYS 511 CO -0.00 0.06 0.00 1.04 -1.08 0.00 0.00 179.45 179.47 1pt3 n GLN 512 N -4.34 0.96 -4.24 3.15 6.02 0.54 -4.83 117.38 114.63 1pt3 n GLN 512 Ca -0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.77 1pt3 n GLN 512 Cb 0.14 -1.29 -0.12 0.00 1.02 0.00 0.00 30.24 30.00 1pt3 n GLN 512 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1pt3 s PHE 513 N -2.00 1.47 1.24 1.08 0.08 -0.98 -5.12 117.98 113.75 1pt3 s PHE 513 Ca 0.26 -0.50 -0.20 0.00 0.12 0.00 0.00 56.93 56.61 1pt3 s PHE 513 Cb 0.12 -0.78 0.30 0.00 -0.57 0.00 0.00 43.02 42.09 1pt3 s PHE 513 CO 0.20 0.16 1.08 -1.54 -0.10 0.00 0.00 175.22 175.02 1pt3 s SER 514 N -2.24 0.59 0.13 1.36 1.04 -1.26 -4.79 113.70 108.53 1pt3 s SER 514 Ca 0.07 0.67 -0.13 0.00 0.48 0.00 0.00 55.95 57.05 1pt3 s SER 514 Cb -0.07 -0.94 -0.05 0.00 0.10 0.00 0.00 66.02 65.06 1pt3 s SER 514 CO 0.03 -4.33 1.48 -0.09 0.98 0.00 0.00 173.24 171.31 1pt3 h ARG 515 N -2.72 0.85 -0.56 4.02 2.43 -1.99 -2.14 114.38 114.27 1pt3 h ARG 515 Ca -0.45 -0.41 0.04 0.00 -0.81 0.00 0.00 59.98 58.35 1pt3 h ARG 515 Cb 1.30 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 1pt3 h ARG 515 CO 0.33 1.05 0.31 -0.91 -1.51 0.00 0.00 179.97 179.24 1pt3 h ASN 516 N 0.65 0.48 -0.69 -3.80 -0.26 -2.00 0.25 115.58 110.20 1pt3 h ASN 516 Ca 0.07 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.77 1pt3 h ASN 516 Cb 0.85 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 38.00 1pt3 h ASN 516 CO 0.07 0.33 0.21 0.78 -1.06 0.00 0.00 177.43 177.76 1pt3 h ASN 517 N 0.60 1.02 0.37 5.81 2.35 -1.86 -2.48 115.58 121.39 1pt3 h ASN 517 Ca 0.24 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1pt3 h ASN 517 Cb 0.09 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1pt3 h ASN 517 CO -0.14 0.96 -0.34 0.78 -1.65 0.00 0.00 177.43 177.05 1pt3 h ASN 518 N 1.02 0.00 -0.45 5.81 4.21 -0.76 -0.29 115.58 125.12 1pt3 h ASN 518 Ca 0.22 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.72 1pt3 h ASN 518 Cb 0.32 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.50 1pt3 h ASN 518 CO -0.00 0.34 0.23 0.44 -1.29 0.00 0.00 177.43 177.14 1pt3 h ASP 519 N 0.00 0.57 0.37 5.81 3.45 -0.55 -0.87 116.42 125.20 1pt3 h ASP 519 Ca -0.00 -0.11 -0.02 0.00 0.43 0.00 0.00 57.03 57.33 1pt3 h ASP 519 Cb 0.61 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 1pt3 h ASP 519 CO 0.04 0.52 -0.18 0.03 -1.57 0.00 0.00 179.24 178.08 1pt3 h ARG 520 N 0.59 -0.48 -0.60 3.56 3.08 -0.94 -2.84 114.38 116.75 1pt3 h ARG 520 Ca 0.16 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.32 1pt3 h ARG 520 Cb 0.08 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 1pt3 h ARG 520 CO -0.02 -0.28 0.40 0.52 -1.07 0.00 0.00 179.97 179.51 1pt3 h MET 521 N -0.55 0.46 -0.16 0.04 2.86 -0.08 0.50 114.93 118.00 1pt3 h MET 521 Ca -0.05 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1pt3 h MET 521 Cb 0.41 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1pt3 h MET 521 CO 0.08 0.30 0.12 0.87 1.06 0.00 0.00 176.91 179.34 1pt3 h LYS 522 N 0.47 0.00 -0.63 1.72 6.56 -0.91 -1.34 116.57 122.44 1pt3 h LYS 522 Ca 0.27 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.51 1pt3 h LYS 522 Cb 0.44 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 31.90 1pt3 h LYS 522 CO -0.08 0.00 0.19 1.33 -2.06 0.00 0.00 179.45 178.83 1pt3 n VAL 523 N -4.47 2.85 -0.98 0.50 0.24 0.06 -4.85 118.33 111.68 1pt3 n VAL 523 Ca 0.01 -2.59 0.00 0.00 -2.04 0.00 0.00 64.34 59.71 1pt3 n VAL 523 Cb 0.25 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 1pt3 n VAL 523 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pt3 n GLY 524 N -1.10 0.32 3.83 7.63 0.00 -0.52 -5.01 105.19 110.35 1pt3 n GLY 524 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 1pt3 n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pt3 s LYS 525 N -0.79 3.71 0.49 1.61 1.02 -0.56 -3.96 119.74 121.27 1pt3 s LYS 525 Ca 0.00 -0.05 -0.20 0.00 0.02 0.00 0.00 55.97 55.74 1pt3 s LYS 525 Cb 0.00 -3.26 -0.08 0.00 -0.52 0.00 0.00 37.83 33.97 1pt3 s LYS 525 CO 0.00 0.63 1.06 0.00 -0.92 0.00 0.00 175.35 176.12 1pt3 s ALA 526 N -0.65 2.85 0.46 5.17 0.00 -1.26 -1.61 121.76 126.71 1pt3 s ALA 526 Ca 0.15 0.67 -0.25 0.00 0.00 0.00 0.00 51.96 52.53 1pt3 s ALA 526 Cb -0.13 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 1pt3 s ALA 526 CO 0.04 -0.41 1.41 -2.14 0.00 0.00 0.00 175.76 174.66 1pt3 s PRO 527 N -3.19 3.66 0.42 0.00 0.02 -1.26 -4.66 135.00 129.98 1pt3 s PRO 527 Ca 0.68 2.38 -0.24 0.00 0.02 0.00 0.00 61.00 63.85 1pt3 s PRO 527 Cb -0.18 -2.63 -0.08 0.00 0.02 0.00 0.00 34.50 31.63 1pt3 s PRO 527 CO 0.22 -0.83 1.11 0.15 -0.33 0.00 0.00 177.00 177.32 1pt3 s LYS 528 N -2.48 4.00 0.66 5.54 1.02 -1.26 -2.40 119.74 124.83 1pt3 s LYS 528 Ca 0.62 1.66 0.00 0.00 0.02 0.00 0.00 55.97 58.27 1pt3 s LYS 528 Cb -0.43 -2.51 0.10 0.00 -0.52 0.00 0.00 37.83 34.46 1pt3 s LYS 528 CO 0.55 -0.32 0.92 0.95 -0.92 0.00 0.00 175.35 176.53 1pt3 s THR 529 N -1.58 2.29 0.85 2.17 -4.23 0.52 -4.87 115.64 110.78 1pt3 s THR 529 Ca 0.60 -0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 60.37 1pt3 s THR 529 Cb -0.26 -2.66 0.10 0.00 1.34 0.00 0.00 72.50 71.03 1pt3 s THR 529 CO 0.32 0.00 1.11 -0.13 -0.54 0.00 0.00 174.62 175.38 1pt3 s ARG 530 N -5.01 1.62 0.36 3.99 0.52 -1.26 -4.91 118.95 114.26 1pt3 s ARG 530 Ca 0.63 1.29 0.08 0.00 -0.52 0.00 0.00 55.73 57.22 1pt3 s ARG 530 Cb -0.07 -1.82 0.67 0.00 0.52 0.00 0.00 34.95 34.26 1pt3 s ARG 530 CO 0.42 -2.13 1.85 1.79 0.02 0.00 0.00 175.30 177.26 1pt3 h THR 531 N -1.49 1.22 0.00 0.02 1.35 -1.98 -2.63 112.91 109.40 1pt3 h THR 531 Ca -0.44 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 1pt3 h THR 531 Cb 1.25 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1pt3 h THR 531 CO 0.48 0.31 0.00 0.00 -0.25 0.00 0.00 175.52 176.05 1pt3 n GLN 532 N -4.20 0.09 0.00 4.72 0.00 -1.26 -2.73 117.38 114.00 1pt3 n GLN 532 Ca -0.01 0.20 0.06 0.00 0.00 0.00 0.00 57.00 57.25 1pt3 n GLN 532 Cb 0.33 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.10 1pt3 n GLN 532 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1pt3 n ASP 533 N -1.41 1.82 -4.44 2.61 8.00 -1.00 -5.02 116.55 117.12 1pt3 n ASP 533 Ca 0.05 -1.41 -0.26 0.00 0.71 0.00 0.00 54.79 53.88 1pt3 n ASP 533 Cb 0.15 0.12 0.14 0.00 -0.02 0.00 0.00 41.12 41.51 1pt3 n ASP 533 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1pt3 s VAL 534 N -1.12 2.05 -0.26 2.53 -7.23 -1.10 -1.95 120.40 113.32 1pt3 s VAL 534 Ca 0.13 -0.40 -0.07 0.00 -1.81 0.00 0.00 61.98 59.83 1pt3 s VAL 534 Cb 0.10 -2.65 0.12 0.00 0.56 0.00 0.00 36.38 34.51 1pt3 s VAL 534 CO 0.18 0.00 0.53 -0.55 -0.31 0.00 0.00 175.10 174.95 1pt3 s SER 535 N -4.83 -0.70 0.67 4.85 0.15 -0.53 -4.49 113.70 108.81 1pt3 s SER 535 Ca 0.70 1.14 0.00 0.00 0.70 0.00 0.00 55.95 58.49 1pt3 s SER 535 Cb -0.04 1.81 0.00 0.00 -1.71 0.00 0.00 66.02 66.08 1pt3 s SER 535 CO 0.48 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1pt3 n GLY 536 N 5.42 2.40 0.00 9.45 0.00 -1.26 -0.65 105.19 120.55 1pt3 n GLY 536 Ca -0.09 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.70 1pt3 n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pt3 n LYS 537 N 14.00 0.22 -2.89 1.61 4.01 -1.26 -4.57 118.16 129.28 1pt3 n LYS 537 Ca 0.00 0.13 -0.43 0.00 -0.51 0.00 0.00 58.31 57.50 1pt3 n LYS 537 Cb 0.00 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 32.98 1pt3 n LYS 537 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1pt3 s ARG 538 N -2.63 3.25 0.00 1.97 0.52 0.18 -4.81 118.95 117.43 1pt3 s ARG 538 Ca 0.16 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1pt3 s ARG 538 Cb 0.12 -4.10 -0.01 0.00 0.52 0.00 0.00 34.95 31.48 1pt3 s ARG 538 CO 0.28 -1.51 0.23 0.25 0.02 0.00 0.00 175.30 174.57 1pt3 n THR 539 N 6.05 0.00 -4.16 0.02 -2.24 -1.26 -1.46 114.28 111.23 1pt3 n THR 539 Ca -0.01 -0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 61.08 1pt3 n THR 539 Cb 0.47 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 1pt3 n THR 539 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pt3 s SER 540 N -0.91 5.25 0.48 3.42 1.04 -1.26 -0.36 113.70 121.36 1pt3 s SER 540 Ca 0.01 -0.35 -0.24 0.00 0.48 0.00 0.00 55.95 55.85 1pt3 s SER 540 Cb 0.02 -1.25 -0.07 0.00 0.10 0.00 0.00 66.02 64.82 1pt3 s SER 540 CO 0.07 -0.02 1.33 -0.36 0.98 0.00 0.00 173.24 175.24 1pt3 s PHE 541 N -2.17 2.53 -0.02 5.02 0.08 -1.01 -4.37 117.98 118.04 1pt3 s PHE 541 Ca 0.32 1.38 0.06 0.00 0.12 0.00 0.00 56.93 58.81 1pt3 s PHE 541 Cb -0.08 -3.73 -0.01 0.00 -0.57 0.00 0.00 43.02 38.63 1pt3 s PHE 541 CO 0.23 -2.52 -0.20 -1.21 -0.10 0.00 0.00 175.22 171.42 1pt3 s GLU 542 N -2.63 1.66 0.08 0.44 2.02 -0.29 -4.79 118.70 115.19 1pt3 s GLU 542 Ca 0.65 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 54.62 1pt3 s GLU 542 Cb -0.39 -1.58 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 1pt3 s GLU 542 CO 0.48 0.42 1.06 -0.51 0.02 0.00 0.00 175.26 176.73 1pt3 s LEU 543 N -0.43 4.42 -0.14 1.80 1.43 -1.26 -1.25 118.68 123.26 1pt3 s LEU 543 Ca 0.07 1.88 0.01 0.00 -1.03 0.00 0.00 54.13 55.05 1pt3 s LEU 543 Cb -0.08 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.55 1pt3 s LEU 543 CO -0.00 -0.27 -0.17 -2.28 0.23 0.00 0.00 176.35 173.85 1pt3 s HIS 544 N 0.56 2.74 -0.25 0.29 2.46 0.25 -4.94 115.29 116.39 1pt3 s HIS 544 Ca 0.52 -0.98 -0.19 0.00 0.47 0.00 0.00 55.06 54.88 1pt3 s HIS 544 Cb -0.26 -1.84 -0.02 0.00 -0.13 0.00 0.00 32.58 30.33 1pt3 s HIS 544 CO 0.30 -0.42 0.58 -1.01 -2.47 0.00 0.00 174.74 171.72 1pt3 s HIS 545 N 0.62 3.28 0.30 3.88 3.76 -1.26 -0.76 115.29 125.12 1pt3 s HIS 545 Ca -0.09 0.75 0.14 0.00 -0.15 0.00 0.00 55.06 55.71 1pt3 s HIS 545 Cb -0.16 -2.79 0.63 0.00 1.11 0.00 0.00 32.58 31.37 1pt3 s HIS 545 CO 0.03 -0.30 1.75 1.49 -0.85 0.00 0.00 174.74 176.86 1pt3 h GLU 546 N 7.92 0.00 -3.96 1.40 4.81 -1.76 -3.43 114.58 119.56 1pt3 h GLU 546 Ca -0.28 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.55 1pt3 h GLU 546 Cb 1.13 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.17 1pt3 h GLU 546 CO 0.75 0.44 -0.77 0.15 -0.73 0.00 0.00 179.01 178.85 1pt3 s LYS 547 N -3.88 0.75 0.75 1.92 1.02 -1.26 -5.11 119.74 113.92 1pt3 s LYS 547 Ca -0.02 -0.06 -0.11 0.00 0.02 0.00 0.00 55.97 55.80 1pt3 s LYS 547 Cb 0.13 -0.81 0.04 0.00 -0.52 0.00 0.00 37.83 36.67 1pt3 s LYS 547 CO 0.72 -0.11 1.09 -1.25 -0.92 0.00 0.00 175.35 174.88 1pt3 s PRO 548 N 1.03 2.46 0.56 -1.68 0.04 -1.26 -4.08 135.00 132.06 1pt3 s PRO 548 Ca -0.09 1.14 0.27 0.00 0.04 0.00 0.00 61.00 62.36 1pt3 s PRO 548 Cb -0.14 -1.92 1.47 0.00 0.04 0.00 0.00 34.50 33.95 1pt3 s PRO 548 CO -0.01 -1.49 1.97 0.82 0.04 0.00 0.00 177.00 178.34 1pt3 h ILE 549 N -0.94 0.57 0.03 0.56 2.04 -1.94 -0.26 117.51 117.57 1pt3 h ILE 549 Ca -0.44 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1pt3 h ILE 549 Cb 1.23 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1pt3 h ILE 549 CO 0.53 0.00 -0.01 0.77 0.00 0.00 0.00 178.15 179.43 1pt3 h SER 550 N 0.00 -0.03 -0.27 1.72 4.64 -1.90 -2.53 113.55 115.19 1pt3 h SER 550 Ca 0.23 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.38 1pt3 h SER 550 Cb 1.05 0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 1pt3 h SER 550 CO -0.00 -0.00 0.20 0.00 -0.87 0.00 0.00 176.83 176.15 1pt3 n GLN 551 N -5.10 1.38 -1.86 4.77 6.02 -0.41 -4.77 117.38 117.41 1pt3 n GLN 551 Ca -0.07 -0.83 -0.21 0.00 -0.01 0.00 0.00 57.00 55.88 1pt3 n GLN 551 Cb 0.05 -1.33 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 1pt3 n GLN 551 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pt3 n ASN 552 N 0.38 -5.58 -4.72 1.08 5.03 -0.95 -4.86 115.26 105.64 1pt3 n ASN 552 Ca 0.16 0.34 -0.42 0.00 0.87 0.00 0.00 54.58 55.54 1pt3 n ASN 552 Cb 0.70 -4.84 -0.03 0.00 -1.02 0.00 0.00 39.78 34.60 1pt3 n ASN 552 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1pt3 s GLY 553 N -2.52 2.16 -0.27 7.41 0.00 -0.24 -4.93 107.32 108.93 1pt3 s GLY 553 Ca 0.00 1.11 -0.28 0.00 0.00 0.00 0.00 44.72 45.54 1pt3 s GLY 553 CO 0.00 2.24 2.01 -0.32 0.00 0.00 0.00 173.10 177.02 1pt3 s GLY 554 N 0.83 0.65 0.43 0.20 0.00 -1.26 -4.09 107.32 104.09 1pt3 s GLY 554 Ca 0.61 0.53 0.30 0.00 0.00 0.00 0.00 44.72 46.16 1pt3 s GLY 554 CO 0.33 3.53 1.88 -0.24 0.00 0.00 0.00 173.10 178.61 1pt3 h VAL 555 N 6.98 0.00 -0.11 1.40 3.04 -1.91 -3.06 116.25 122.58 1pt3 h VAL 555 Ca -0.37 -0.36 -0.19 0.00 -1.01 0.00 0.00 66.70 64.76 1pt3 h VAL 555 Cb 1.20 1.24 -0.36 0.00 -2.01 0.00 0.00 31.29 31.36 1pt3 h VAL 555 CO 0.99 0.00 -0.98 -1.22 -1.01 0.00 0.00 177.57 175.36 1pt3 n TYR 556 N -2.72 0.26 -3.51 3.17 4.01 -1.26 -4.89 117.16 112.22 1pt3 n TYR 556 Ca 0.01 -0.96 -0.42 0.00 -0.16 0.00 0.00 57.90 56.37 1pt3 n TYR 556 Cb 0.26 -0.07 -0.08 0.00 -0.31 0.00 0.00 39.34 39.14 1pt3 n TYR 556 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1pt3 s ASP 557 N -2.36 5.81 0.56 7.72 3.68 -1.16 -2.03 116.67 128.89 1pt3 s ASP 557 Ca 0.29 -1.77 0.33 0.00 2.13 0.00 0.00 52.55 53.53 1pt3 s ASP 557 Cb 0.34 -2.05 1.48 0.00 -1.45 0.00 0.00 42.92 41.24 1pt3 s ASP 557 CO -0.12 -0.69 1.82 0.24 0.13 0.00 0.00 175.17 176.54 1pt3 h MET 558 N 8.54 0.00 0.00 4.34 2.86 -0.57 1.39 114.93 131.49 1pt3 h MET 558 Ca -0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1pt3 h MET 558 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1pt3 h MET 558 CO 0.87 0.00 0.00 -0.44 1.06 0.00 0.00 176.91 178.40 1pt3 h ASP 559 N 0.00 0.00 -0.36 1.22 3.32 -1.92 -2.20 116.42 116.48 1pt3 h ASP 559 Ca 0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.47 1pt3 h ASP 559 Cb 1.94 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.48 1pt3 h ASP 559 CO -0.00 0.00 0.02 -3.20 -1.72 0.00 0.00 179.24 174.33 1pt3 n ASN 560 N -2.50 4.20 -4.09 6.45 5.15 0.48 -4.96 115.26 119.99 1pt3 n ASN 560 Ca 0.02 -3.08 -0.24 0.00 -0.60 0.00 0.00 54.58 50.68 1pt3 n ASN 560 Cb 0.27 -0.60 -0.16 0.00 -0.53 0.00 0.00 39.78 38.77 1pt3 n ASN 560 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pt3 s ILE 561 N -2.87 1.23 0.20 -1.44 1.01 -0.83 -1.88 121.20 116.62 1pt3 s ILE 561 Ca 0.46 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 1pt3 s ILE 561 Cb 0.37 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 1pt3 s ILE 561 CO 0.10 0.36 0.18 -0.94 0.00 0.00 0.00 174.94 174.64 1pt3 s SER 562 N 0.16 0.13 -0.19 3.58 1.04 0.06 -3.90 113.70 114.57 1pt3 s SER 562 Ca -0.05 -1.28 -0.04 0.00 0.48 0.00 0.00 55.95 55.06 1pt3 s SER 562 Cb -0.11 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 1pt3 s SER 562 CO 0.02 -0.87 -0.04 -0.69 0.98 0.00 0.00 173.24 172.63 1pt3 s VAL 563 N -4.12 3.54 0.13 5.02 1.01 -0.50 0.84 120.40 126.32 1pt3 s VAL 563 Ca 0.34 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1pt3 s VAL 563 Cb 0.06 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1pt3 s VAL 563 CO 0.10 0.45 -0.09 0.68 0.00 0.00 0.00 175.10 176.24 1pt3 s VAL 564 N 1.03 1.01 0.45 2.92 -7.23 -0.38 -2.41 120.40 115.79 1pt3 s VAL 564 Ca 0.01 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 1pt3 s VAL 564 Cb -0.15 -1.77 -0.08 0.00 0.56 0.00 0.00 36.38 34.95 1pt3 s VAL 564 CO 0.00 -0.78 0.88 0.42 -0.31 0.00 0.00 175.10 175.32 1pt3 s THR 565 N -3.38 4.63 0.18 5.32 -4.23 -0.12 -1.13 115.64 116.91 1pt3 s THR 565 Ca 0.15 1.00 -0.15 0.00 -1.18 0.00 0.00 61.69 61.50 1pt3 s THR 565 Cb 0.03 -3.71 0.11 0.00 1.34 0.00 0.00 72.50 70.28 1pt3 s THR 565 CO -0.01 -0.56 1.68 -0.65 -0.54 0.00 0.00 174.62 174.54 1pt3 h PRO 566 N 1.23 0.07 0.00 3.99 0.11 -1.76 0.25 132.00 135.89 1pt3 h PRO 566 Ca -0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pt3 h PRO 566 Cb 1.18 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pt3 h PRO 566 CO 0.63 0.05 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.24 1pt3 h LYS 567 N 0.08 0.00 0.08 1.05 3.11 -1.62 -1.61 116.57 117.66 1pt3 h LYS 567 Ca 0.22 0.00 -0.33 0.00 -2.81 0.00 0.00 60.65 57.73 1pt3 h LYS 567 Cb 0.34 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 1pt3 h LYS 567 CO -0.40 0.01 -1.83 -2.13 -2.81 0.00 0.00 179.45 172.29 1pt3 n ARG 568 N -3.26 0.69 -0.30 1.90 3.00 0.22 -3.40 116.66 115.51 1pt3 n ARG 568 Ca -0.03 0.35 0.10 0.00 -0.00 0.00 0.00 57.85 58.28 1pt3 n ARG 568 Cb 0.11 -1.70 0.34 0.00 0.00 0.00 0.00 32.46 31.20 1pt3 n ARG 568 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1pt3 h HIS 569 N -0.29 0.92 -0.55 -0.14 2.76 -0.12 -0.39 115.15 117.33 1pt3 h HIS 569 Ca -0.42 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 57.69 1pt3 h HIS 569 Cb 1.79 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 30.44 1pt3 h HIS 569 CO 0.07 0.35 0.02 0.82 -1.30 0.00 0.00 177.93 177.89 1pt3 h ILE 570 N 0.78 1.25 0.00 6.26 1.08 -1.44 -2.33 117.51 123.12 1pt3 h ILE 570 Ca 0.46 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 1pt3 h ILE 570 Cb 0.64 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1pt3 h ILE 570 CO -0.22 0.38 0.00 0.47 -0.69 0.00 0.00 178.15 178.09 1pt3 n ASP 571 N -4.20 0.02 -0.02 1.72 8.00 -0.26 -3.01 116.55 118.79 1pt3 n ASP 571 Ca 0.03 0.50 -0.13 0.00 0.71 0.00 0.00 54.79 55.90 1pt3 n ASP 571 Cb 0.31 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 1pt3 n ASP 571 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1pt3 n ILE 572 N -1.52 1.65 1.61 0.53 5.41 -0.57 -1.20 119.36 125.27 1pt3 n ILE 572 Ca 0.06 -0.75 0.07 0.00 1.00 0.00 0.00 62.75 63.13 1pt3 n ILE 572 Cb 0.28 -1.24 0.33 0.00 -0.71 0.00 0.00 39.64 38.29 1pt3 n ILE 572 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1pt3 n HIS 573 N -3.18 0.13 -0.01 1.39 8.25 -0.94 -3.18 115.22 117.68 1pt3 n HIS 573 Ca -0.24 -0.07 0.02 0.00 -0.26 0.00 0.00 57.72 57.17 1pt3 n HIS 573 Cb 1.06 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.12 1pt3 n HIS 573 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1pt3 n ARG 574 N -0.21 0.82 0.00 -0.41 1.85 -1.18 -5.03 116.66 112.50 1pt3 n ARG 574 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1pt3 n ARG 574 Cb 0.16 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 1pt3 n ARG 574 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pt3 n GLY 575 N 2.30 0.47 2.44 2.89 0.00 -1.19 -5.12 105.19 106.98 1pt3 n GLY 575 Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1pt3 n GLY 575 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60