#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ead n ILE 442 N 0.00 0.20 -3.56 0.52 5.41 -1.26 -4.48 119.36 116.20 3ead n ILE 442 Ca 0.00 -0.04 -0.10 0.00 1.00 0.00 0.00 62.75 63.61 3ead n ILE 442 Cb 0.00 -1.50 -0.02 0.00 -0.71 0.00 0.00 39.64 37.41 3ead n ILE 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ead s ARG 443 N 2.04 1.37 0.00 0.38 1.70 -0.36 -2.51 118.95 121.58 3ead s ARG 443 Ca 0.86 -0.60 0.05 0.00 -0.47 0.00 0.00 55.73 55.56 3ead s ARG 443 Cb -0.76 0.57 -0.01 0.00 -0.57 0.00 0.00 34.95 34.17 3ead s ARG 443 CO 0.46 -0.61 -0.15 -1.64 -1.08 0.00 0.00 175.30 172.28 3ead s MET 444 N -3.72 1.11 0.23 3.89 -1.94 -0.60 0.79 119.30 119.07 3ead s MET 444 Ca 0.05 -0.59 -0.17 0.00 -1.71 0.00 0.00 55.69 53.26 3ead s MET 444 Cb -0.02 -1.09 0.02 0.00 2.01 0.00 0.00 34.83 35.74 3ead s MET 444 CO -0.07 0.29 0.55 1.52 -0.01 0.00 0.00 175.02 177.31 3ead s TYR 445 N -0.49 0.01 0.19 -0.03 -0.85 0.47 -1.22 117.35 115.43 3ead s TYR 445 Ca 0.05 -0.39 -0.30 0.00 -0.52 0.00 0.00 57.07 55.91 3ead s TYR 445 Cb -0.06 0.40 -0.08 0.00 0.38 0.00 0.00 41.96 42.60 3ead s TYR 445 CO 0.00 -1.01 1.08 -0.06 -1.52 0.00 0.00 175.55 174.03 3ead s PHE 446 N -3.93 3.64 -0.28 -3.49 0.40 -0.70 0.13 117.98 113.76 3ead s PHE 446 Ca 0.14 1.65 0.01 0.00 -0.60 0.00 0.00 56.93 58.13 3ead s PHE 446 Cb -0.02 -3.23 0.16 0.00 0.51 0.00 0.00 43.02 40.44 3ead s PHE 446 CO 0.03 -0.44 0.44 -2.00 0.70 0.00 0.00 175.22 173.95 3ead s GLU 447 N -0.52 0.43 0.88 0.44 2.12 -0.70 -3.84 118.70 117.51 3ead s GLU 447 Ca 0.48 0.40 -0.10 0.00 0.36 0.00 0.00 54.97 56.11 3ead s GLU 447 Cb -0.29 -0.20 0.12 0.00 0.26 0.00 0.00 34.13 34.03 3ead s GLU 447 CO 0.35 -0.87 1.14 -2.14 -0.54 0.00 0.00 175.26 173.20 3ead s PRO 448 N 2.61 1.31 0.04 4.30 0.02 -1.26 -4.47 135.00 137.55 3ead s PRO 448 Ca 0.12 1.48 0.22 0.00 0.02 0.00 0.00 61.00 62.85 3ead s PRO 448 Cb -0.13 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.54 3ead s PRO 448 CO -0.24 -2.41 0.89 0.41 -0.33 0.00 0.00 177.00 175.32 3ead n GLY 449 N -0.07 -1.16 3.05 0.52 0.00 -1.25 -4.68 105.19 101.60 3ead n GLY 449 Ca 0.11 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 3ead n GLY 449 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ead s HIS 450 N -3.26 1.09 -0.11 1.61 5.65 -1.26 -1.47 115.29 117.54 3ead s HIS 450 Ca 0.01 -0.25 0.00 0.00 0.25 0.00 0.00 55.06 55.07 3ead s HIS 450 Cb 0.14 -0.74 0.02 0.00 -1.18 0.00 0.00 32.58 30.82 3ead s HIS 450 CO 0.83 -0.07 -0.10 0.71 -0.65 0.00 0.00 174.74 175.46 3ead s TYR 451 N -0.02 1.67 -0.08 3.88 2.02 -0.33 -5.00 117.35 119.50 3ead s TYR 451 Ca -0.00 -0.83 0.02 0.00 -0.37 0.00 0.00 57.07 55.89 3ead s TYR 451 Cb -0.07 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 3ead s TYR 451 CO 0.00 -0.51 -0.13 -0.08 -1.57 0.00 0.00 175.55 173.27 3ead s THR 452 N 1.44 3.18 -0.07 -0.71 -1.32 -1.26 -0.91 115.64 115.98 3ead s THR 452 Ca 0.01 -0.66 -0.03 0.00 -1.21 0.00 0.00 61.69 59.80 3ead s THR 452 Cb -0.13 -2.28 0.04 0.00 -1.51 0.00 0.00 72.50 68.62 3ead s THR 452 CO -0.06 0.57 0.17 -0.69 -2.21 0.00 0.00 174.62 172.40 3ead s VAL 453 N -0.42 -0.05 0.30 5.08 1.01 -0.32 -4.98 120.40 121.03 3ead s VAL 453 Ca 0.05 0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.93 3ead s VAL 453 Cb -0.12 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 35.89 3ead s VAL 453 CO 0.02 0.07 1.00 -0.04 0.00 0.00 0.00 175.10 176.15 3ead s MET 454 N 1.18 4.60 0.34 2.72 -1.94 -1.26 -0.93 119.30 124.01 3ead s MET 454 Ca -0.09 1.51 0.04 0.00 -1.71 0.00 0.00 55.69 55.44 3ead s MET 454 Cb -0.11 -2.97 0.68 0.00 2.01 0.00 0.00 34.83 34.44 3ead s MET 454 CO -0.06 0.26 1.94 1.49 -0.01 0.00 0.00 175.02 178.64 3ead h GLU 455 N 3.46 0.81 -0.60 2.03 4.81 -1.42 -1.24 114.58 122.43 3ead h GLU 455 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3ead h GLU 455 Cb 1.20 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3ead h GLU 455 CO 0.66 0.54 0.00 0.27 -0.73 0.00 0.00 179.01 179.74 3ead n ASN 456 N -4.48 1.23 0.29 1.04 6.94 -1.26 -4.10 115.26 114.92 3ead n ASN 456 Ca 0.12 -2.08 0.18 0.00 -0.02 0.00 0.00 54.58 52.78 3ead n ASN 456 Cb 0.22 -0.34 0.86 0.00 -2.36 0.00 0.00 39.78 38.16 3ead n ASN 456 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ead n GLY 458 N -0.48 1.81 3.42 0.00 0.00 -1.26 -4.78 105.19 103.90 3ead n GLY 458 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3ead n GLY 458 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ead s GLU 459 N 0.00 1.25 0.07 1.61 -1.05 -1.26 -0.22 118.70 119.10 3ead s GLU 459 Ca 0.00 -0.60 -0.02 0.00 -0.15 0.00 0.00 54.97 54.20 3ead s GLU 459 Cb 0.00 0.55 -0.03 0.00 -0.44 0.00 0.00 34.13 34.21 3ead s GLU 459 CO 0.00 -0.53 0.03 -0.59 0.95 0.00 0.00 175.26 175.11 3ead s PHE 460 N -3.78 0.53 -0.05 4.83 -0.71 -0.89 -4.95 117.98 112.96 3ead s PHE 460 Ca 0.03 -1.03 0.01 0.00 -1.04 0.00 0.00 56.93 54.90 3ead s PHE 460 Cb -0.00 -0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.42 3ead s PHE 460 CO -0.11 -0.44 -0.07 -2.00 -1.34 0.00 0.00 175.22 171.26 3ead s GLU 461 N -3.94 2.70 0.10 1.99 2.12 -1.26 -0.21 118.70 120.20 3ead s GLU 461 Ca 0.10 -0.59 0.09 0.00 0.36 0.00 0.00 54.97 54.94 3ead s GLU 461 Cb 0.07 -2.56 -0.03 0.00 0.26 0.00 0.00 34.13 31.87 3ead s GLU 461 CO -0.07 0.65 -0.24 0.08 -0.54 0.00 0.00 175.26 175.14 3ead s VAL 462 N -0.84 1.95 -0.03 3.70 1.01 0.85 -4.95 120.40 122.10 3ead s VAL 462 Ca 0.13 -1.56 0.01 0.00 0.00 0.00 0.00 61.98 60.55 3ead s VAL 462 Cb -0.11 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.56 3ead s VAL 462 CO 0.02 0.07 -0.01 -0.60 0.00 0.00 0.00 175.10 174.58 3ead s ARG 463 N -1.80 0.37 0.02 2.72 3.52 -1.26 -0.49 118.95 122.03 3ead s ARG 463 Ca 0.10 0.01 0.08 0.00 -0.13 0.00 0.00 55.73 55.78 3ead s ARG 463 Cb -0.10 -0.49 -0.03 0.00 -1.56 0.00 0.00 34.95 32.78 3ead s ARG 463 CO 0.04 -0.08 -0.23 0.08 -0.81 0.00 0.00 175.30 174.30 3ead s VAL 464 N 0.76 2.35 0.10 7.11 1.01 -0.14 -1.72 120.40 129.88 3ead s VAL 464 Ca -0.08 -1.23 0.07 0.00 0.00 0.00 0.00 61.98 60.75 3ead s VAL 464 Cb -0.11 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3ead s VAL 464 CO -0.01 0.42 -0.19 -0.69 0.00 0.00 0.00 175.10 174.64 3ead s VAL 465 N -0.79 1.57 -0.19 2.92 1.01 0.36 -1.43 120.40 123.86 3ead s VAL 465 Ca 0.12 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.58 3ead s VAL 465 Cb -0.10 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.83 3ead s VAL 465 CO 0.02 -0.14 -0.17 -0.60 0.00 0.00 0.00 175.10 174.22 3ead s ARG 466 N -1.99 2.66 0.30 2.72 3.52 -0.44 -0.39 118.95 125.32 3ead s ARG 466 Ca 0.06 -0.88 0.09 0.00 -0.13 0.00 0.00 55.73 54.87 3ead s ARG 466 Cb -0.09 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 3ead s ARG 466 CO 0.04 -0.30 0.06 1.03 -0.81 0.00 0.00 175.30 175.32 3ead s ARG 467 N 1.30 2.32 0.72 5.12 1.81 0.24 -4.77 118.95 125.68 3ead s ARG 467 Ca 0.02 -1.48 0.00 0.00 -1.72 0.00 0.00 55.73 52.55 3ead s ARG 467 Cb -0.14 -2.16 0.00 0.00 -0.45 0.00 0.00 34.95 32.20 3ead s ARG 467 CO -0.11 0.26 0.00 0.41 -0.68 0.00 0.00 175.30 175.18 3ead n GLY 468 N -1.00 -1.77 3.72 -3.53 0.00 -1.26 -1.22 105.19 100.13 3ead n GLY 468 Ca -0.05 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3ead n GLY 468 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ead s ASP 469 N -4.00 7.28 -0.05 1.61 2.15 -1.26 -4.92 116.67 117.48 3ead s ASP 469 Ca 0.00 1.91 0.07 0.00 0.43 0.00 0.00 52.55 54.96 3ead s ASP 469 Cb 0.00 -2.59 0.11 0.00 -0.30 0.00 0.00 42.92 40.15 3ead s ASP 469 CO 0.00 -0.28 1.03 2.30 -0.17 0.00 0.00 175.17 178.05 3ead n ILE 470 N 3.28 1.25 -0.67 4.11 -5.35 -1.26 -4.57 119.36 116.16 3ead n ILE 470 Ca 0.05 -1.40 0.51 0.00 -0.27 0.00 0.00 62.75 61.64 3ead n ILE 470 Cb 0.48 0.24 0.80 0.00 -1.74 0.00 0.00 39.64 39.42 3ead n ILE 470 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 3ead h SER 471 N 0.00 0.03 -1.99 7.28 0.87 -1.93 0.34 113.55 118.15 3ead h SER 471 Ca 0.00 0.02 -0.61 0.00 -1.23 0.00 0.00 61.79 59.97 3ead h SER 471 Cb 0.76 0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 62.61 3ead h SER 471 CO 0.00 -0.04 -0.68 0.42 -0.53 0.00 0.00 176.83 176.00 3ead s THR 472 N -4.93 2.37 0.30 2.23 -4.23 -1.26 -4.61 115.64 105.51 3ead s THR 472 Ca -0.05 -2.20 -0.29 0.00 -1.18 0.00 0.00 61.69 57.97 3ead s THR 472 Cb 0.28 -2.62 -0.10 0.00 1.34 0.00 0.00 72.50 71.40 3ead s THR 472 CO 0.89 -0.24 1.15 -0.47 -0.54 0.00 0.00 174.62 175.40 3ead s TYR 473 N -2.57 3.43 0.07 3.99 5.04 -1.26 -4.00 117.35 122.05 3ead s TYR 473 Ca 0.32 1.63 -0.06 0.00 -2.44 0.00 0.00 57.07 56.52 3ead s TYR 473 Cb 0.01 -3.37 -0.01 0.00 0.35 0.00 0.00 41.96 38.93 3ead s TYR 473 CO 0.17 -0.87 0.11 0.00 -1.34 0.00 0.00 175.55 173.62 3ead s ALA 474 N -1.19 0.01 0.06 3.97 0.00 -0.92 -4.97 121.76 118.72 3ead s ALA 474 Ca 0.46 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.50 3ead s ALA 474 Cb -0.33 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.19 3ead s ALA 474 CO 0.43 -0.43 0.35 -1.54 0.00 0.00 0.00 175.76 174.57 3ead s SER 475 N -2.73 -0.18 -0.01 0.00 1.04 -1.26 -0.07 113.70 110.48 3ead s SER 475 Ca 0.04 -0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 3ead s SER 475 Cb 0.05 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.59 3ead s SER 475 CO -0.09 -0.68 0.29 0.54 0.98 0.00 0.00 173.24 174.27 3ead s VAL 476 N -2.84 0.06 0.28 5.02 0.11 -0.77 -1.08 120.40 121.19 3ead s VAL 476 Ca -0.03 -0.49 0.06 0.00 -2.93 0.00 0.00 61.98 58.59 3ead s VAL 476 Cb 0.00 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 3ead s VAL 476 CO -0.05 -0.27 0.41 -1.61 -3.33 0.00 0.00 175.10 170.25 3ead s GLU 477 N -1.30 3.31 0.07 1.54 2.02 -0.03 -0.33 118.70 123.99 3ead s GLU 477 Ca -0.13 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 53.99 3ead s GLU 477 Cb -0.05 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 3ead s GLU 477 CO 0.04 0.27 0.00 1.52 0.02 0.00 0.00 175.26 177.11 3ead s TYR 478 N -2.07 0.60 -0.16 1.61 1.13 -0.54 -0.96 117.35 116.96 3ead s TYR 478 Ca 0.39 -1.09 -0.12 0.00 -1.41 0.00 0.00 57.07 54.84 3ead s TYR 478 Cb -0.09 -0.40 0.05 0.00 -1.10 0.00 0.00 41.96 40.42 3ead s TYR 478 CO 0.30 -0.43 0.40 -1.83 -2.51 0.00 0.00 175.55 171.49 3ead s GLU 479 N -3.95 0.43 0.68 -3.49 -1.05 -0.67 -1.80 118.70 108.86 3ead s GLU 479 Ca 0.12 0.67 -0.15 0.00 -0.15 0.00 0.00 54.97 55.45 3ead s GLU 479 Cb 0.08 0.10 0.01 0.00 -0.44 0.00 0.00 34.13 33.88 3ead s GLU 479 CO -0.07 -0.11 1.16 0.95 0.95 0.00 0.00 175.26 178.15 3ead s THR 480 N 0.79 2.74 0.01 1.83 -4.23 -0.45 -0.69 115.64 115.64 3ead s THR 480 Ca -0.05 0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 60.77 3ead s THR 480 Cb -0.06 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 3ead s THR 480 CO -0.06 -0.19 0.10 -1.10 -0.54 0.00 0.00 174.62 172.83 3ead s GLN 481 N -3.91 0.48 0.59 3.99 -0.21 0.55 -4.84 119.66 116.31 3ead s GLN 481 Ca 0.72 -0.52 -0.17 0.00 0.02 0.00 0.00 55.36 55.41 3ead s GLN 481 Cb -0.25 0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.91 3ead s GLN 481 CO 0.42 -0.11 1.11 -0.51 -2.12 0.00 0.00 175.29 174.08 3ead s ASP 482 N -1.56 5.51 0.00 5.90 1.11 -1.26 -1.63 116.67 124.73 3ead s ASP 482 Ca -0.13 2.04 0.00 0.00 0.18 0.00 0.00 52.55 54.64 3ead s ASP 482 Cb -0.07 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.36 3ead s ASP 482 CO -0.00 -1.36 0.00 0.61 1.18 0.00 0.00 175.17 175.60 3ead n GLY 483 N -0.29 2.38 0.06 0.21 0.00 -1.19 -4.65 105.19 101.70 3ead n GLY 483 Ca 0.11 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3ead n GLY 483 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ead n THR 484 N 0.00 0.30 -3.37 2.61 -2.24 -0.20 -4.83 114.28 106.56 3ead n THR 484 Ca 0.00 -0.38 -0.34 0.00 -2.27 0.00 0.00 64.05 61.05 3ead n THR 484 Cb 0.00 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.15 3ead n THR 484 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ead s ALA 485 N -3.30 3.57 0.05 6.98 0.00 -0.87 -4.81 121.76 123.37 3ead s ALA 485 Ca 0.01 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 51.88 3ead s ALA 485 Cb 0.13 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 3ead s ALA 485 CO 0.81 0.47 -0.22 -1.12 0.00 0.00 0.00 175.76 175.70 3ead s SER 486 N -1.90 2.62 0.31 0.00 0.01 -1.26 -4.55 113.70 108.92 3ead s SER 486 Ca 0.41 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 3ead s SER 486 Cb -0.14 -0.22 -0.11 0.00 0.21 0.00 0.00 66.02 65.76 3ead s SER 486 CO 0.20 0.18 1.58 0.00 0.41 0.00 0.00 173.24 175.61 3ead s ALA 487 N -0.81 3.72 0.00 1.44 0.00 -1.26 -0.51 121.76 124.34 3ead s ALA 487 Ca 0.08 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.63 3ead s ALA 487 Cb -0.09 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3ead s ALA 487 CO 0.02 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.18 3ead n GLY 488 N 1.88 2.98 0.00 0.00 0.00 0.46 -4.73 105.19 105.79 3ead n GLY 488 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3ead n GLY 488 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ead n THR 489 N -0.33 0.05 -0.01 2.61 -2.24 -1.00 -4.90 114.28 108.46 3ead n THR 489 Ca 0.00 -0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 3ead n THR 489 Cb 0.00 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 3ead n THR 489 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ead n ASP 490 N -1.80 4.35 -4.11 3.42 10.43 0.33 -4.76 116.55 124.42 3ead n ASP 490 Ca -0.01 -0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.24 3ead n ASP 490 Cb 0.29 0.36 -0.08 0.00 1.84 0.00 0.00 41.12 43.53 3ead n ASP 490 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3ead s PHE 491 N -2.04 0.80 -0.19 1.24 -0.71 -1.15 -0.94 117.98 114.98 3ead s PHE 491 Ca -0.01 -1.09 -0.08 0.00 -1.04 0.00 0.00 56.93 54.71 3ead s PHE 491 Cb 0.01 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 3ead s PHE 491 CO 0.06 -0.80 0.08 0.54 -1.34 0.00 0.00 175.22 173.76 3ead s VAL 492 N -4.09 4.87 0.36 -2.49 0.11 -0.88 -0.40 120.40 117.88 3ead s VAL 492 Ca 0.32 -0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.08 3ead s VAL 492 Cb 0.04 -3.21 -0.11 0.00 -1.53 0.00 0.00 36.38 31.56 3ead s VAL 492 CO 0.11 0.44 1.50 0.61 -3.33 0.00 0.00 175.10 174.43 3ead n GLY 493 N 3.72 1.21 2.84 6.54 0.00 -1.26 -4.58 105.19 113.66 3ead n GLY 493 Ca -0.16 0.34 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 3ead n GLY 493 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ead s ARG 494 N -1.77 0.02 -0.00 1.61 3.52 -1.26 -5.03 118.95 116.03 3ead s ARG 494 Ca 0.55 0.29 0.06 0.00 -0.13 0.00 0.00 55.73 56.50 3ead s ARG 494 Cb -0.48 -0.22 -0.03 0.00 -1.56 0.00 0.00 34.95 32.66 3ead s ARG 494 CO 0.61 -0.18 -0.17 0.15 -0.81 0.00 0.00 175.30 174.90 3ead s LYS 495 N 1.19 2.26 0.32 5.12 1.02 -1.26 -1.35 119.74 127.05 3ead s LYS 495 Ca -0.08 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 54.93 3ead s LYS 495 Cb -0.12 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 3ead s LYS 495 CO -0.05 0.58 0.61 0.20 -0.92 0.00 0.00 175.35 175.78 3ead s GLY 496 N -1.05 0.66 -0.14 -3.33 0.00 -0.74 -5.00 107.32 97.72 3ead s GLY 496 Ca 0.13 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.93 3ead s GLY 496 CO 0.03 -0.55 -0.19 -2.27 0.00 0.00 0.00 173.10 170.11 3ead s LEU 497 N -3.08 2.27 -0.31 0.66 2.96 -1.26 -1.47 118.68 118.44 3ead s LEU 497 Ca 0.21 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.47 3ead s LEU 497 Cb -0.03 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 3ead s LEU 497 CO 0.13 0.09 0.19 -0.76 -1.32 0.00 0.00 176.35 174.68 3ead s LEU 498 N 0.74 4.22 -0.18 -0.68 1.02 0.56 -4.98 118.68 119.38 3ead s LEU 498 Ca -0.08 -0.35 -0.12 0.00 0.02 0.00 0.00 54.13 53.60 3ead s LEU 498 Cb -0.16 -2.08 -0.05 0.00 0.02 0.00 0.00 46.19 43.93 3ead s LEU 498 CO 0.00 -0.17 0.23 -0.44 0.02 0.00 0.00 176.35 176.00 3ead s SER 499 N 1.69 6.35 -0.55 2.29 0.01 -1.26 -1.84 113.70 120.39 3ead s SER 499 Ca 0.06 0.40 -0.03 0.00 1.31 0.00 0.00 55.95 57.69 3ead s SER 499 Cb -0.17 -2.15 0.14 0.00 0.21 0.00 0.00 66.02 64.06 3ead s SER 499 CO 0.09 0.12 0.35 -0.36 0.41 0.00 0.00 173.24 173.85 3ead s PHE 500 N 0.48 3.47 1.00 2.43 0.40 0.90 -4.95 117.98 121.71 3ead s PHE 500 Ca 0.13 -2.60 -0.11 0.00 -0.60 0.00 0.00 56.93 53.75 3ead s PHE 500 Cb -0.12 -3.21 0.17 0.00 0.51 0.00 0.00 43.02 40.37 3ead s PHE 500 CO 0.02 -0.89 0.99 -2.30 0.70 0.00 0.00 175.22 173.74 3ead n PRO 501 N 3.90 -1.03 -1.62 0.24 -0.02 -1.26 -2.17 135.00 133.04 3ead n PRO 501 Ca 0.04 -0.25 -0.46 0.00 -2.02 0.00 0.00 63.50 60.81 3ead n PRO 501 Cb 0.39 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 3ead n PRO 501 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ead n PRO 502 N -4.10 1.55 0.00 0.52 -0.02 -1.26 -1.81 135.00 129.88 3ead n PRO 502 Ca 0.09 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3ead n PRO 502 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3ead n PRO 502 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ead n GLY 503 N 1.75 3.38 3.64 -1.23 0.00 0.12 -4.98 105.19 107.87 3ead n GLY 503 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3ead n GLY 503 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ead s VAL 504 N -2.55 4.80 -0.40 1.61 0.11 -0.75 -4.98 120.40 118.24 3ead s VAL 504 Ca 0.00 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 3ead s VAL 504 Cb 0.00 -3.16 0.10 0.00 -1.53 0.00 0.00 36.38 31.80 3ead s VAL 504 CO 0.00 0.47 1.01 -0.90 -3.33 0.00 0.00 175.10 172.34 3ead n ASP 505 N 3.46 2.16 -3.91 3.54 5.68 -1.26 -4.64 116.55 121.59 3ead n ASP 505 Ca -0.17 -1.83 -0.10 0.00 -0.50 0.00 0.00 54.79 52.20 3ead n ASP 505 Cb 0.52 -0.07 -0.09 0.00 -1.14 0.00 0.00 41.12 40.34 3ead n ASP 505 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3ead s GLU 506 N -0.87 0.63 0.00 0.11 -1.05 -1.26 -1.33 118.70 114.93 3ead s GLU 506 Ca 0.08 -0.73 -0.00 0.00 -0.15 0.00 0.00 54.97 54.17 3ead s GLU 506 Cb 0.05 0.25 -0.00 0.00 -0.44 0.00 0.00 34.13 33.98 3ead s GLU 506 CO 0.06 -0.16 -0.00 -0.65 0.95 0.00 0.00 175.26 175.45 3ead s GLN 507 N -2.66 0.08 0.04 -4.83 -1.52 -0.51 -4.99 119.66 105.27 3ead s GLN 507 Ca -0.04 -0.13 0.08 0.00 -1.95 0.00 0.00 55.36 53.32 3ead s GLN 507 Cb -0.01 0.03 -0.03 0.00 -0.22 0.00 0.00 33.01 32.78 3ead s GLN 507 CO -0.05 -0.01 -0.24 1.03 -0.25 0.00 0.00 175.29 175.77 3ead s ARG 508 N -0.33 1.61 0.02 2.91 0.52 -1.26 -0.97 118.95 121.45 3ead s ARG 508 Ca -0.04 -1.03 -0.05 0.00 -0.52 0.00 0.00 55.73 54.09 3ead s ARG 508 Cb -0.02 -1.76 -0.01 0.00 0.52 0.00 0.00 34.95 33.68 3ead s ARG 508 CO -0.00 0.45 0.07 -0.59 0.02 0.00 0.00 175.30 175.25 3ead s PHE 509 N -0.80 0.15 -0.13 -0.53 -0.71 0.35 -4.96 117.98 111.35 3ead s PHE 509 Ca 0.10 -0.34 -0.10 0.00 -1.04 0.00 0.00 56.93 55.55 3ead s PHE 509 Cb -0.09 -0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.55 3ead s PHE 509 CO 0.02 -0.27 0.20 1.03 -1.34 0.00 0.00 175.22 174.85 3ead s ARG 510 N -1.66 3.77 -0.16 1.99 1.81 -1.26 -0.10 118.95 123.34 3ead s ARG 510 Ca -0.13 -0.04 0.01 0.00 -1.72 0.00 0.00 55.73 53.85 3ead s ARG 510 Cb -0.07 -3.27 0.01 0.00 -0.45 0.00 0.00 34.95 31.17 3ead s ARG 510 CO -0.00 0.59 -0.19 0.42 -0.68 0.00 0.00 175.30 175.43 3ead s ILE 511 N -0.54 2.21 0.17 1.52 -1.09 0.71 -4.95 121.20 119.23 3ead s ILE 511 Ca 0.15 -0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 57.36 3ead s ILE 511 Cb -0.13 -1.91 -0.07 0.00 -1.58 0.00 0.00 42.46 38.77 3ead s ILE 511 CO 0.04 0.54 0.96 -0.70 -1.23 0.00 0.00 174.94 174.55 3ead s GLU 512 N 1.02 4.76 -0.15 2.79 2.12 -1.26 -2.09 118.70 125.90 3ead s GLU 512 Ca -0.02 1.49 -0.02 0.00 0.36 0.00 0.00 54.97 56.78 3ead s GLU 512 Cb -0.14 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 3ead s GLU 512 CO -0.06 0.33 -0.07 0.08 -0.54 0.00 0.00 175.26 175.00 3ead s VAL 513 N -0.52 3.56 -0.32 3.70 1.01 0.69 -2.07 120.40 126.44 3ead s VAL 513 Ca 0.45 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 3ead s VAL 513 Cb -0.25 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 3ead s VAL 513 CO 0.31 0.51 0.68 -0.63 0.00 0.00 0.00 175.10 175.97 3ead s ILE 514 N 0.36 4.88 -0.08 2.22 1.01 -0.12 -4.20 121.20 125.27 3ead s ILE 514 Ca -0.07 0.87 -0.15 0.00 0.00 0.00 0.00 60.65 61.31 3ead s ILE 514 Cb -0.15 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 3ead s ILE 514 CO 0.04 -0.23 0.38 -0.62 0.00 0.00 0.00 174.94 174.51 3ead s ASP 515 N 1.69 6.65 0.00 3.58 3.68 -1.26 -4.65 116.67 126.36 3ead s ASP 515 Ca 0.27 0.77 0.00 0.00 2.13 0.00 0.00 52.55 55.72 3ead s ASP 515 Cb -0.14 -2.23 0.00 0.00 -1.45 0.00 0.00 42.92 39.10 3ead s ASP 515 CO 0.13 0.19 0.00 -0.90 0.13 0.00 0.00 175.17 174.72 3ead n ASP 516 N 2.78 0.13 -0.03 -0.34 3.85 -1.26 -5.08 116.55 116.59 3ead n ASP 516 Ca -0.12 0.00 0.01 0.00 -0.71 0.00 0.00 54.79 53.97 3ead n ASP 516 Cb 0.52 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.29 3ead n ASP 516 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3ead n ASP 517 N 0.00 0.58 -4.72 -1.12 10.43 -1.26 -4.95 116.55 115.52 3ead n ASP 517 Ca 0.00 -0.79 -0.42 0.00 2.57 0.00 0.00 54.79 56.15 3ead n ASP 517 Cb 0.00 0.52 -0.03 0.00 1.84 0.00 0.00 41.12 43.45 3ead n ASP 517 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3ead s VAL 518 N -0.66 4.73 0.14 2.53 1.01 -1.26 -4.82 120.40 122.07 3ead s VAL 518 Ca 0.01 2.03 -0.31 0.00 0.00 0.00 0.00 61.98 63.71 3ead s VAL 518 Cb 0.01 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 3ead s VAL 518 CO 0.04 0.20 1.63 0.12 0.00 0.00 0.00 175.10 177.09 3ead s PHE 519 N 0.75 2.80 0.06 5.22 2.19 -1.26 -4.71 117.98 123.02 3ead s PHE 519 Ca 0.51 0.46 0.04 0.00 0.33 0.00 0.00 56.93 58.27 3ead s PHE 519 Cb -0.22 -3.98 -0.03 0.00 -1.31 0.00 0.00 43.02 37.48 3ead s PHE 519 CO 0.29 -3.75 -0.12 -1.21 1.83 0.00 0.00 175.22 172.26 3ead s GLU 520 N 1.68 0.71 0.85 10.12 2.02 -1.26 -5.00 118.70 127.82 3ead s GLU 520 Ca 0.72 -0.84 -0.12 0.00 0.02 0.00 0.00 54.97 54.76 3ead s GLU 520 Cb -0.43 -0.63 0.10 0.00 0.10 0.00 0.00 34.13 33.27 3ead s GLU 520 CO 0.32 0.14 1.10 -1.21 0.02 0.00 0.00 175.26 175.62 3ead s GLU 521 N -1.58 1.66 0.26 1.61 2.02 -1.26 -4.49 118.70 116.92 3ead s GLU 521 Ca -0.05 0.71 -0.31 0.00 0.02 0.00 0.00 54.97 55.35 3ead s GLU 521 Cb -0.10 -1.86 -0.13 0.00 0.10 0.00 0.00 34.13 32.14 3ead s GLU 521 CO 0.01 -1.94 1.38 -0.25 0.02 0.00 0.00 175.26 174.48 3ead n ASP 522 N -3.66 2.71 -4.14 -0.19 8.00 -1.26 -4.68 116.55 113.33 3ead n ASP 522 Ca 0.07 1.15 -0.16 0.00 0.71 0.00 0.00 54.79 56.57 3ead n ASP 522 Cb 0.56 -1.43 -0.11 0.00 -0.02 0.00 0.00 41.12 40.11 3ead n ASP 522 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ead s GLU 523 N -0.68 0.75 0.06 -1.24 2.02 -0.92 -4.99 118.70 113.70 3ead s GLU 523 Ca 0.66 -0.96 0.08 0.00 0.02 0.00 0.00 54.97 54.77 3ead s GLU 523 Cb -0.64 -0.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.96 3ead s GLU 523 CO 0.52 0.12 -0.22 0.00 0.02 0.00 0.00 175.26 175.69 3ead s PHE 525 N -0.90 1.78 0.26 0.00 -0.12 0.13 -1.03 117.98 118.10 3ead s PHE 525 Ca 0.09 -1.35 0.04 0.00 -0.05 0.00 0.00 56.93 55.66 3ead s PHE 525 Cb -0.09 -1.13 -0.06 0.00 -0.63 0.00 0.00 43.02 41.11 3ead s PHE 525 CO 0.03 -0.37 0.02 0.71 -0.05 0.00 0.00 175.22 175.56 3ead s TYR 526 N -3.19 1.69 -0.03 3.49 1.51 -0.65 -0.94 117.35 119.24 3ead s TYR 526 Ca 0.23 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 3ead s TYR 526 Cb 0.02 -1.02 0.03 0.00 -0.11 0.00 0.00 41.96 40.88 3ead s TYR 526 CO 0.15 -0.03 0.00 0.42 -1.11 0.00 0.00 175.55 174.99 3ead s ILE 527 N -3.39 0.15 -0.12 2.71 1.01 -0.34 -0.33 121.20 120.89 3ead s ILE 527 Ca 0.32 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 3ead s ILE 527 Cb 0.06 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 3ead s ILE 527 CO 0.11 0.14 -0.06 -0.13 0.00 0.00 0.00 174.94 175.00 3ead s ARG 528 N 1.04 3.25 0.09 2.79 0.52 0.13 0.47 118.95 127.25 3ead s ARG 528 Ca -0.09 -0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 54.53 3ead s ARG 528 Cb -0.13 -2.75 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 3ead s ARG 528 CO -0.02 0.43 0.32 -0.51 0.02 0.00 0.00 175.30 175.54 3ead s LEU 529 N -0.16 4.31 0.20 2.53 1.43 -0.59 -1.67 118.68 124.74 3ead s LEU 529 Ca 0.02 0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 53.42 3ead s LEU 529 Cb -0.13 -3.08 0.05 0.00 0.03 0.00 0.00 46.19 43.06 3ead s LEU 529 CO 0.03 0.13 0.82 0.72 0.23 0.00 0.00 176.35 178.27 3ead s PHE 530 N -1.53 -0.21 -1.22 0.29 -0.71 -0.14 -4.95 117.98 109.51 3ead s PHE 530 Ca 0.36 -0.15 -0.10 0.00 -1.04 0.00 0.00 56.93 56.01 3ead s PHE 530 Cb -0.13 0.66 -0.01 0.00 -1.21 0.00 0.00 43.02 42.33 3ead s PHE 530 CO 0.23 -0.99 0.72 0.09 -1.34 0.00 0.00 175.22 173.93 3ead n ASN 531 N -0.44 -3.39 -4.77 1.98 3.02 -1.26 -0.85 115.26 109.54 3ead n ASN 531 Ca -0.06 -0.93 -0.36 0.00 -0.03 0.00 0.00 54.58 53.21 3ead n ASN 531 Cb 0.60 -3.71 0.01 0.00 -0.61 0.00 0.00 39.78 36.07 3ead n ASN 531 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ead s PRO 532 N -5.91 3.22 1.04 3.52 0.04 -1.26 -3.95 135.00 131.71 3ead s PRO 532 Ca 0.26 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 3ead s PRO 532 Cb -0.08 -2.00 0.21 0.00 0.04 0.00 0.00 34.50 32.67 3ead s PRO 532 CO 0.84 -0.98 1.12 -1.54 0.04 0.00 0.00 177.00 176.48 3ead s SER 533 N -1.67 2.28 -0.42 6.66 1.04 -0.24 -4.82 113.70 116.53 3ead s SER 533 Ca 0.74 0.94 -0.44 0.00 0.48 0.00 0.00 55.95 57.67 3ead s SER 533 Cb -0.27 -1.44 -0.18 0.00 0.10 0.00 0.00 66.02 64.23 3ead s SER 533 CO 0.30 -3.32 1.73 -0.62 0.98 0.00 0.00 173.24 172.31 3ead n GLU 534 N -4.26 0.42 -0.37 4.02 -0.58 -1.26 -1.28 120.64 117.33 3ead n GLU 534 Ca 0.08 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 3ead n GLU 534 Cb 0.58 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 3ead n GLU 534 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ead n GLY 535 N 4.53 1.44 3.73 0.62 0.00 -1.26 -5.01 105.19 109.24 3ead n GLY 535 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 3ead n GLY 535 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ead s VAL 536 N -3.07 5.30 -0.00 1.61 1.01 -0.41 -4.72 120.40 120.13 3ead s VAL 536 Ca 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 3ead s VAL 536 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3ead s VAL 536 CO 0.00 0.39 0.11 -0.54 0.00 0.00 0.00 175.10 175.06 3ead s LYS 537 N 0.44 3.15 0.51 2.72 3.01 -1.04 -4.67 119.74 123.86 3ead s LYS 537 Ca 0.17 -0.45 -0.18 0.00 -1.01 0.00 0.00 55.97 54.49 3ead s LYS 537 Cb -0.13 -2.91 -0.07 0.00 -1.01 0.00 0.00 37.83 33.71 3ead s LYS 537 CO 0.04 0.65 1.02 -0.51 0.51 0.00 0.00 175.35 177.06 3ead s LEU 538 N -1.81 3.71 0.18 3.17 1.43 -1.26 -1.55 118.68 122.54 3ead s LEU 538 Ca 0.24 1.78 0.04 0.00 -1.03 0.00 0.00 54.13 55.16 3ead s LEU 538 Cb -0.12 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.51 3ead s LEU 538 CO 0.15 -0.77 -0.06 0.00 0.23 0.00 0.00 176.35 175.90 3ead s ALA 539 N -2.29 1.56 0.10 4.21 0.00 -0.36 -4.82 121.76 120.16 3ead s ALA 539 Ca 0.63 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 3ead s ALA 539 Cb -0.14 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 23.15 3ead s ALA 539 CO 0.26 -0.16 1.18 0.54 0.00 0.00 0.00 175.76 177.58 3ead s VAL 540 N -3.38 3.94 -0.19 0.00 0.11 -1.26 -2.34 120.40 117.27 3ead s VAL 540 Ca 0.21 1.47 -0.25 0.00 -2.93 0.00 0.00 61.98 60.48 3ead s VAL 540 Cb 0.04 -3.94 -0.01 0.00 -1.53 0.00 0.00 36.38 30.94 3ead s VAL 540 CO 0.03 0.16 0.81 -2.16 -3.33 0.00 0.00 175.10 170.61 3ead s PRO 541 N 0.61 4.26 0.00 1.54 0.04 -1.26 -4.97 135.00 135.22 3ead s PRO 541 Ca 0.56 0.95 0.15 0.00 0.04 0.00 0.00 61.00 62.70 3ead s PRO 541 Cb -0.30 -3.59 0.08 0.00 0.04 0.00 0.00 34.50 30.72 3ead s PRO 541 CO 0.31 -0.37 0.92 0.00 0.04 0.00 0.00 177.00 177.90 3ead n MET 542 N 5.42 1.36 -4.28 4.56 0.00 -0.99 -1.73 117.12 121.47 3ead n MET 542 Ca 0.04 -1.18 -0.30 0.00 0.00 0.00 0.00 57.70 56.26 3ead n MET 542 Cb 0.49 -1.27 -0.16 0.00 0.00 0.00 0.00 33.22 32.27 3ead n MET 542 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3ead s ILE 543 N -1.44 1.67 0.19 3.17 1.01 -1.26 -1.54 121.20 123.00 3ead s ILE 543 Ca 0.16 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 3ead s ILE 543 Cb 0.12 -1.53 -0.08 0.00 0.01 0.00 0.00 42.46 40.99 3ead s ILE 543 CO 0.25 0.47 0.67 0.00 0.00 0.00 0.00 174.94 176.33 3ead s ALA 544 N 1.19 3.47 -0.08 9.38 0.00 0.18 -4.90 121.76 131.01 3ead s ALA 544 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 3ead s ALA 544 Cb -0.14 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 3ead s ALA 544 CO -0.06 0.37 -0.04 -0.08 0.00 0.00 0.00 175.76 175.95 3ead s THR 545 N -1.49 3.95 -0.11 0.00 -1.32 -0.54 -1.20 115.64 114.93 3ead s THR 545 Ca 0.41 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 3ead s THR 545 Cb -0.16 -2.64 0.02 0.00 -1.51 0.00 0.00 72.50 68.21 3ead s THR 545 CO 0.20 0.60 -0.09 -0.69 -2.21 0.00 0.00 174.62 172.43 3ead s VAL 546 N -0.78 1.11 -0.27 5.08 1.01 -0.12 -1.19 120.40 125.24 3ead s VAL 546 Ca 0.12 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 3ead s VAL 546 Cb -0.11 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 3ead s VAL 546 CO 0.02 0.38 0.17 -0.32 0.00 0.00 0.00 175.10 175.34 3ead s MET 547 N 1.47 3.93 -0.18 2.72 1.75 -0.09 -0.70 119.30 128.21 3ead s MET 547 Ca 0.01 -0.33 -0.16 0.00 -1.25 0.00 0.00 55.69 53.96 3ead s MET 547 Cb -0.13 -3.60 -0.04 0.00 2.84 0.00 0.00 34.83 33.90 3ead s MET 547 CO -0.06 -0.15 0.39 0.42 -0.65 0.00 0.00 175.02 174.97 3ead s ILE 548 N 1.64 5.22 -0.24 10.11 1.01 0.11 -1.17 121.20 137.88 3ead s ILE 548 Ca 0.07 0.71 -0.11 0.00 0.00 0.00 0.00 60.65 61.32 3ead s ILE 548 Cb -0.16 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3ead s ILE 548 CO 0.09 0.29 0.17 -0.76 0.00 0.00 0.00 174.94 174.73 3ead s LEU 549 N 1.04 4.11 0.55 2.97 1.43 -0.11 -2.18 118.68 126.50 3ead s LEU 549 Ca 0.19 0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 53.23 3ead s LEU 549 Cb -0.14 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 3ead s LEU 549 CO 0.07 0.05 1.07 -0.62 0.23 0.00 0.00 176.35 177.15 3ead s ASP 550 N 1.11 5.90 -0.13 2.29 2.15 -1.26 -1.04 116.67 125.68 3ead s ASP 550 Ca 0.08 1.95 0.15 0.00 0.43 0.00 0.00 52.55 55.15 3ead s ASP 550 Cb -0.14 -2.55 0.31 0.00 -0.30 0.00 0.00 42.92 40.24 3ead s ASP 550 CO 0.05 -1.09 1.16 -0.90 -0.17 0.00 0.00 175.17 174.22 3ead n ASP 551 N -1.55 1.79 -4.60 -0.34 5.75 -1.26 -4.87 116.55 111.47 3ead n ASP 551 Ca 0.10 -3.17 -0.31 0.00 -0.01 0.00 0.00 54.79 51.39 3ead n ASP 551 Cb 0.52 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 40.08 3ead n ASP 551 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3ead s ASP 552 N -2.74 4.61 -0.73 -1.12 1.01 -1.26 -5.04 116.67 111.41 3ead s ASP 552 Ca 0.31 -0.22 -0.03 0.00 0.71 0.00 0.00 52.55 53.33 3ead s ASP 552 Cb 0.29 -1.03 0.26 0.00 1.01 0.00 0.00 42.92 43.46 3ead s ASP 552 CO -0.02 0.24 2.25 1.41 0.21 0.00 0.00 175.17 179.26 3ead n HIS 553 N 1.18 2.56 -0.10 4.23 8.25 -1.26 -4.73 115.22 125.36 3ead n HIS 553 Ca -0.14 -2.21 0.00 0.00 -0.26 0.00 0.00 57.72 55.11 3ead n HIS 553 Cb 0.52 -1.25 0.00 0.00 1.12 0.00 0.00 29.99 30.39 3ead n HIS 553 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98