#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifr s SER 433 N 0.00 5.64 0.13 1.61 0.01 0.36 -4.81 113.70 116.64 1ifr s SER 433 Ca 0.00 1.95 -0.25 0.00 1.31 0.00 0.00 55.95 58.96 1ifr s SER 433 Cb 0.00 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.75 1ifr s SER 433 CO 0.00 -1.27 0.79 -1.38 0.41 0.00 0.00 173.24 171.79 1ifr s HIS 434 N -2.24 -0.33 -0.18 2.43 -0.00 -1.26 -0.36 115.29 113.35 1ifr s HIS 434 Ca 0.67 0.08 -0.16 0.00 -0.00 0.00 0.00 55.06 55.64 1ifr s HIS 434 Cb -0.19 0.60 0.05 0.00 -0.00 0.00 0.00 32.58 33.04 1ifr s HIS 434 CO 0.34 -0.82 0.48 0.50 -0.00 0.00 0.00 174.74 175.25 1ifr s ARG 435 N -3.48 0.55 -0.10 -0.38 3.00 -0.78 -4.97 118.95 112.80 1ifr s ARG 435 Ca 0.06 0.69 -0.03 0.00 -1.00 0.00 0.00 55.73 55.45 1ifr s ARG 435 Cb -0.02 0.25 0.04 0.00 0.00 0.00 0.00 34.95 35.23 1ifr s ARG 435 CO -0.05 -0.07 0.08 0.99 0.00 0.00 0.00 175.30 176.24 1ifr s THR 436 N 0.35 -0.11 -0.14 4.11 2.01 -1.26 -1.06 115.64 119.53 1ifr s THR 436 Ca -0.01 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1ifr s THR 436 Cb -0.04 -0.33 -0.00 0.00 0.01 0.00 0.00 72.50 72.14 1ifr s THR 436 CO -0.01 -0.01 -0.17 -0.94 -0.69 0.00 0.00 174.62 172.80 1ifr s SER 437 N 2.16 3.53 0.00 3.53 1.04 -0.01 -5.02 113.70 118.93 1ifr s SER 437 Ca 0.04 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1ifr s SER 437 Cb -0.14 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1ifr s SER 437 CO -0.06 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1ifr n GLY 438 N 3.96 -1.74 0.06 7.32 0.00 -1.26 -4.62 105.19 108.92 1ifr n GLY 438 Ca -0.19 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 43.90 1ifr n GLY 438 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ifr h ARG 439 N 0.00 0.01 -5.30 1.61 3.08 -1.95 -3.47 114.38 108.37 1ifr h ARG 439 Ca 0.00 -0.02 -0.64 0.00 0.07 0.00 0.00 59.98 59.39 1ifr h ARG 439 Cb 0.00 0.01 -0.21 0.00 0.08 0.00 0.00 29.97 29.84 1ifr h ARG 439 CO 0.00 0.98 -0.66 0.08 -1.07 0.00 0.00 179.97 179.30 1ifr s VAL 440 N -2.70 3.92 0.20 2.04 1.01 -1.26 -0.79 120.40 122.82 1ifr s VAL 440 Ca 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.72 1ifr s VAL 440 Cb 0.10 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1ifr s VAL 440 CO 0.82 0.49 -0.03 0.00 0.00 0.00 0.00 175.10 176.38 1ifr s ALA 441 N 0.37 3.11 -0.62 5.51 0.00 -0.07 -4.69 121.76 125.38 1ifr s ALA 441 Ca -0.04 -1.49 -0.20 0.00 0.00 0.00 0.00 51.96 50.23 1ifr s ALA 441 Cb -0.14 -0.84 0.09 0.00 0.00 0.00 0.00 23.12 22.23 1ifr s ALA 441 CO 0.03 0.41 0.80 0.08 0.00 0.00 0.00 175.76 177.08 1ifr s VAL 442 N -1.91 4.64 0.10 0.00 1.01 -1.26 -1.17 120.40 121.80 1ifr s VAL 442 Ca 0.28 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1ifr s VAL 442 Cb -0.08 -4.56 -0.18 0.00 0.00 0.00 0.00 36.38 31.56 1ifr s VAL 442 CO 0.18 -1.24 1.27 -0.08 0.00 0.00 0.00 175.10 175.23 1ifr h GLU 443 N 9.33 0.72 -2.60 2.72 4.81 -1.27 -3.44 114.58 124.85 1ifr h GLU 443 Ca -0.29 -0.66 -0.11 0.00 -0.13 0.00 0.00 59.36 58.17 1ifr h GLU 443 Cb 1.08 0.16 -0.23 0.00 0.63 0.00 0.00 28.75 30.39 1ifr h GLU 443 CO 1.13 1.26 -0.17 -2.00 -0.73 0.00 0.00 179.01 178.51 1ifr s GLU 444 N -3.56 0.55 -0.24 1.92 2.12 -1.00 -5.00 118.70 113.49 1ifr s GLU 444 Ca -0.10 0.65 0.02 0.00 0.36 0.00 0.00 54.97 55.91 1ifr s GLU 444 Cb 0.08 0.27 0.05 0.00 0.26 0.00 0.00 34.13 34.79 1ifr s GLU 444 CO 0.91 -0.07 -0.13 0.08 -0.54 0.00 0.00 175.26 175.51 1ifr s VAL 445 N 0.25 2.17 0.05 3.70 1.01 -1.26 -1.02 120.40 125.29 1ifr s VAL 445 Ca -0.00 -1.43 -0.31 0.00 0.00 0.00 0.00 61.98 60.25 1ifr s VAL 445 Cb -0.03 -2.17 -0.08 0.00 0.00 0.00 0.00 36.38 34.10 1ifr s VAL 445 CO 0.01 0.13 1.60 -0.62 0.00 0.00 0.00 175.10 176.22 1ifr s ASP 446 N 1.16 6.66 0.53 3.32 2.15 -0.88 -4.88 116.67 124.73 1ifr s ASP 446 Ca -0.05 2.40 0.30 0.00 0.43 0.00 0.00 52.55 55.63 1ifr s ASP 446 Cb -0.18 -2.56 1.48 0.00 -0.30 0.00 0.00 42.92 41.36 1ifr s ASP 446 CO -0.07 -0.85 2.06 -0.33 -0.17 0.00 0.00 175.17 175.81 1ifr h GLU 447 N 8.25 0.00 -0.07 4.34 5.08 -1.94 -0.98 114.58 129.27 1ifr h GLU 447 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1ifr h GLU 447 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ifr h GLU 447 CO 0.92 0.10 0.00 0.39 -1.00 0.00 0.00 179.01 179.43 1ifr n GLU 448 N -3.47 1.34 -1.37 2.33 1.02 -1.26 -4.70 120.64 114.53 1ifr n GLU 448 Ca -0.01 -0.51 -0.13 0.00 -0.02 0.00 0.00 57.16 56.49 1ifr n GLU 448 Cb 0.25 -1.37 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 1ifr n GLU 448 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ifr n GLY 449 N 0.97 1.33 0.10 0.62 0.00 -0.37 -4.88 105.19 102.96 1ifr n GLY 449 Ca 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 1ifr n GLY 449 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ifr h LYS 450 N 0.04 0.00 -3.12 1.61 1.57 -1.91 0.17 116.57 114.93 1ifr h LYS 450 Ca -0.26 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1ifr h LYS 450 Cb 0.93 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.18 1ifr h LYS 450 CO 0.38 0.57 0.16 -0.59 -0.57 0.00 0.00 179.45 179.41 1ifr s PHE 451 N -2.82 -0.12 -0.05 -1.35 -0.12 -1.26 -1.31 117.98 110.95 1ifr s PHE 451 Ca -0.00 -0.30 -0.00 0.00 -0.05 0.00 0.00 56.93 56.57 1ifr s PHE 451 Cb 0.09 0.60 0.03 0.00 -0.63 0.00 0.00 43.02 43.10 1ifr s PHE 451 CO 0.80 -1.16 -0.01 0.08 -0.05 0.00 0.00 175.22 174.88 1ifr s VAL 452 N -3.92 0.32 -0.13 -2.49 1.01 -0.85 -2.06 120.40 112.27 1ifr s VAL 452 Ca 0.12 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1ifr s VAL 452 Cb -0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1ifr s VAL 452 CO 0.06 0.20 -0.10 -0.60 0.00 0.00 0.00 175.10 174.66 1ifr s ARG 453 N 1.35 3.38 0.18 2.72 3.52 -0.19 -0.69 118.95 129.22 1ifr s ARG 453 Ca -0.05 -0.63 0.08 0.00 -0.13 0.00 0.00 55.73 55.00 1ifr s ARG 453 Cb -0.13 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 1ifr s ARG 453 CO -0.02 0.28 -0.00 -0.51 -0.81 0.00 0.00 175.30 174.23 1ifr s LEU 454 N 0.21 3.29 -0.02 -0.88 1.43 -0.01 -0.77 118.68 121.93 1ifr s LEU 454 Ca -0.06 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1ifr s LEU 454 Cb -0.15 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1ifr s LEU 454 CO 0.04 0.08 0.02 -0.60 0.23 0.00 0.00 176.35 176.13 1ifr s ARG 455 N -3.01 -0.03 -0.59 1.70 3.52 -0.32 -1.62 118.95 118.60 1ifr s ARG 455 Ca 0.28 0.16 -0.25 0.00 -0.13 0.00 0.00 55.73 55.79 1ifr s ARG 455 Cb -0.09 -0.21 0.04 0.00 -1.56 0.00 0.00 34.95 33.14 1ifr s ARG 455 CO 0.19 -0.14 1.00 1.21 -0.81 0.00 0.00 175.30 176.75 1ifr s ASN 456 N 0.89 6.31 0.00 -2.12 3.84 0.47 -0.89 114.94 123.43 1ifr s ASN 456 Ca -0.07 -0.43 0.26 0.00 0.21 0.00 0.00 52.86 52.83 1ifr s ASN 456 Cb -0.11 -2.46 1.22 0.00 -0.55 0.00 0.00 41.25 39.36 1ifr s ASN 456 CO -0.02 -1.35 1.83 0.29 -2.79 0.00 0.00 177.10 175.06 1ifr n LYS 457 N 7.77 1.40 -2.83 0.43 5.02 0.03 -1.02 118.16 128.96 1ifr n LYS 457 Ca 0.02 -0.58 -0.21 0.00 -2.02 0.00 0.00 58.31 55.51 1ifr n LYS 457 Cb 0.47 -1.44 0.08 0.00 -0.02 0.00 0.00 35.03 34.13 1ifr n LYS 457 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ifr s SER 458 N -1.84 4.76 -0.15 4.39 1.04 -1.24 -4.80 113.70 115.86 1ifr s SER 458 Ca 0.38 -0.62 0.17 0.00 0.48 0.00 0.00 55.95 56.36 1ifr s SER 458 Cb 0.19 0.14 0.76 0.00 0.10 0.00 0.00 66.02 67.21 1ifr s SER 458 CO 0.31 -1.57 1.67 -0.46 0.98 0.00 0.00 173.24 174.17 1ifr n ASN 459 N -2.51 5.08 -4.18 7.02 6.94 -1.26 -1.79 115.26 124.56 1ifr n ASN 459 Ca 0.15 -2.59 -0.22 0.00 -0.02 0.00 0.00 54.58 51.91 1ifr n ASN 459 Cb 0.61 -0.62 -0.14 0.00 -2.36 0.00 0.00 39.78 37.28 1ifr n ASN 459 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ifr s GLU 460 N -2.11 1.11 0.61 -3.83 2.02 -1.26 -4.85 118.70 110.39 1ifr s GLU 460 Ca 0.53 -0.80 -0.17 0.00 0.02 0.00 0.00 54.97 54.55 1ifr s GLU 460 Cb 0.36 -1.16 -0.03 0.00 0.10 0.00 0.00 34.13 33.41 1ifr s GLU 460 CO 0.22 0.29 1.12 -0.51 0.02 0.00 0.00 175.26 176.41 1ifr s ASP 461 N -1.08 5.37 -0.11 -0.19 1.01 -1.26 -3.88 116.67 116.52 1ifr s ASP 461 Ca 0.04 2.09 0.01 0.00 0.71 0.00 0.00 52.55 55.40 1ifr s ASP 461 Cb -0.08 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.30 1ifr s ASP 461 CO 0.01 -1.46 -0.15 -1.58 0.21 0.00 0.00 175.17 172.21 1ifr s GLN 462 N -3.73 2.20 0.05 8.23 2.00 -0.23 -4.90 119.66 123.28 1ifr s GLN 462 Ca 0.70 -0.55 -0.30 0.00 -2.00 0.00 0.00 55.36 53.21 1ifr s GLN 462 Cb -0.22 -1.90 -0.05 0.00 0.80 0.00 0.00 33.01 31.64 1ifr s GLN 462 CO 0.35 -0.09 1.05 0.45 -0.50 0.00 0.00 175.29 176.55 1ifr s SER 463 N 1.07 7.29 -0.06 6.67 0.15 -1.26 -1.08 113.70 126.48 1ifr s SER 463 Ca -0.05 1.83 0.09 0.00 0.70 0.00 0.00 55.95 58.52 1ifr s SER 463 Cb -0.15 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.72 1ifr s SER 463 CO -0.03 -0.29 1.03 0.23 1.20 0.00 0.00 173.24 175.38 1ifr n MET 464 N 3.57 1.02 -1.71 5.44 0.00 0.59 -4.96 117.12 121.07 1ifr n MET 464 Ca 0.06 -1.77 -0.43 0.00 0.00 0.00 0.00 57.70 55.57 1ifr n MET 464 Cb 0.49 -1.04 -0.03 0.00 0.00 0.00 0.00 33.22 32.64 1ifr n MET 464 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ifr n GLY 465 N -0.75 1.40 2.52 3.03 0.00 -1.20 -1.30 105.19 108.89 1ifr n GLY 465 Ca 0.07 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1ifr n GLY 465 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ifr n ASN 466 N 3.48 -4.52 -4.35 1.61 5.03 -0.61 -4.65 115.26 111.25 1ifr n ASN 466 Ca 0.15 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.30 1ifr n ASN 466 Cb 0.34 -2.03 0.17 0.00 -1.02 0.00 0.00 39.78 37.24 1ifr n ASN 466 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1ifr s TRP 467 N -1.49 1.75 0.20 3.10 0.52 -0.42 -4.25 118.94 118.35 1ifr s TRP 467 Ca 0.00 0.60 -0.13 0.00 0.02 0.00 0.00 56.10 56.59 1ifr s TRP 467 Cb 0.00 -3.62 0.00 0.00 -1.15 0.00 0.00 33.47 28.70 1ifr s TRP 467 CO 0.00 -2.81 0.43 1.14 0.02 0.00 0.00 176.95 175.73 1ifr s GLN 468 N -5.50 1.37 -0.12 4.98 -2.07 -0.27 -0.53 119.66 117.53 1ifr s GLN 468 Ca 0.68 -1.10 0.01 0.00 -1.82 0.00 0.00 55.36 53.13 1ifr s GLN 468 Cb -0.10 0.46 0.02 0.00 -1.09 0.00 0.00 33.01 32.29 1ifr s GLN 468 CO 0.54 -0.55 -0.14 0.42 -1.32 0.00 0.00 175.29 174.24 1ifr s ILE 469 N -3.96 1.42 -0.20 3.63 1.01 0.40 -0.53 121.20 122.97 1ifr s ILE 469 Ca 0.16 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 1ifr s ILE 469 Cb 0.00 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1ifr s ILE 469 CO 0.02 0.43 0.06 -0.54 0.00 0.00 0.00 174.94 174.91 1ifr s LYS 470 N 1.21 3.88 -0.15 2.79 1.02 0.12 -1.16 119.74 127.45 1ifr s LYS 470 Ca -0.02 -0.39 0.01 0.00 0.02 0.00 0.00 55.97 55.59 1ifr s LYS 470 Cb -0.14 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1ifr s LYS 470 CO -0.05 0.16 -0.18 0.50 -0.92 0.00 0.00 175.35 174.86 1ifr s ARG 471 N 0.67 3.13 -0.30 1.68 6.06 0.13 -0.64 118.95 129.69 1ifr s ARG 471 Ca 0.03 -0.79 0.00 0.00 -2.50 0.00 0.00 55.73 52.47 1ifr s ARG 471 Cb -0.13 -2.55 0.06 0.00 0.06 0.00 0.00 34.95 32.39 1ifr s ARG 471 CO 0.02 -0.01 -0.02 -1.14 -2.50 0.00 0.00 175.30 171.65 1ifr s GLN 472 N 0.84 2.24 -0.38 5.12 2.00 0.43 -1.25 119.66 128.66 1ifr s GLN 472 Ca -0.06 -1.40 -0.13 0.00 -2.00 0.00 0.00 55.36 51.78 1ifr s GLN 472 Cb -0.15 -3.11 0.02 0.00 0.80 0.00 0.00 33.01 30.56 1ifr s GLN 472 CO -0.01 -0.67 0.25 -0.80 -0.50 0.00 0.00 175.29 173.57 1ifr s ASN 473 N 1.21 5.95 1.53 6.67 0.01 -1.26 -1.03 114.94 128.02 1ifr s ASN 473 Ca -0.04 -0.84 0.00 0.00 -0.71 0.00 0.00 52.86 51.27 1ifr s ASN 473 Cb -0.20 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.35 1ifr s ASN 473 CO -0.03 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.78 1ifr n GLY 474 N 5.09 3.75 0.90 0.66 0.00 0.51 -0.95 105.19 115.15 1ifr n GLY 474 Ca -0.12 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1ifr n GLY 474 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ifr n ASP 475 N 6.57 3.74 -4.81 1.61 8.00 -1.26 -5.02 116.55 125.37 1ifr n ASP 475 Ca 0.00 -2.70 -0.31 0.00 0.71 0.00 0.00 54.79 52.49 1ifr n ASP 475 Cb 0.00 -0.46 0.06 0.00 -0.02 0.00 0.00 41.12 40.70 1ifr n ASP 475 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ifr s ASP 476 N -1.57 5.11 0.71 -2.24 1.01 -0.12 -5.01 116.67 114.56 1ifr s ASP 476 Ca 0.38 1.54 -0.15 0.00 0.71 0.00 0.00 52.55 55.02 1ifr s ASP 476 Cb 0.28 -2.37 0.03 0.00 1.01 0.00 0.00 42.92 41.87 1ifr s ASP 476 CO 0.12 -1.60 1.20 -2.84 0.21 0.00 0.00 175.17 172.25 1ifr s PRO 477 N -5.07 2.25 0.32 8.23 0.02 -1.26 -4.57 135.00 134.92 1ifr s PRO 477 Ca 0.59 1.74 -0.29 0.00 0.02 0.00 0.00 61.00 63.06 1ifr s PRO 477 Cb -0.14 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 1ifr s PRO 477 CO 0.55 -1.74 1.26 -0.51 -0.33 0.00 0.00 177.00 176.23 1ifr s LEU 478 N -5.04 4.45 -0.09 -5.54 1.02 -1.26 -4.72 118.68 107.49 1ifr s LEU 478 Ca 0.74 2.60 -0.03 0.00 0.02 0.00 0.00 54.13 57.46 1ifr s LEU 478 Cb -0.29 -3.65 -0.03 0.00 0.02 0.00 0.00 46.19 42.24 1ifr s LEU 478 CO 0.44 -0.46 0.03 -0.76 0.02 0.00 0.00 176.35 175.62 1ifr s LEU 479 N -1.74 3.73 -0.09 1.79 1.43 -0.38 -4.96 118.68 118.46 1ifr s LEU 479 Ca 0.48 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1ifr s LEU 479 Cb -0.38 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1ifr s LEU 479 CO 0.50 0.38 -0.07 -0.89 0.23 0.00 0.00 176.35 176.50 1ifr s THR 480 N -0.92 0.91 -0.16 5.49 2.01 -1.26 -0.69 115.64 121.02 1ifr s THR 480 Ca 0.14 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 1ifr s THR 480 Cb -0.11 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1ifr s THR 480 CO 0.03 0.33 0.02 -0.47 -0.69 0.00 0.00 174.62 173.85 1ifr s TYR 481 N 1.42 3.17 -0.11 4.92 5.04 -0.31 -4.96 117.35 126.52 1ifr s TYR 481 Ca -0.01 -0.02 -0.02 0.00 -2.44 0.00 0.00 57.07 54.58 1ifr s TYR 481 Cb -0.13 -1.99 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 1ifr s TYR 481 CO -0.04 0.15 -0.05 1.03 -1.34 0.00 0.00 175.55 175.30 1ifr s ARG 482 N 0.16 3.22 0.79 4.97 0.52 -1.26 -0.45 118.95 126.89 1ifr s ARG 482 Ca 0.02 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 54.60 1ifr s ARG 482 Cb -0.13 -2.76 0.07 0.00 0.52 0.00 0.00 34.95 32.64 1ifr s ARG 482 CO 0.01 0.47 1.09 -0.06 0.02 0.00 0.00 175.30 176.83 1ifr s PHE 483 N -0.26 2.68 0.93 -0.53 0.40 0.31 -4.99 117.98 116.53 1ifr s PHE 483 Ca 0.04 1.38 -0.10 0.00 -0.60 0.00 0.00 56.93 57.65 1ifr s PHE 483 Cb -0.13 -3.05 0.15 0.00 0.51 0.00 0.00 43.02 40.51 1ifr s PHE 483 CO 0.02 -1.81 1.12 -2.30 0.70 0.00 0.00 175.22 172.95 1ifr n PRO 484 N -3.50 -0.55 0.26 0.24 -0.02 -1.26 -4.01 135.00 126.16 1ifr n PRO 484 Ca 0.08 -0.10 0.15 0.00 -2.02 0.00 0.00 63.50 61.61 1ifr n PRO 484 Cb 0.54 -2.35 0.84 0.00 -0.02 0.00 0.00 33.50 32.51 1ifr n PRO 484 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ifr h PRO 485 N -1.93 0.00 -3.90 0.52 0.13 -1.93 -1.64 132.00 123.25 1ifr h PRO 485 Ca -0.44 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.29 1ifr h PRO 485 Cb 1.27 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.05 1ifr h PRO 485 CO 0.41 0.00 -0.77 -1.59 -0.23 0.00 0.00 178.00 175.82 1ifr s LYS 486 N -4.72 0.70 -0.28 0.86 -2.85 -1.26 -3.94 119.74 108.25 1ifr s LYS 486 Ca -0.05 -0.03 -0.21 0.00 -1.00 0.00 0.00 55.97 54.68 1ifr s LYS 486 Cb 0.16 -0.82 0.12 0.00 -2.06 0.00 0.00 37.83 35.23 1ifr s LYS 486 CO 0.57 -0.14 0.96 0.12 0.10 0.00 0.00 175.35 176.96 1ifr s PHE 487 N 1.19 -0.59 -0.10 1.78 5.36 -1.26 -4.86 117.98 119.50 1ifr s PHE 487 Ca -0.07 1.30 0.03 0.00 -0.96 0.00 0.00 56.93 57.23 1ifr s PHE 487 Cb -0.14 0.38 0.01 0.00 -0.34 0.00 0.00 43.02 42.93 1ifr s PHE 487 CO -0.02 -0.29 -0.18 0.99 -1.46 0.00 0.00 175.22 174.27 1ifr s THR 488 N 0.76 1.63 -0.39 0.12 2.01 -1.26 -0.30 115.64 118.20 1ifr s THR 488 Ca -0.02 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 1ifr s THR 488 Cb -0.05 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 71.04 1ifr s THR 488 CO -0.10 0.47 0.26 -0.22 -0.69 0.00 0.00 174.62 174.33 1ifr s LEU 489 N 0.67 4.94 0.73 4.42 2.96 -0.24 -4.95 118.68 127.20 1ifr s LEU 489 Ca -0.13 -0.94 -0.13 0.00 -0.22 0.00 0.00 54.13 52.71 1ifr s LEU 489 Cb -0.16 -2.10 0.04 0.00 0.50 0.00 0.00 46.19 44.46 1ifr s LEU 489 CO 0.03 -0.42 1.13 -0.54 -1.32 0.00 0.00 176.35 175.23 1ifr s LYS 490 N 1.63 2.36 0.14 1.98 1.02 -1.26 -1.07 119.74 124.54 1ifr s LYS 490 Ca 0.04 1.42 -0.34 0.00 0.02 0.00 0.00 55.97 57.11 1ifr s LYS 490 Cb -0.19 -1.89 -0.16 0.00 -0.52 0.00 0.00 37.83 35.07 1ifr s LYS 490 CO 0.09 -1.60 1.25 0.00 -0.92 0.00 0.00 175.35 174.17 1ifr n ALA 491 N -2.93 -0.68 -0.59 5.17 0.00 -1.25 -1.48 120.51 118.74 1ifr n ALA 491 Ca 0.11 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1ifr n ALA 491 Cb 0.52 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1ifr n ALA 491 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ifr n GLY 492 N 2.26 0.61 3.94 0.00 0.00 -0.19 -4.96 105.19 106.85 1ifr n GLY 492 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1ifr n GLY 492 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ifr s GLN 493 N -0.45 3.40 0.25 1.61 -1.52 -0.55 -4.71 119.66 117.67 1ifr s GLN 493 Ca 0.00 -0.35 0.09 0.00 -1.95 0.00 0.00 55.36 53.15 1ifr s GLN 493 Cb 0.00 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 30.12 1ifr s GLN 493 CO 0.00 0.05 -0.02 0.14 -0.25 0.00 0.00 175.29 175.21 1ifr s VAL 494 N -2.38 3.44 -0.05 1.09 -7.23 -1.26 -0.40 120.40 113.61 1ifr s VAL 494 Ca 0.42 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.74 1ifr s VAL 494 Cb -0.10 -2.81 0.03 0.00 0.56 0.00 0.00 36.38 34.06 1ifr s VAL 494 CO 0.37 -0.32 0.11 0.54 -0.31 0.00 0.00 175.10 175.49 1ifr s VAL 495 N -2.19 -0.04 -0.14 1.32 0.11 -0.64 -4.65 120.40 114.17 1ifr s VAL 495 Ca 0.30 0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 59.49 1ifr s VAL 495 Cb -0.07 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1ifr s VAL 495 CO 0.19 0.07 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.09 1ifr s THR 496 N 0.98 3.81 -0.36 5.04 2.01 -0.33 -0.83 115.64 125.97 1ifr s THR 496 Ca -0.08 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.45 1ifr s THR 496 Cb -0.10 -2.65 0.04 0.00 0.01 0.00 0.00 72.50 69.79 1ifr s THR 496 CO -0.04 0.51 0.15 -0.63 -0.69 0.00 0.00 174.62 173.92 1ifr s ILE 497 N 0.21 4.14 0.08 1.82 1.09 0.14 -0.72 121.20 127.95 1ifr s ILE 497 Ca -0.03 -1.03 -0.11 0.00 -1.10 0.00 0.00 60.65 58.38 1ifr s ILE 497 Cb -0.14 -3.34 -0.06 0.00 -1.06 0.00 0.00 42.46 37.86 1ifr s ILE 497 CO 0.03 -0.22 0.43 0.26 -0.10 0.00 0.00 174.94 175.35 1ifr s TRP 498 N 1.47 3.61 0.67 3.97 0.52 0.80 -2.01 118.94 127.96 1ifr s TRP 498 Ca 0.00 0.88 -0.11 0.00 0.02 0.00 0.00 56.10 56.89 1ifr s TRP 498 Cb -0.19 -2.22 -0.01 0.00 -1.15 0.00 0.00 33.47 29.90 1ifr s TRP 498 CO 0.05 0.52 1.05 0.00 0.02 0.00 0.00 176.95 178.59 1ifr s ALA 499 N -1.36 2.81 0.55 0.98 0.00 -0.42 0.30 121.76 124.61 1ifr s ALA 499 Ca 0.32 0.04 0.23 0.00 0.00 0.00 0.00 51.96 52.56 1ifr s ALA 499 Cb -0.15 -3.15 1.52 0.00 0.00 0.00 0.00 23.12 21.35 1ifr s ALA 499 CO 0.18 -1.05 2.16 0.00 0.00 0.00 0.00 175.76 177.05 1ifr h ALA 500 N -0.57 1.86 -0.68 0.00 0.00 -0.02 -2.86 119.26 116.99 1ifr h ALA 500 Ca -0.44 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.20 1ifr h ALA 500 Cb 1.20 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.84 1ifr h ALA 500 CO 0.58 -0.10 0.28 0.41 0.00 0.00 0.00 179.25 180.42 1ifr n GLY 501 N -1.46 4.18 0.58 0.00 0.00 -0.70 -4.48 105.19 103.31 1ifr n GLY 501 Ca -0.01 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 45.06 1ifr n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifr n ALA 502 N -0.65 2.68 -1.04 4.61 0.00 -1.08 -4.94 120.51 120.08 1ifr n ALA 502 Ca 0.42 -0.52 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1ifr n ALA 502 Cb 1.34 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 1ifr n ALA 502 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ifr n GLY 503 N 1.26 0.51 3.93 0.00 0.00 -1.26 -5.03 105.19 104.60 1ifr n GLY 503 Ca 0.16 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1ifr n GLY 503 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifr s ALA 504 N -1.95 3.95 -0.02 4.61 0.00 -1.26 -5.11 121.76 121.98 1ifr s ALA 504 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1ifr s ALA 504 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1ifr s ALA 504 CO 0.00 0.61 -0.07 0.99 0.00 0.00 0.00 175.76 177.29 1ifr s THR 505 N -1.69 3.66 -0.09 0.00 2.01 -1.26 -4.99 115.64 113.27 1ifr s THR 505 Ca 0.36 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 1ifr s THR 505 Cb -0.12 -2.55 -0.07 0.00 0.01 0.00 0.00 72.50 69.77 1ifr s THR 505 CO 0.28 0.47 2.10 1.57 -0.69 0.00 0.00 174.62 178.36 1ifr n HIS 506 N 1.81 2.23 -3.15 4.92 -0.00 -1.26 -4.79 115.22 114.98 1ifr n HIS 506 Ca -0.16 -0.25 -0.21 0.00 0.46 0.00 0.00 57.72 57.55 1ifr n HIS 506 Cb 0.53 -2.77 -0.06 0.00 -0.12 0.00 0.00 29.99 27.57 1ifr n HIS 506 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1ifr n SER 507 N 9.64 -0.60 -4.73 0.26 2.88 0.51 -5.00 113.62 116.58 1ifr n SER 507 Ca 0.25 -2.71 -0.34 0.00 -1.33 0.00 0.00 58.87 54.74 1ifr n SER 507 Cb 0.43 -0.15 0.09 0.00 -0.75 0.00 0.00 64.21 63.82 1ifr n SER 507 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ifr s PRO 508 N -0.53 2.23 0.00 -1.46 0.04 -1.14 -1.61 135.00 132.54 1ifr s PRO 508 Ca 0.34 1.66 0.23 0.00 0.04 0.00 0.00 61.00 63.27 1ifr s PRO 508 Cb 0.14 -1.85 0.68 0.00 0.04 0.00 0.00 34.50 33.50 1ifr s PRO 508 CO -0.15 -1.75 1.52 -0.35 0.04 0.00 0.00 177.00 176.32 1ifr n PRO 509 N -2.73 1.94 0.06 0.56 -0.04 -1.26 -4.83 135.00 128.70 1ifr n PRO 509 Ca 0.13 -1.40 -0.11 0.00 -0.04 0.00 0.00 63.50 62.08 1ifr n PRO 509 Cb 0.51 -1.44 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 1ifr n PRO 509 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1ifr h THR 510 N 2.94 1.48 -3.43 0.52 1.35 -1.78 -3.44 112.91 110.55 1ifr h THR 510 Ca 0.00 -3.16 -0.34 0.00 -0.55 0.00 0.00 66.41 62.36 1ifr h THR 510 Cb 0.64 2.81 -0.36 0.00 -1.73 0.00 0.00 68.15 69.51 1ifr h THR 510 CO 0.00 0.88 -0.74 -1.81 -0.25 0.00 0.00 175.52 173.60 1ifr s ASP 511 N -6.77 0.57 0.08 5.36 1.11 -0.63 -1.18 116.67 115.21 1ifr s ASP 511 Ca -0.02 0.03 0.09 0.00 0.18 0.00 0.00 52.55 52.82 1ifr s ASP 511 Cb 0.09 -0.15 -0.04 0.00 1.07 0.00 0.00 42.92 43.89 1ifr s ASP 511 CO 0.84 -0.16 -0.20 -0.76 1.18 0.00 0.00 175.17 176.07 1ifr s LEU 512 N 1.46 2.56 -0.14 1.23 1.43 0.10 -0.36 118.68 124.95 1ifr s LEU 512 Ca -0.04 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1ifr s LEU 512 Cb -0.13 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1ifr s LEU 512 CO -0.03 0.22 -0.10 -0.69 0.23 0.00 0.00 176.35 175.97 1ifr s VAL 513 N -1.02 3.30 -0.52 -1.59 1.01 -1.26 -0.14 120.40 120.18 1ifr s VAL 513 Ca 0.16 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1ifr s VAL 513 Cb -0.10 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.92 1ifr s VAL 513 CO 0.07 0.51 0.74 0.86 0.00 0.00 0.00 175.10 177.28 1ifr s TRP 514 N 0.36 2.96 -0.12 5.22 -0.00 0.15 -4.93 118.94 122.58 1ifr s TRP 514 Ca -0.09 -0.30 0.21 0.00 -0.00 0.00 0.00 56.10 55.93 1ifr s TRP 514 Cb -0.15 -3.71 0.51 0.00 -0.00 0.00 0.00 33.47 30.11 1ifr s TRP 514 CO 0.05 -1.13 1.65 0.87 -0.00 0.00 0.00 176.95 178.39 1ifr h LYS 515 N 9.10 0.00 0.00 5.86 1.79 -1.94 -2.08 116.57 129.29 1ifr h LYS 515 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1ifr h LYS 515 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1ifr h LYS 515 CO 1.00 0.25 0.00 0.00 -1.08 0.00 0.00 179.45 179.62 1ifr h ALA 516 N 1.75 1.00 -3.69 3.86 0.00 -1.98 -3.45 119.26 116.75 1ifr h ALA 516 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1ifr h ALA 516 Cb 1.02 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.50 1ifr h ALA 516 CO 0.03 0.00 -0.75 -0.65 0.00 0.00 0.00 179.25 177.88 1ifr s GLN 517 N -3.40 0.41 0.46 0.00 -1.52 -1.25 -5.03 119.66 109.34 1ifr s GLN 517 Ca 0.05 -0.07 0.25 0.00 -1.95 0.00 0.00 55.36 53.63 1ifr s GLN 517 Cb 0.08 -0.46 0.58 0.00 -0.22 0.00 0.00 33.01 33.00 1ifr s GLN 517 CO 0.55 -0.01 1.70 -0.91 -0.25 0.00 0.00 175.29 176.37 1ifr h ASN 518 N 6.60 0.00 -5.02 5.90 2.35 -1.86 0.11 115.58 123.67 1ifr h ASN 518 Ca -0.34 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.29 1ifr h ASN 518 Cb 1.17 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.35 1ifr h ASN 518 CO 0.49 0.04 -0.34 0.28 -1.65 0.00 0.00 177.43 176.24 1ifr s THR 519 N -3.32 0.08 -0.74 2.81 -1.32 -1.26 -1.73 115.64 110.16 1ifr s THR 519 Ca 0.05 -0.64 0.26 0.00 -1.21 0.00 0.00 61.69 60.15 1ifr s THR 519 Cb 0.06 -0.69 0.28 0.00 -1.51 0.00 0.00 72.50 70.64 1ifr s THR 519 CO 0.64 -0.35 1.79 0.79 -2.21 0.00 0.00 174.62 175.27 1ifr n TRP 520 N 1.08 0.82 0.00 9.09 7.02 0.61 -4.99 117.44 131.06 1ifr n TRP 520 Ca -0.21 0.24 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1ifr n TRP 520 Cb 0.57 -0.90 0.00 0.00 -2.42 0.00 0.00 31.31 28.56 1ifr n TRP 520 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ifr n GLY 521 N 1.20 2.25 3.44 6.99 0.00 -1.26 -4.92 105.19 112.91 1ifr n GLY 521 Ca 0.05 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 1ifr n GLY 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifr n GLY 523 N -0.67 -0.79 0.11 0.00 0.00 -1.26 -4.84 105.19 97.74 1ifr n GLY 523 Ca -0.03 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 1ifr n GLY 523 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ifr h ASN 524 N 0.00 0.32 -3.44 1.61 4.21 -1.98 -3.44 115.58 112.86 1ifr h ASN 524 Ca 0.00 -0.46 -0.60 0.00 1.21 0.00 0.00 56.30 56.45 1ifr h ASN 524 Cb 0.00 -0.11 -0.37 0.00 -1.12 0.00 0.00 38.32 36.72 1ifr h ASN 524 CO 0.00 1.38 -0.80 -0.94 -1.29 0.00 0.00 177.43 175.78 1ifr s SER 525 N -6.88 3.33 -0.16 5.81 1.04 -1.26 -3.75 113.70 111.84 1ifr s SER 525 Ca -0.08 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1ifr s SER 525 Cb 0.07 -1.13 0.03 0.00 0.10 0.00 0.00 66.02 65.09 1ifr s SER 525 CO 0.84 -0.17 -0.13 -0.76 0.98 0.00 0.00 173.24 174.00 1ifr s LEU 526 N 1.46 1.76 -0.18 2.42 1.43 -0.38 -0.36 118.68 124.83 1ifr s LEU 526 Ca -0.02 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 1ifr s LEU 526 Cb -0.16 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 1ifr s LEU 526 CO -0.08 -0.08 -0.07 -0.60 0.23 0.00 0.00 176.35 175.75 1ifr s ARG 527 N 1.49 3.43 -0.18 1.70 3.52 -0.19 -0.93 118.95 127.78 1ifr s ARG 527 Ca 0.04 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 1ifr s ARG 527 Cb -0.13 -2.86 0.02 0.00 -1.56 0.00 0.00 34.95 30.42 1ifr s ARG 527 CO -0.10 0.02 -0.18 0.99 -0.81 0.00 0.00 175.30 175.21 1ifr s THR 528 N 0.90 1.98 -0.05 4.11 2.01 -0.40 -0.43 115.64 123.76 1ifr s THR 528 Ca -0.01 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.11 1ifr s THR 528 Cb -0.15 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1ifr s THR 528 CO 0.01 0.48 -0.23 0.00 -0.69 0.00 0.00 174.62 174.18 1ifr s ALA 529 N 1.31 2.24 -0.23 7.40 0.00 0.19 -1.33 121.76 131.34 1ifr s ALA 529 Ca 0.04 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1ifr s ALA 529 Cb -0.14 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1ifr s ALA 529 CO -0.12 0.44 0.34 -1.17 0.00 0.00 0.00 175.76 175.25 1ifr s LEU 530 N -0.27 4.10 -0.07 0.00 2.96 0.41 -0.70 118.68 125.11 1ifr s LEU 530 Ca -0.00 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.29 1ifr s LEU 530 Cb -0.13 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 1ifr s LEU 530 CO 0.03 -0.08 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.15 1ifr s ILE 531 N 1.52 2.60 0.74 6.68 -1.09 0.31 -0.66 121.20 131.30 1ifr s ILE 531 Ca 0.15 -0.87 -0.13 0.00 -2.23 0.00 0.00 60.65 57.58 1ifr s ILE 531 Cb -0.15 -2.00 0.17 0.00 -1.58 0.00 0.00 42.46 38.90 1ifr s ILE 531 CO 0.08 0.57 1.00 -0.46 -1.23 0.00 0.00 174.94 174.90 1ifr n ASN 532 N 2.83 0.07 0.01 3.58 0.23 -0.26 -1.11 115.26 120.60 1ifr n ASN 532 Ca -0.17 -1.36 0.04 0.00 -0.53 0.00 0.00 54.58 52.56 1ifr n ASN 532 Cb 0.52 -0.77 0.20 0.00 -2.08 0.00 0.00 39.78 37.65 1ifr n ASN 532 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1ifr n SER 533 N -3.65 0.03 -0.67 0.53 3.41 -1.26 -2.22 113.62 109.78 1ifr n SER 533 Ca 0.13 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 1ifr n SER 533 Cb 0.44 -0.52 0.20 0.00 -0.26 0.00 0.00 64.21 64.07 1ifr n SER 533 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ifr n THR 534 N -1.54 1.77 -0.81 6.66 5.66 -1.26 -4.98 114.28 119.79 1ifr n THR 534 Ca 0.02 -1.59 0.00 0.00 -3.05 0.00 0.00 64.05 59.43 1ifr n THR 534 Cb 0.10 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 1ifr n THR 534 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ifr n GLY 535 N -0.29 0.57 3.78 1.09 0.00 -0.94 -5.05 105.19 104.35 1ifr n GLY 535 Ca 0.16 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1ifr n GLY 535 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ifr s GLU 536 N -0.52 4.05 -0.21 1.61 2.02 -1.26 -4.85 118.70 119.53 1ifr s GLU 536 Ca 0.00 0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.90 1ifr s GLU 536 Cb 0.00 -3.33 -0.00 0.00 0.10 0.00 0.00 34.13 30.89 1ifr s GLU 536 CO 0.00 0.44 1.19 -2.00 0.02 0.00 0.00 175.26 174.91 1ifr s GLU 537 N -0.19 4.19 -0.01 1.61 2.12 -1.26 -1.11 118.70 124.06 1ifr s GLU 537 Ca 0.19 1.48 0.16 0.00 0.36 0.00 0.00 54.97 57.16 1ifr s GLU 537 Cb -0.14 -3.74 -0.19 0.00 0.26 0.00 0.00 34.13 30.32 1ifr s GLU 537 CO 0.07 -0.75 0.58 1.33 -0.54 0.00 0.00 175.26 175.96 1ifr n VAL 538 N 5.50 0.00 -3.49 3.70 0.24 0.16 -4.98 118.33 119.46 1ifr n VAL 538 Ca 0.13 -0.19 -0.09 0.00 -2.04 0.00 0.00 64.34 62.15 1ifr n VAL 538 Cb 0.46 0.78 -0.02 0.00 -1.47 0.00 0.00 33.84 33.58 1ifr n VAL 538 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ifr s ALA 539 N -2.64 -1.78 0.17 2.33 0.00 -1.17 -0.83 121.76 117.84 1ifr s ALA 539 Ca 0.03 0.93 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 1ifr s ALA 539 Cb 0.11 0.46 0.06 0.00 0.00 0.00 0.00 23.12 23.76 1ifr s ALA 539 CO 0.65 -0.68 0.69 0.00 0.00 0.00 0.00 175.76 176.42 1ifr s MET 540 N -3.14 1.36 -0.14 0.00 0.00 -0.23 -0.45 119.30 116.71 1ifr s MET 540 Ca 0.04 -0.60 -0.08 0.00 0.00 0.00 0.00 55.69 55.05 1ifr s MET 540 Cb -0.01 0.56 0.05 0.00 0.00 0.00 0.00 34.83 35.43 1ifr s MET 540 CO -0.09 -0.61 0.33 0.50 0.00 0.00 0.00 175.02 175.15 1ifr s ARG 541 N -3.69 0.31 -0.04 3.16 3.52 -0.44 -1.87 118.95 119.89 1ifr s ARG 541 Ca 0.05 0.64 0.03 0.00 -0.13 0.00 0.00 55.73 56.31 1ifr s ARG 541 Cb -0.02 -0.05 0.01 0.00 -1.56 0.00 0.00 34.95 33.32 1ifr s ARG 541 CO -0.06 -0.15 -0.11 0.21 -0.81 0.00 0.00 175.30 174.38 1ifr s LYS 542 N 1.21 1.32 -0.10 5.12 2.20 0.52 -1.27 119.74 128.74 1ifr s LYS 542 Ca -0.08 -0.38 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 1ifr s LYS 542 Cb -0.09 -1.17 -0.03 0.00 -1.51 0.00 0.00 37.83 35.03 1ifr s LYS 542 CO -0.10 0.10 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.45 1ifr s LEU 543 N 0.35 3.34 0.00 5.43 1.43 -0.10 -0.48 118.68 128.64 1ifr s LEU 543 Ca -0.07 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1ifr s LEU 543 Cb -0.12 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1ifr s LEU 543 CO 0.02 0.31 0.00 0.52 0.23 0.00 0.00 176.35 177.42