#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pms n LYS 432 N 0.00 2.33 -0.23 -1.46 5.02 -1.26 -4.51 118.16 118.05 1pms n LYS 432 Ca 0.00 -2.25 0.03 0.00 -2.02 0.00 0.00 58.31 54.07 1pms n LYS 432 Cb 0.00 -2.08 0.12 0.00 -0.02 0.00 0.00 35.03 33.04 1pms n LYS 432 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pms n GLN 433 N 0.82 1.99 0.09 1.97 6.02 -1.26 -4.13 117.38 122.89 1pms n GLN 433 Ca 0.47 -0.91 0.20 0.00 -0.01 0.00 0.00 57.00 56.75 1pms n GLN 433 Cb 0.56 -1.57 0.75 0.00 1.02 0.00 0.00 30.24 31.00 1pms n GLN 433 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1pms h LEU 434 N 1.24 0.00 0.07 1.08 3.38 -2.00 0.62 115.31 119.70 1pms h LEU 434 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1pms h LEU 434 Cb 0.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1pms h LEU 434 CO 0.11 0.00 -1.39 0.00 0.09 0.00 0.00 178.44 177.24 1pms h ALA 435 N 1.56 0.36 0.00 1.53 0.00 -1.98 -3.20 119.26 117.52 1pms h ALA 435 Ca 0.20 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1pms h ALA 435 Cb 1.02 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1pms h ALA 435 CO -0.00 1.23 0.00 -0.89 0.00 0.00 0.00 179.25 179.58 1pms n ILE 436 N -3.37 0.18 0.08 0.00 2.08 0.18 -2.85 119.36 115.67 1pms n ILE 436 Ca -0.11 0.05 0.02 0.00 0.56 0.00 0.00 62.75 63.26 1pms n ILE 436 Cb 1.02 -0.59 -0.03 0.00 -0.75 0.00 0.00 39.64 39.28 1pms n ILE 436 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1pms h LYS 437 N 0.00 0.00 -0.42 0.38 6.56 -0.52 -3.32 116.57 119.24 1pms h LYS 437 Ca 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 1pms h LYS 437 Cb 0.45 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.10 1pms h LYS 437 CO 0.00 0.37 0.09 0.87 -2.06 0.00 0.00 179.45 178.71 1pms h LYS 438 N 0.00 0.69 -1.00 3.15 1.57 -1.56 -2.68 116.57 116.74 1pms h LYS 438 Ca -0.09 -0.18 0.37 0.00 -1.87 0.00 0.00 60.65 58.88 1pms h LYS 438 Cb 1.47 -0.09 -0.17 0.00 0.08 0.00 0.00 32.23 33.53 1pms h LYS 438 CO 0.05 0.71 0.53 1.98 -0.57 0.00 0.00 179.45 182.15 1pms h MET 439 N 0.55 0.14 0.64 3.15 4.05 -1.68 0.24 114.93 122.03 1pms h MET 439 Ca 0.13 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1pms h MET 439 Cb 0.35 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1pms h MET 439 CO 0.00 0.09 -0.49 -0.97 0.23 0.00 0.00 176.91 175.78 1pms h ASN 440 N 0.14 -1.29 0.33 1.39 -0.73 -1.67 0.26 115.58 114.01 1pms h ASN 440 Ca 0.78 0.09 0.00 0.00 1.87 0.00 0.00 56.30 59.04 1pms h ASN 440 Cb 1.94 0.40 0.00 0.00 0.27 0.00 0.00 38.32 40.93 1pms h ASN 440 CO -0.70 -0.70 0.00 -0.62 -0.37 0.00 0.00 177.43 175.03 1pms n GLU 441 N -5.59 0.01 0.08 6.67 4.71 0.46 -2.03 120.64 124.94 1pms n GLU 441 Ca -0.13 0.32 -0.15 0.00 -0.01 0.00 0.00 57.16 57.18 1pms n GLU 441 Cb 0.48 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.27 1pms n GLU 441 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1pms h ILE 442 N 0.00 1.33 -0.00 -3.67 2.04 0.13 -0.15 117.51 117.18 1pms h ILE 442 Ca 0.00 -2.95 0.00 0.00 1.00 0.00 0.00 64.86 62.91 1pms h ILE 442 Cb 0.17 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1pms h ILE 442 CO 0.00 0.85 -0.15 1.67 0.00 0.00 0.00 178.15 180.52 1pms n GLN 443 N -3.46 0.01 -0.01 2.37 0.00 -0.32 -2.75 117.38 113.22 1pms n GLN 443 Ca -0.12 -0.00 0.04 0.00 -0.00 0.00 0.00 57.00 56.92 1pms n GLN 443 Cb 1.03 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.67 1pms n GLN 443 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1pms n LYS 444 N -1.50 0.68 0.00 3.69 3.00 -1.13 -3.75 118.16 119.15 1pms n LYS 444 Ca 0.07 -0.09 0.13 0.00 -0.00 0.00 0.00 58.31 58.41 1pms n LYS 444 Cb 0.34 -1.29 0.32 0.00 0.00 0.00 0.00 35.03 34.40 1pms n LYS 444 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1pms n ASN 445 N -2.01 1.81 -0.07 3.14 5.15 -0.07 -4.11 115.26 119.10 1pms n ASN 445 Ca -0.05 -1.47 -0.08 0.00 -0.60 0.00 0.00 54.58 52.37 1pms n ASN 445 Cb 0.41 0.10 -0.08 0.00 -0.53 0.00 0.00 39.78 39.68 1pms n ASN 445 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pms n ILE 446 N 0.23 0.80 0.00 -1.44 0.13 -1.11 -4.80 119.36 113.17 1pms n ILE 446 Ca 0.15 -0.38 0.00 0.00 -1.10 0.00 0.00 62.75 61.42 1pms n ILE 446 Cb 0.43 -0.88 0.00 0.00 -0.84 0.00 0.00 39.64 38.34 1pms n ILE 446 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1pms n ASP 447 N -2.72 0.00 0.00 9.51 -0.08 -1.25 -4.08 116.55 117.94 1pms n ASP 447 Ca -0.23 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 1pms n ASP 447 Cb 0.81 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.27 1pms n ASP 447 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pms n GLY 448 N 0.00 0.67 3.25 0.27 0.00 -1.26 -5.03 105.19 103.08 1pms n GLY 448 Ca 0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 1pms n GLY 448 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1pms n TRP 449 N 0.00 -0.95 -3.63 1.61 4.27 -1.26 -4.86 117.44 112.63 1pms n TRP 449 Ca 0.00 -2.71 -0.27 0.00 -3.89 0.00 0.00 57.50 50.63 1pms n TRP 449 Cb 0.00 0.35 -0.11 0.00 -1.36 0.00 0.00 31.31 30.19 1pms n TRP 449 CO 0.00 0.00 0.00 -0.85 -2.29 0.00 0.00 177.69 174.55 1pms n GLU 450 N -0.62 1.14 0.06 -2.67 0.00 -1.26 -4.59 120.64 112.70 1pms n GLU 450 Ca 0.06 -3.90 0.00 0.00 0.00 0.00 0.00 57.16 53.33 1pms n GLU 450 Cb 0.60 -1.98 0.00 0.00 0.00 0.00 0.00 31.44 30.06 1pms n GLU 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pms n GLY 451 N 2.23 -0.19 0.00 -1.84 0.00 -1.26 -4.77 105.19 99.36 1pms n GLY 451 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1pms n GLY 451 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pms n LYS 452 N -2.98 0.00 0.00 1.61 5.02 -1.26 -4.47 118.16 116.07 1pms n LYS 452 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pms n LYS 452 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1pms n LYS 452 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pms n ASP 453 N 0.00 0.00 -3.18 4.39 2.03 -1.26 -4.72 116.55 113.81 1pms n ASP 453 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1pms n ASP 453 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1pms n ASP 453 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1pms n ILE 454 N 0.00 0.14 0.04 5.18 -5.35 -1.26 -4.15 119.36 113.96 1pms n ILE 454 Ca 0.00 -4.56 -0.03 0.00 -0.27 0.00 0.00 62.75 57.90 1pms n ILE 454 Cb 0.00 -0.97 -0.01 0.00 -1.74 0.00 0.00 39.64 36.92 1pms n ILE 454 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1pms h GLY 455 N 3.35 -0.20 0.00 3.28 0.00 -1.97 -3.43 103.07 104.11 1pms h GLY 455 Ca 0.10 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1pms h GLY 455 CO 0.54 -0.07 -1.06 -0.18 0.00 0.00 0.00 176.54 175.77 1pms n GLN 456 N -4.53 2.39 0.00 4.80 -0.06 -1.26 -5.01 117.38 113.72 1pms n GLN 456 Ca -0.02 -0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 1pms n GLN 456 Cb 0.08 -1.02 0.00 0.00 -4.06 0.00 0.00 30.24 25.23 1pms n GLN 456 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pms s ASN 459 N 0.00 -0.91 -0.01 0.00 3.84 -1.26 -4.70 114.94 111.91 1pms s ASN 459 Ca 0.00 -0.92 0.02 0.00 0.21 0.00 0.00 52.86 52.17 1pms s ASN 459 Cb 0.00 1.18 0.03 0.00 -0.55 0.00 0.00 41.25 41.90 1pms s ASN 459 CO 0.00 -0.05 0.79 -1.84 -2.79 0.00 0.00 177.10 173.21 1pms n GLU 460 N 3.11 0.47 0.29 0.43 0.28 -1.26 -4.32 120.64 119.63 1pms n GLU 460 Ca 0.13 -0.98 0.12 0.00 -0.16 0.00 0.00 57.16 56.28 1pms n GLU 460 Cb 0.60 -0.65 0.66 0.00 1.43 0.00 0.00 31.44 33.49 1pms n GLU 460 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1pms h PHE 461 N 0.00 0.00 -0.82 -1.84 -5.15 -1.86 -3.00 116.94 104.27 1pms h PHE 461 Ca 0.00 0.00 0.13 0.00 -0.20 0.00 0.00 57.97 57.90 1pms h PHE 461 Cb 1.08 0.00 -0.14 0.00 0.22 0.00 0.00 35.95 37.11 1pms h PHE 461 CO 0.03 0.00 -0.31 0.44 -2.00 0.00 0.00 178.31 176.48 1pms n ILE 462 N -2.64 -0.42 -3.80 0.88 -6.64 -1.26 -3.81 119.36 101.67 1pms n ILE 462 Ca -0.02 1.92 -0.29 0.00 -1.77 0.00 0.00 62.75 62.59 1pms n ILE 462 Cb 0.38 -2.55 -0.16 0.00 -1.44 0.00 0.00 39.64 35.87 1pms n ILE 462 CO 0.00 0.00 0.00 -0.04 -1.77 0.00 0.00 176.55 174.74 1pms s MET 463 N -5.81 0.95 -0.30 6.28 -1.94 -1.10 -4.54 119.30 112.85 1pms s MET 463 Ca -0.11 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 52.98 1pms s MET 463 Cb 0.17 -2.23 0.14 0.00 2.01 0.00 0.00 34.83 34.93 1pms s MET 463 CO 0.59 -0.78 0.33 -1.21 -0.01 0.00 0.00 175.02 173.94 1pms s GLU 464 N 1.60 0.37 0.00 2.03 0.41 -1.25 -0.91 118.70 120.96 1pms s GLU 464 Ca 0.03 -0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.45 1pms s GLU 464 Cb -0.18 -0.57 0.00 0.00 -1.78 0.00 0.00 34.13 31.60 1pms s GLU 464 CO -0.14 -1.05 0.00 0.41 -0.49 0.00 0.00 175.26 173.99 1pms n GLY 465 N 5.23 -0.85 2.87 -1.39 0.00 -1.18 -4.55 105.19 105.32 1pms n GLY 465 Ca -0.00 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.36 1pms n GLY 465 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pms s THR 466 N 0.00 0.11 -0.01 2.61 -4.23 -1.26 -2.74 115.64 110.13 1pms s THR 466 Ca 0.00 -0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.32 1pms s THR 466 Cb 0.00 -0.13 0.03 0.00 1.34 0.00 0.00 72.50 73.74 1pms s THR 466 CO 0.00 0.06 0.37 -0.22 -0.54 0.00 0.00 174.62 174.29 1pms s LEU 467 N 0.23 0.61 0.00 4.79 1.98 -1.18 -4.59 118.68 120.52 1pms s LEU 467 Ca -0.02 0.15 0.00 0.00 -2.89 0.00 0.00 54.13 51.37 1pms s LEU 467 Cb -0.04 1.49 0.00 0.00 0.66 0.00 0.00 46.19 48.30 1pms s LEU 467 CO -0.01 -0.50 0.00 1.07 -1.89 0.00 0.00 176.35 175.02 1pms n THR 468 N 1.11 0.00 -2.12 3.68 5.66 -0.25 -2.58 114.28 119.78 1pms n THR 468 Ca -0.21 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.55 1pms n THR 468 Cb 0.57 -0.91 0.02 0.00 -1.55 0.00 0.00 70.33 68.46 1pms n THR 468 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1pms n ARG 469 N -0.65 3.56 -0.76 1.09 0.63 -1.26 -2.64 116.66 116.63 1pms n ARG 469 Ca 0.00 -4.23 0.08 0.00 -0.92 0.00 0.00 57.85 52.79 1pms n ARG 469 Cb 0.00 -2.26 -0.03 0.00 0.45 0.00 0.00 32.46 30.62 1pms n ARG 469 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1pms n VAL 470 N -0.66 0.00 -2.94 5.15 3.14 -1.18 -4.55 118.33 117.29 1pms n VAL 470 Ca 0.43 0.10 -0.10 0.00 -2.96 0.00 0.00 64.34 61.81 1pms n VAL 470 Cb 0.91 -0.31 -0.02 0.00 -1.06 0.00 0.00 33.84 33.36 1pms n VAL 470 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pms n GLY 471 N -2.54 -0.47 3.45 7.55 0.00 -1.26 -4.83 105.19 107.09 1pms n GLY 471 Ca -0.01 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1pms n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pms s ALA 472 N -2.26 -1.53 -0.07 4.61 0.00 -1.26 -5.04 121.76 116.21 1pms s ALA 472 Ca 0.20 0.94 0.16 0.00 0.00 0.00 0.00 51.96 53.26 1pms s ALA 472 Cb -0.11 0.19 -0.24 0.00 0.00 0.00 0.00 23.12 22.95 1pms s ALA 472 CO 0.24 -0.43 0.26 1.17 0.00 0.00 0.00 175.76 177.01 1pms n LYS 473 N 0.71 0.82 -3.24 0.00 4.81 -1.26 -4.84 118.16 115.17 1pms n LYS 473 Ca -0.19 -0.11 -0.43 0.00 -0.87 0.00 0.00 58.31 56.71 1pms n LYS 473 Cb 0.58 -1.40 -0.07 0.00 0.02 0.00 0.00 35.03 34.16 1pms n LYS 473 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1pms s HIS 474 N -2.91 3.12 0.77 5.64 2.46 -1.26 -5.05 115.29 118.06 1pms s HIS 474 Ca -0.07 -0.49 -0.04 0.00 0.47 0.00 0.00 55.06 54.94 1pms s HIS 474 Cb 0.09 -3.25 0.14 0.00 -0.13 0.00 0.00 32.58 29.43 1pms s HIS 474 CO 0.69 -0.87 1.07 -1.83 -2.47 0.00 0.00 174.74 171.32 1pms s GLU 475 N 2.35 1.45 0.16 2.88 -1.05 -1.26 -4.77 118.70 118.45 1pms s GLU 475 Ca 0.13 -0.97 0.02 0.00 -0.15 0.00 0.00 54.97 54.00 1pms s GLU 475 Cb -0.19 -2.23 -0.05 0.00 -0.44 0.00 0.00 34.13 31.23 1pms s GLU 475 CO 0.12 -1.66 -0.03 1.03 0.95 0.00 0.00 175.26 175.67 1pms s ARG 476 N -5.30 1.06 0.85 -4.83 1.81 -1.06 -4.95 118.95 106.52 1pms s ARG 476 Ca 0.68 -1.49 -0.14 0.00 -1.72 0.00 0.00 55.73 53.07 1pms s ARG 476 Cb -0.05 -0.34 0.03 0.00 -0.45 0.00 0.00 34.95 34.14 1pms s ARG 476 CO 0.46 -0.07 0.69 0.72 -0.68 0.00 0.00 175.30 176.42 1pms n HIS 477 N -0.20 -0.44 -3.73 -0.53 8.25 -0.44 -3.09 115.22 115.03 1pms n HIS 477 Ca -0.08 0.32 -0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1pms n HIS 477 Cb 0.62 -1.92 -0.07 0.00 1.12 0.00 0.00 29.99 29.75 1pms n HIS 477 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pms s ILE 478 N -2.21 0.08 -0.30 1.59 -1.09 -1.11 -0.21 121.20 117.95 1pms s ILE 478 Ca 0.64 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1pms s ILE 478 Cb -0.27 -0.94 0.15 0.00 -1.58 0.00 0.00 42.46 39.83 1pms s ILE 478 CO 0.60 -0.35 0.38 -0.36 -1.23 0.00 0.00 174.94 173.99 1pms s PHE 479 N -2.52 -0.81 -0.31 3.97 0.08 -0.79 -3.09 117.98 114.52 1pms s PHE 479 Ca -0.05 0.05 -0.06 0.00 0.12 0.00 0.00 56.93 56.99 1pms s PHE 479 Cb -0.01 -0.25 0.02 0.00 -0.57 0.00 0.00 43.02 42.21 1pms s PHE 479 CO -0.03 -0.98 0.08 -1.17 -0.10 0.00 0.00 175.22 173.02 1pms s LEU 480 N 2.34 3.97 -0.09 -0.37 0.20 -0.09 -0.22 118.68 124.42 1pms s LEU 480 Ca 0.11 -0.90 -0.18 0.00 0.69 0.00 0.00 54.13 53.85 1pms s LEU 480 Cb -0.13 -1.85 -0.05 0.00 -0.43 0.00 0.00 46.19 43.73 1pms s LEU 480 CO -0.27 -0.24 0.48 -0.36 -0.29 0.00 0.00 176.35 175.68 1pms s PHE 481 N 1.44 3.56 0.39 5.38 0.08 0.21 -2.70 117.98 126.35 1pms s PHE 481 Ca 0.01 0.94 0.34 0.00 0.12 0.00 0.00 56.93 58.34 1pms s PHE 481 Cb -0.18 -2.53 1.26 0.00 -0.57 0.00 0.00 43.02 41.00 1pms s PHE 481 CO 0.02 0.25 1.18 -0.40 -0.10 0.00 0.00 175.22 176.17 1pms n ASP 482 N 3.31 0.05 -0.03 1.36 5.75 -1.26 0.13 116.55 125.85 1pms n ASP 482 Ca -0.08 0.84 -0.18 0.00 -0.01 0.00 0.00 54.79 55.36 1pms n ASP 482 Cb 0.52 -0.42 -0.14 0.00 -1.03 0.00 0.00 41.12 40.05 1pms n ASP 482 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pms n GLY 483 N -1.61 -0.61 3.52 6.12 0.00 -1.26 -4.78 105.19 106.58 1pms n GLY 483 Ca 0.33 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1pms n GLY 483 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pms s LEU 484 N -6.68 2.75 -0.34 0.99 2.96 0.34 -2.90 118.68 115.81 1pms s LEU 484 Ca -0.21 -0.97 0.03 0.00 -0.22 0.00 0.00 54.13 52.76 1pms s LEU 484 Cb 0.07 -1.23 0.10 0.00 0.50 0.00 0.00 46.19 45.63 1pms s LEU 484 CO 0.75 -0.01 0.06 -0.32 -1.32 0.00 0.00 176.35 175.51 1pms s MET 485 N -3.57 1.35 0.27 1.98 -2.45 -0.76 0.68 119.30 116.81 1pms s MET 485 Ca 0.31 -1.75 0.08 0.00 -1.25 0.00 0.00 55.69 53.08 1pms s MET 485 Cb -0.04 -3.00 -0.04 0.00 1.25 0.00 0.00 34.83 33.00 1pms s MET 485 CO 0.16 -0.95 0.13 0.42 1.05 0.00 0.00 175.02 175.84 1pms s ILE 486 N 1.00 3.95 0.10 10.11 1.01 0.69 -0.83 121.20 137.23 1pms s ILE 486 Ca 0.11 -1.59 -0.08 0.00 0.00 0.00 0.00 60.65 59.09 1pms s ILE 486 Cb -0.19 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.10 1pms s ILE 486 CO -0.11 -0.33 0.20 0.00 0.00 0.00 0.00 174.94 174.70 1pms n LYS 489 N 3.15 2.88 -3.63 0.00 2.85 -1.02 -1.33 118.16 121.06 1pms n LYS 489 Ca 0.24 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.34 1pms n LYS 489 Cb 0.44 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.74 1pms n LYS 489 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1pms s SER 490 N 0.05 -0.48 -0.12 -5.58 1.04 -1.26 -4.38 113.70 102.96 1pms s SER 490 Ca 0.00 0.56 -0.03 0.00 0.48 0.00 0.00 55.95 56.96 1pms s SER 490 Cb 0.00 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.73 1pms s SER 490 CO 0.00 -0.48 0.06 0.20 0.98 0.00 0.00 173.24 174.00 1pms s ASN 491 N -0.99 2.00 0.00 7.02 0.01 -1.26 -4.97 114.94 116.75 1pms s ASN 491 Ca -0.10 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 1pms s ASN 491 Cb -0.02 -0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.34 1pms s ASN 491 CO 0.06 -0.29 0.18 1.57 -1.51 0.00 0.00 177.10 177.11 1pms n HIS 492 N 5.23 0.00 0.00 2.20 -0.00 -1.26 -3.85 115.22 117.54 1pms n HIS 492 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1pms n HIS 492 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 1pms n HIS 492 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1pms n GLY 493 N 0.39 0.54 3.70 1.57 0.00 -1.26 -4.82 105.19 105.31 1pms n GLY 493 Ca 0.00 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1pms n GLY 493 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pms s GLN 494 N 0.00 1.82 0.14 1.61 -1.52 -1.26 -4.83 119.66 115.62 1pms s GLN 494 Ca 0.00 1.84 0.05 0.00 -1.95 0.00 0.00 55.36 55.31 1pms s GLN 494 Cb 0.00 -1.79 -0.10 0.00 -0.22 0.00 0.00 33.01 30.90 1pms s GLN 494 CO 0.00 -2.09 1.33 -1.00 -0.25 0.00 0.00 175.29 173.27 1pms h PRO 495 N -0.57 0.07 0.00 2.91 0.13 -2.00 -3.19 132.00 129.35 1pms h PRO 495 Ca -0.47 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1pms h PRO 495 Cb 1.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1pms h PRO 495 CO 0.48 0.97 0.31 0.00 -0.23 0.00 0.00 178.00 179.52 1pms h ARG 496 N 0.03 0.00 -3.44 0.86 -0.00 -2.05 -3.30 114.38 106.49 1pms h ARG 496 Ca -0.03 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.88 1pms h ARG 496 Cb 1.65 0.00 -0.40 0.00 0.00 0.00 0.00 29.97 31.22 1pms h ARG 496 CO 0.13 0.00 -0.76 -0.48 0.00 0.00 0.00 179.97 178.86 1pms s LEU 497 N -5.52 1.86 0.38 3.04 2.34 -1.21 -5.12 118.68 114.46 1pms s LEU 497 Ca -0.03 -1.50 -0.24 0.00 0.06 0.00 0.00 54.13 52.42 1pms s LEU 497 Cb 0.08 -0.76 -0.10 0.00 -0.56 0.00 0.00 46.19 44.86 1pms s LEU 497 CO 0.25 -0.41 1.00 -2.16 -1.06 0.00 0.00 176.35 173.97 1pms s PRO 498 N 1.72 4.32 0.00 1.48 0.04 -1.24 -3.54 135.00 137.77 1pms s PRO 498 Ca 0.08 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1pms s PRO 498 Cb -0.17 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1pms s PRO 498 CO -0.25 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1pms n GLY 499 N 0.24 3.27 1.74 0.56 0.00 -1.26 -4.84 105.19 104.90 1pms n GLY 499 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pms n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pms n ALA 500 N -1.20 3.96 -1.05 4.61 0.00 -1.23 -4.46 120.51 121.14 1pms n ALA 500 Ca 0.00 -1.76 -0.22 0.00 0.00 0.00 0.00 53.44 51.46 1pms n ALA 500 Cb 0.00 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.33 1pms n ALA 500 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pms n SER 501 N 0.23 6.81 -4.57 0.00 2.88 -1.26 -4.39 113.62 113.32 1pms n SER 501 Ca 0.29 -3.27 -0.25 0.00 -1.33 0.00 0.00 58.87 54.30 1pms n SER 501 Cb 1.13 -1.05 0.12 0.00 -0.75 0.00 0.00 64.21 63.67 1pms n SER 501 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pms s SER 502 N -0.35 4.12 -1.07 -3.46 1.04 -1.26 -4.93 113.70 107.78 1pms s SER 502 Ca 0.41 -0.11 -0.23 0.00 0.48 0.00 0.00 55.95 56.51 1pms s SER 502 Cb 0.32 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.15 1pms s SER 502 CO -0.02 -2.03 1.89 0.00 0.98 0.00 0.00 173.24 174.06 1pms s ALA 503 N -3.33 1.91 0.03 5.32 0.00 -1.26 -4.84 121.76 119.60 1pms s ALA 503 Ca 0.67 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1pms s ALA 503 Cb -0.06 -4.62 -0.02 0.00 0.00 0.00 0.00 23.12 18.42 1pms s ALA 503 CO 0.46 -4.83 -0.04 -2.00 0.00 0.00 0.00 175.76 169.36 1pms s GLU 504 N 6.42 0.40 0.18 0.00 2.12 -1.26 -5.16 118.70 121.40 1pms s GLU 504 Ca 0.67 -0.75 -0.23 0.00 0.36 0.00 0.00 54.97 55.01 1pms s GLU 504 Cb -0.03 0.07 0.07 0.00 0.26 0.00 0.00 34.13 34.50 1pms s GLU 504 CO 0.06 -0.05 0.99 1.52 -0.54 0.00 0.00 175.26 177.25 1pms s TYR 505 N -1.93 -0.01 -0.91 5.30 1.13 -1.25 -4.42 117.35 115.25 1pms s TYR 505 Ca -0.11 -0.36 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 1pms s TYR 505 Cb -0.06 0.68 0.00 0.00 -1.10 0.00 0.00 41.96 41.48 1pms s TYR 505 CO -0.02 -0.91 0.00 -2.13 -2.51 0.00 0.00 175.55 169.97 1pms n ARG 506 N -0.59 0.00 0.00 -3.49 0.63 -1.26 -4.95 116.66 107.00 1pms n ARG 506 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1pms n ARG 506 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 1pms n ARG 506 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1pms n LEU 507 N 0.00 0.00 -4.13 6.15 4.32 -1.26 -4.76 117.00 117.32 1pms n LEU 507 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 1pms n LEU 507 Cb 0.00 0.09 -0.13 0.00 -1.62 0.00 0.00 43.42 41.76 1pms n LEU 507 CO 0.00 -0.27 -0.46 -0.54 -1.22 0.00 0.00 177.39 174.90 1pms s LYS 508 N -0.54 0.87 0.35 3.23 1.02 -1.26 -2.43 119.74 120.98 1pms s LYS 508 Ca 0.00 -0.75 0.09 0.00 0.02 0.00 0.00 55.97 55.33 1pms s LYS 508 Cb 0.00 -0.86 -0.05 0.00 -0.52 0.00 0.00 37.83 36.40 1pms s LYS 508 CO 0.00 0.21 0.05 -1.83 -0.92 0.00 0.00 175.35 172.86 1pms s GLU 509 N -1.17 2.14 0.03 1.68 -1.05 -1.01 -4.96 118.70 114.36 1pms s GLU 509 Ca 0.00 -1.73 -0.12 0.00 -0.15 0.00 0.00 54.97 52.98 1pms s GLU 509 Cb -0.08 -1.97 0.01 0.00 -0.44 0.00 0.00 34.13 31.65 1pms s GLU 509 CO 0.01 0.11 0.25 -1.59 0.95 0.00 0.00 175.26 174.99 1pms s LYS 510 N -3.75 0.72 0.00 -4.83 0.00 -1.26 -1.54 119.74 109.08 1pms s LYS 510 Ca 0.36 -0.52 0.00 0.00 0.00 0.00 0.00 55.97 55.81 1pms s LYS 510 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 37.83 38.14 1pms s LYS 510 CO 0.20 -0.21 0.00 1.19 0.00 0.00 0.00 175.35 176.53 1pms n PHE 511 N 0.76 -0.49 -4.02 1.78 3.01 -0.01 -4.98 117.46 113.51 1pms n PHE 511 Ca -0.19 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 57.92 1pms n PHE 511 Cb 0.58 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.95 1pms n PHE 511 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1pms s PHE 512 N -5.44 3.22 -1.03 1.38 0.40 -1.26 -1.82 117.98 113.43 1pms s PHE 512 Ca 0.00 0.02 -0.05 0.00 -0.60 0.00 0.00 56.93 56.30 1pms s PHE 512 Cb 0.00 -2.08 0.28 0.00 0.51 0.00 0.00 43.02 41.73 1pms s PHE 512 CO 0.00 0.11 1.21 -0.12 0.70 0.00 0.00 175.22 177.12 1pms n MET 513 N 3.63 3.78 0.00 0.44 1.56 -1.14 -4.52 117.12 120.86 1pms n MET 513 Ca -0.17 -4.53 0.00 0.00 -0.27 0.00 0.00 57.70 52.74 1pms n MET 513 Cb 0.52 -2.49 0.00 0.00 2.15 0.00 0.00 33.22 33.40 1pms n MET 513 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1pms n ARG 514 N 1.85 0.00 -1.22 2.12 3.00 -1.26 -4.68 116.66 116.47 1pms n ARG 514 Ca 0.25 0.00 -0.24 0.00 -0.01 0.00 0.00 57.85 57.86 1pms n ARG 514 Cb 0.36 -0.40 0.15 0.00 0.00 0.00 0.00 32.46 32.58 1pms n ARG 514 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1pms n LYS 515 N -0.96 2.33 -4.33 5.56 -0.00 -1.26 -4.86 118.16 114.64 1pms n LYS 515 Ca 0.00 -3.14 -0.23 0.00 -0.00 0.00 0.00 58.31 54.94 1pms n LYS 515 Cb 0.00 -2.15 -0.08 0.00 -0.00 0.00 0.00 35.03 32.80 1pms n LYS 515 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1pms s VAL 516 N -3.68 3.18 -0.09 0.58 -7.23 -1.26 -3.54 120.40 108.36 1pms s VAL 516 Ca 0.57 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.61 1pms s VAL 516 Cb 0.47 -2.74 0.03 0.00 0.56 0.00 0.00 36.38 34.70 1pms s VAL 516 CO 0.06 -0.36 0.31 -1.10 -0.31 0.00 0.00 175.10 173.70 1pms s GLN 517 N -3.65 0.46 0.05 4.82 1.11 -1.25 -4.84 119.66 116.36 1pms s GLN 517 Ca 0.32 0.24 -0.21 0.00 0.01 0.00 0.00 55.36 55.72 1pms s GLN 517 Cb -0.06 0.21 -0.06 0.00 -1.01 0.00 0.00 33.01 32.10 1pms s GLN 517 CO 0.19 -0.08 0.60 -1.50 0.01 0.00 0.00 175.29 174.51 1pms s ILE 518 N -0.29 4.77 -0.49 1.08 2.07 -1.26 -2.69 121.20 124.39 1pms s ILE 518 Ca -0.04 1.29 0.03 0.00 -1.41 0.00 0.00 60.65 60.52 1pms s ILE 518 Cb -0.03 -3.94 0.13 0.00 0.13 0.00 0.00 42.46 38.75 1pms s ILE 518 CO 0.01 0.49 0.25 0.20 -1.91 0.00 0.00 174.94 173.99 1pms s ASN 519 N -0.73 4.03 0.71 4.50 -0.87 -0.96 -4.94 114.94 116.69 1pms s ASN 519 Ca 0.31 -2.85 -0.15 0.00 -1.57 0.00 0.00 52.86 48.60 1pms s ASN 519 Cb -0.19 -1.38 0.03 0.00 -0.02 0.00 0.00 41.25 39.68 1pms s ASN 519 CO 0.19 -0.25 1.18 1.51 -2.57 0.00 0.00 177.10 177.16 1pms s ASP 520 N -0.02 4.41 -0.00 -1.22 1.47 -1.26 -3.02 116.67 117.03 1pms s ASP 520 Ca 0.17 2.26 -0.05 0.00 1.18 0.00 0.00 52.55 56.11 1pms s ASP 520 Cb -0.25 -2.58 -0.00 0.00 -0.34 0.00 0.00 42.92 39.75 1pms s ASP 520 CO 0.00 -2.11 0.10 -0.75 0.68 0.00 0.00 175.17 173.09 1pms s LYS 521 N -3.97 0.37 -0.65 2.11 2.47 -1.26 -4.96 119.74 113.85 1pms s LYS 521 Ca 0.72 -0.31 -0.04 0.00 -1.56 0.00 0.00 55.97 54.77 1pms s LYS 521 Cb -0.27 0.15 0.05 0.00 -1.46 0.00 0.00 37.83 36.31 1pms s LYS 521 CO 0.44 -0.08 2.74 -0.25 0.16 0.00 0.00 175.35 178.37 1pms n ASP 522 N 1.84 6.80 -0.19 1.43 8.00 -1.26 -3.75 116.55 129.43 1pms n ASP 522 Ca -0.21 -3.13 0.29 0.00 0.71 0.00 0.00 54.79 52.45 1pms n ASP 522 Cb 0.56 -1.28 0.60 0.00 -0.02 0.00 0.00 41.12 40.98 1pms n ASP 522 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1pms h ASP 523 N 3.41 0.00 -3.52 -2.24 5.19 -1.96 -3.35 116.42 113.94 1pms h ASP 523 Ca 0.46 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 56.42 1pms h ASP 523 Cb 0.67 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 39.84 1pms h ASP 523 CO 0.99 0.00 -0.79 0.42 -3.12 0.00 0.00 179.24 176.74 1pms s THR 524 N -4.58 0.80 0.61 0.35 -4.23 -1.18 -4.98 115.64 102.42 1pms s THR 524 Ca -0.04 -0.30 0.27 0.00 -1.18 0.00 0.00 61.69 60.44 1pms s THR 524 Cb 0.17 -0.76 0.37 0.00 1.34 0.00 0.00 72.50 73.62 1pms s THR 524 CO 0.57 0.27 1.58 0.28 -0.54 0.00 0.00 174.62 176.78 1pms h SER 525 N 6.92 0.00 -0.00 3.99 0.02 -2.00 0.49 113.55 122.96 1pms h SER 525 Ca -0.35 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1pms h SER 525 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1pms h SER 525 CO 0.48 0.00 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.84 1pms h GLU 526 N 0.00 0.01 0.00 3.45 5.08 -1.94 -3.49 114.58 117.69 1pms h GLU 526 Ca 0.33 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1pms h GLU 526 Cb 2.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1pms h GLU 526 CO -0.00 0.42 0.00 0.66 -1.00 0.00 0.00 179.01 179.09 1pms n TYR 527 N -4.88 0.00 -3.19 4.33 4.01 0.17 -5.14 117.16 112.46 1pms n TYR 527 Ca -0.08 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.32 1pms n TYR 527 Cb 0.22 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.19 1pms n TYR 527 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1pms s LYS 528 N -1.37 4.02 -0.21 -0.72 0.00 -1.25 -3.11 119.74 117.11 1pms s LYS 528 Ca 0.00 0.64 0.12 0.00 0.00 0.00 0.00 55.97 56.73 1pms s LYS 528 Cb 0.00 -2.59 -0.21 0.00 0.00 0.00 0.00 37.83 35.03 1pms s LYS 528 CO 0.00 0.25 -0.04 1.58 0.00 0.00 0.00 175.35 177.15 1pms n HIS 529 N -0.02 0.00 -2.48 1.78 -0.00 -1.26 -5.02 115.22 108.21 1pms n HIS 529 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1pms n HIS 529 Cb 0.52 -0.96 0.00 0.00 -0.12 0.00 0.00 29.99 29.43 1pms n HIS 529 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1pms n ALA 530 N -2.91 0.00 -3.69 1.57 0.00 -1.26 -4.55 120.51 109.67 1pms n ALA 530 Ca -0.36 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 1pms n ALA 530 Cb 1.07 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.41 1pms n ALA 530 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pms s PHE 531 N 0.29 -0.56 -0.49 0.00 0.08 -1.13 -4.60 117.98 111.57 1pms s PHE 531 Ca 0.00 1.20 -0.14 0.00 0.12 0.00 0.00 56.93 58.12 1pms s PHE 531 Cb 0.00 0.23 0.10 0.00 -0.57 0.00 0.00 43.02 42.78 1pms s PHE 531 CO 0.00 -0.32 0.41 -1.21 -0.10 0.00 0.00 175.22 173.99 1pms s GLU 532 N 1.36 2.84 0.49 0.44 2.02 -1.17 -2.86 118.70 121.81 1pms s GLU 532 Ca -0.09 -1.58 -0.04 0.00 0.02 0.00 0.00 54.97 53.28 1pms s GLU 532 Cb -0.09 -4.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.01 1pms s GLU 532 CO -0.12 -1.16 0.77 0.42 0.02 0.00 0.00 175.26 175.19 1pms s ILE 533 N 1.54 4.60 0.07 -1.63 1.09 -0.25 -2.25 121.20 124.38 1pms s ILE 533 Ca 0.04 0.03 0.06 0.00 -1.10 0.00 0.00 60.65 59.68 1pms s ILE 533 Cb -0.27 -3.75 -0.03 0.00 -1.06 0.00 0.00 42.46 37.35 1pms s ILE 533 CO 0.03 -0.70 -0.17 -0.63 -0.10 0.00 0.00 174.94 173.37 1pms s ILE 534 N -2.73 1.37 0.37 2.92 1.09 -1.10 0.61 121.20 123.73 1pms s ILE 534 Ca 0.48 -1.32 -0.07 0.00 -1.10 0.00 0.00 60.65 58.64 1pms s ILE 534 Cb -0.10 -1.26 -0.05 0.00 -1.06 0.00 0.00 42.46 39.99 1pms s ILE 534 CO 0.43 -0.09 0.67 -0.76 -0.10 0.00 0.00 174.94 175.10 1pms s LEU 535 N -1.64 3.90 -0.13 2.97 1.43 -0.76 -3.77 118.68 120.69 1pms s LEU 535 Ca 0.02 0.90 0.10 0.00 -1.03 0.00 0.00 54.13 54.12 1pms s LEU 535 Cb -0.10 -3.76 0.51 0.00 0.03 0.00 0.00 46.19 42.87 1pms s LEU 535 CO 0.03 -0.34 1.31 0.29 0.23 0.00 0.00 176.35 177.87 1pms n LYS 536 N -1.31 3.29 -0.08 1.70 4.76 -1.23 -4.05 118.16 121.23 1pms n LYS 536 Ca 0.00 -1.97 -0.16 0.00 -2.87 0.00 0.00 58.31 53.31 1pms n LYS 536 Cb 0.54 -1.90 -0.06 0.00 -1.84 0.00 0.00 35.03 31.77 1pms n LYS 536 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pms n ASP 537 N 0.47 1.67 0.00 4.39 -0.08 -1.26 -5.01 116.55 116.73 1pms n ASP 537 Ca 0.17 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 1pms n ASP 537 Cb 0.79 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.82 1pms n ASP 537 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pms n GLY 538 N 2.17 0.00 0.00 0.27 0.00 -1.26 -5.17 105.19 101.21 1pms n GLY 538 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1pms n GLY 538 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pms n ASN 539 N 0.00 0.05 -3.71 1.61 3.02 -1.26 -5.02 115.26 109.94 1pms n ASN 539 Ca 0.00 -0.85 -0.15 0.00 -0.03 0.00 0.00 54.58 53.55 1pms n ASN 539 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1pms n ASN 539 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1pms s SER 540 N -0.70 0.32 -1.06 6.41 0.01 -1.26 -1.84 113.70 115.58 1pms s SER 540 Ca 0.00 0.29 -0.14 0.00 1.31 0.00 0.00 55.95 57.41 1pms s SER 540 Cb 0.00 0.19 0.19 0.00 0.21 0.00 0.00 66.02 66.61 1pms s SER 540 CO 0.00 -0.19 1.20 -0.69 0.41 0.00 0.00 173.24 173.96 1pms s VAL 541 N 1.68 5.24 -0.22 3.43 1.01 0.20 -4.88 120.40 126.87 1pms s VAL 541 Ca -0.03 -2.52 -0.07 0.00 0.00 0.00 0.00 61.98 59.36 1pms s VAL 541 Cb -0.12 -4.75 -0.03 0.00 0.00 0.00 0.00 36.38 31.48 1pms s VAL 541 CO -0.06 -1.42 0.05 -0.63 0.00 0.00 0.00 175.10 173.05 1pms s ILE 542 N 1.06 4.38 0.33 2.22 -1.09 -1.26 -1.09 121.20 125.75 1pms s ILE 542 Ca 0.34 -0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.64 1pms s ILE 542 Cb -0.06 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 1pms s ILE 542 CO -0.05 0.39 0.15 2.22 -1.23 0.00 0.00 174.94 176.42 1pms n PHE 543 N 4.36 -0.05 -3.66 3.97 -1.74 -1.14 -3.10 117.46 116.10 1pms n PHE 543 Ca -0.16 -2.25 -0.09 0.00 -0.56 0.00 0.00 57.45 54.39 1pms n PHE 543 Cb 0.52 0.05 -0.10 0.00 1.52 0.00 0.00 39.48 41.47 1pms n PHE 543 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1pms s SER 544 N -3.08 -0.26 0.24 5.98 1.04 -1.08 -2.85 113.70 113.68 1pms s SER 544 Ca 0.21 0.97 -0.30 0.00 0.48 0.00 0.00 55.95 57.31 1pms s SER 544 Cb 0.01 1.27 -0.09 0.00 0.10 0.00 0.00 66.02 67.32 1pms s SER 544 CO 0.15 -0.23 0.99 0.00 0.98 0.00 0.00 173.24 175.13 1pms s ALA 545 N 2.48 3.35 -0.11 5.32 0.00 -1.26 -1.09 121.76 130.45 1pms s ALA 545 Ca -0.02 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 52.62 1pms s ALA 545 Cb -0.12 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1pms s ALA 545 CO -0.13 0.07 2.36 1.63 0.00 0.00 0.00 175.76 179.69 1pms n LYS 546 N 1.58 1.47 -3.90 0.00 4.76 -1.26 -4.57 118.16 116.24 1pms n LYS 546 Ca -0.01 -0.73 -0.03 0.00 -2.87 0.00 0.00 58.31 54.68 1pms n LYS 546 Cb 0.47 -1.41 0.02 0.00 -1.84 0.00 0.00 35.03 32.26 1pms n LYS 546 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1pms s SER 547 N 1.44 0.02 -0.16 4.39 0.15 -1.26 -5.00 113.70 113.28 1pms s SER 547 Ca 0.24 -0.67 -0.13 0.00 0.70 0.00 0.00 55.95 56.09 1pms s SER 547 Cb 0.14 0.48 -0.23 0.00 -1.71 0.00 0.00 66.02 64.71 1pms s SER 547 CO -0.02 -0.96 0.28 0.00 1.20 0.00 0.00 173.24 173.74 1pms n ALA 548 N -0.73 0.86 0.21 5.45 0.00 -1.26 -3.16 120.51 121.87 1pms n ALA 548 Ca -0.02 -0.56 0.10 0.00 0.00 0.00 0.00 53.44 52.95 1pms n ALA 548 Cb 0.59 -0.61 0.25 0.00 0.00 0.00 0.00 19.45 19.68 1pms n ALA 548 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pms h GLU 549 N -0.39 0.00 0.12 0.00 5.08 -1.98 -3.03 114.58 114.39 1pms h GLU 549 Ca -0.40 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.68 1pms h GLU 549 Cb 1.73 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.99 1pms h GLU 549 CO -0.05 0.16 -1.22 0.93 -1.00 0.00 0.00 179.01 177.83 1pms h GLU 550 N 0.00 0.37 -0.43 2.33 4.39 -1.94 -1.82 114.58 117.49 1pms h GLU 550 Ca -0.00 -0.57 -0.11 0.00 0.34 0.00 0.00 59.36 59.02 1pms h GLU 550 Cb 0.99 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1pms h GLU 550 CO 0.02 1.25 -0.17 1.57 -1.16 0.00 0.00 179.01 180.52 1pms h LYS 551 N 0.13 0.88 -0.00 2.33 2.10 -1.54 -2.42 116.57 118.06 1pms h LYS 551 Ca -0.15 -0.37 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1pms h LYS 551 Cb 1.92 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.22 1pms h LYS 551 CO 0.21 1.01 -0.02 -1.71 -2.00 0.00 0.00 179.45 176.94 1pms n ASN 552 N -4.22 0.02 -0.02 7.07 2.85 -1.15 -2.76 115.26 117.05 1pms n ASN 552 Ca -0.01 0.38 -0.01 0.00 -0.11 0.00 0.00 54.58 54.83 1pms n ASN 552 Cb 0.42 -0.44 -0.01 0.00 1.24 0.00 0.00 39.78 41.00 1pms n ASN 552 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1pms h ASN 553 N 0.01 -0.06 -0.39 1.20 -0.73 -0.83 -2.63 115.58 112.14 1pms h ASN 553 Ca 0.00 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.12 1pms h ASN 553 Cb 0.47 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 1pms h ASN 553 CO 0.00 0.43 0.08 -0.50 -0.37 0.00 0.00 177.43 177.08 1pms h TRP 554 N -1.02 0.74 -0.44 0.67 4.06 -1.62 -1.46 115.95 116.88 1pms h TRP 554 Ca -0.01 -0.07 0.02 0.00 2.06 0.00 0.00 58.89 60.89 1pms h TRP 554 Cb 0.05 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 27.97 1pms h TRP 554 CO 0.00 0.65 0.27 1.98 -3.56 0.00 0.00 178.44 177.77 1pms h MET 555 N 0.69 0.52 -0.01 0.49 1.85 -1.64 -1.70 114.93 115.12 1pms h MET 555 Ca 0.15 -0.03 -0.10 0.00 -0.61 0.00 0.00 59.70 59.11 1pms h MET 555 Cb 0.30 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.20 1pms h MET 555 CO 0.00 0.34 -0.46 0.00 -0.40 0.00 0.00 176.91 176.40 1pms h ALA 556 N 1.19 1.21 -0.03 0.39 0.00 -1.05 -2.43 119.26 118.55 1pms h ALA 556 Ca 0.17 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1pms h ALA 556 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1pms h ALA 556 CO -0.08 0.58 0.03 0.00 0.00 0.00 0.00 179.25 179.79 1pms h ALA 557 N 1.51 1.62 0.00 0.00 0.00 -0.34 0.51 119.26 122.56 1pms h ALA 557 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pms h ALA 557 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pms h ALA 557 CO 0.06 -0.04 -0.16 -0.07 0.00 0.00 0.00 179.25 179.04 1pms h LEU 558 N 0.00 0.00 0.00 0.00 3.38 -1.17 -3.29 115.31 114.22 1pms h LEU 558 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1pms h LEU 558 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1pms h LEU 558 CO -0.00 0.62 0.00 -0.38 0.09 0.00 0.00 178.44 178.77 1pms n ILE 559 N -4.72 1.24 0.02 1.22 -0.00 -1.15 -1.98 119.36 113.99 1pms n ILE 559 Ca -0.03 0.31 -0.14 0.00 -0.00 0.00 0.00 62.75 62.89 1pms n ILE 559 Cb 0.11 -1.15 -0.03 0.00 -0.00 0.00 0.00 39.64 38.58 1pms n ILE 559 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1pms h SER 560 N 0.00 0.71 0.60 4.38 4.64 -0.06 -3.01 113.55 120.80 1pms h SER 560 Ca 0.00 -0.47 -0.23 0.00 -0.47 0.00 0.00 61.79 60.62 1pms h SER 560 Cb 0.15 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 1pms h SER 560 CO 0.00 1.25 -1.56 0.18 -0.87 0.00 0.00 176.83 175.83 1pms n LEU 561 N -3.87 0.86 -0.32 5.97 4.32 -0.84 -4.00 117.00 119.11 1pms n LEU 561 Ca -0.06 0.39 -0.02 0.00 -0.02 0.00 0.00 56.01 56.30 1pms n LEU 561 Cb 0.74 0.12 0.14 0.00 -1.62 0.00 0.00 43.42 42.80 1pms n LEU 561 CO 0.51 0.26 1.25 -0.61 -1.22 0.00 0.00 177.39 177.57 1pms h GLN 562 N 0.00 1.22 -0.88 3.23 5.75 -1.45 0.19 115.11 123.18 1pms h GLN 562 Ca -0.22 -0.10 0.19 0.00 -0.15 0.00 0.00 58.65 58.37 1pms h GLN 562 Cb 1.79 -0.26 -0.07 0.00 1.07 0.00 0.00 27.48 30.01 1pms h GLN 562 CO 0.06 0.84 0.58 1.88 -2.65 0.00 0.00 178.83 179.54 1pms h TYR 563 N 1.25 0.59 0.00 3.99 -1.99 -1.66 -3.39 116.97 115.76 1pms h TYR 563 Ca 0.33 0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.08 1pms h TYR 563 Cb -0.09 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.46 1pms h TYR 563 CO 0.00 0.18 0.00 2.89 -0.00 0.00 0.00 178.16 181.23 1pms n ARG 564 N -4.52 0.00 0.00 4.88 0.00 -0.56 -5.16 116.66 111.30 1pms n ARG 564 Ca 0.18 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.19 1pms n ARG 564 Cb 0.63 0.00 0.82 0.00 -0.00 0.00 0.00 32.46 33.92 1pms n ARG 564 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06