#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivt s SER 429 N 0.00 -0.07 0.08 6.43 0.01 -1.26 -5.19 113.70 113.70 1ivt s SER 429 Ca 0.00 -0.02 -0.26 0.00 1.31 0.00 0.00 55.95 56.99 1ivt s SER 429 Cb 0.00 0.09 0.07 0.00 0.21 0.00 0.00 66.02 66.39 1ivt s SER 429 CO 0.00 -0.14 0.66 0.12 0.41 0.00 0.00 173.24 174.29 1ivt s PHE 430 N -2.25 -0.55 -0.07 2.43 5.36 -1.26 -4.62 117.98 117.02 1ivt s PHE 430 Ca 0.11 0.55 -0.03 0.00 -0.96 0.00 0.00 56.93 56.60 1ivt s PHE 430 Cb 0.00 0.51 0.04 0.00 -0.34 0.00 0.00 43.02 43.24 1ivt s PHE 430 CO -0.04 -0.74 0.14 -1.12 -1.46 0.00 0.00 175.22 172.01 1ivt s SER 431 N -2.24 0.62 -0.02 6.13 0.01 0.02 -4.95 113.70 113.26 1ivt s SER 431 Ca -0.02 0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.60 1ivt s SER 431 Cb -0.01 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 1ivt s SER 431 CO -0.06 -0.23 -0.22 -1.58 0.41 0.00 0.00 173.24 171.57 1ivt s GLN 432 N 2.05 1.80 0.24 12.44 0.74 -1.26 -1.00 119.66 134.68 1ivt s GLN 432 Ca 0.01 -0.78 -0.15 0.00 0.05 0.00 0.00 55.36 54.48 1ivt s GLN 432 Cb -0.12 -1.73 0.01 0.00 1.10 0.00 0.00 33.01 32.27 1ivt s GLN 432 CO -0.05 0.46 0.53 -3.38 -0.55 0.00 0.00 175.29 172.30 1ivt s HIS 433 N -0.48 0.14 -0.09 1.67 -3.43 -0.19 -5.03 115.29 107.88 1ivt s HIS 433 Ca 0.08 -0.52 -0.20 0.00 -0.80 0.00 0.00 55.06 53.62 1ivt s HIS 433 Cb -0.09 0.34 0.04 0.00 -1.43 0.00 0.00 32.58 31.45 1ivt s HIS 433 CO -0.01 -1.02 0.47 0.00 -2.00 0.00 0.00 174.74 172.19 1ivt s ALA 434 N -3.96 -1.20 -0.07 -1.38 0.00 -1.26 0.15 121.76 114.03 1ivt s ALA 434 Ca 0.17 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 53.08 1ivt s ALA 434 Cb -0.02 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1ivt s ALA 434 CO 0.06 -0.28 0.18 1.03 0.00 0.00 0.00 175.76 176.75 1ivt s ARG 435 N -0.68 0.15 0.16 0.00 0.52 -0.44 -4.99 118.95 113.68 1ivt s ARG 435 Ca -0.08 0.37 -0.06 0.00 -0.52 0.00 0.00 55.73 55.44 1ivt s ARG 435 Cb -0.03 -0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.34 1ivt s ARG 435 CO 0.04 -0.12 0.22 -0.08 0.02 0.00 0.00 175.30 175.38 1ivt s THR 436 N 0.86 0.07 -0.01 0.02 -1.32 -1.26 -0.22 115.64 113.78 1ivt s THR 436 Ca -0.06 -1.57 -0.22 0.00 -1.21 0.00 0.00 61.69 58.62 1ivt s THR 436 Cb -0.08 -1.96 -0.13 0.00 -1.51 0.00 0.00 72.50 68.82 1ivt s THR 436 CO -0.05 -0.31 0.94 0.77 -2.21 0.00 0.00 174.62 173.76 1ivt h SER 437 N 2.62 -0.52 0.00 8.08 4.64 0.96 -3.48 113.55 125.85 1ivt h SER 437 Ca -0.33 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1ivt h SER 437 Cb 1.22 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1ivt h SER 437 CO 0.51 -0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 1ivt n GLY 438 N -0.07 1.69 0.12 -0.77 0.00 -1.26 -4.87 105.19 100.03 1ivt n GLY 438 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1ivt n GLY 438 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ivt n ARG 439 N 0.00 0.42 -3.70 1.61 0.00 -1.26 0.65 116.66 114.38 1ivt n ARG 439 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 1ivt n ARG 439 Cb 0.00 -1.05 -0.09 0.00 -0.00 0.00 0.00 32.46 31.32 1ivt n ARG 439 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ivt s VAL 440 N -1.76 0.02 0.04 8.89 1.01 -1.26 -4.46 120.40 122.88 1ivt s VAL 440 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1ivt s VAL 440 Cb 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1ivt s VAL 440 CO 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 175.10 174.95 1ivt s ALA 441 N -0.50 0.45 -0.85 5.51 0.00 0.15 -3.67 121.76 122.86 1ivt s ALA 441 Ca -0.06 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 1ivt s ALA 441 Cb -0.03 0.09 0.13 0.00 0.00 0.00 0.00 23.12 23.30 1ivt s ALA 441 CO 0.03 -0.08 1.03 0.08 0.00 0.00 0.00 175.76 176.82 1ivt s VAL 442 N -1.60 4.77 -0.02 0.00 1.01 -1.26 -2.62 120.40 120.67 1ivt s VAL 442 Ca -0.10 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.27 1ivt s VAL 442 Cb -0.09 -4.71 -0.10 0.00 0.00 0.00 0.00 36.38 31.49 1ivt s VAL 442 CO -0.01 -1.42 0.73 -0.08 0.00 0.00 0.00 175.10 174.32 1ivt h GLU 443 N 8.87 -0.60 -3.23 2.72 4.81 -1.62 -3.43 114.58 122.11 1ivt h GLU 443 Ca 0.05 0.04 -0.54 0.00 -0.13 0.00 0.00 59.36 58.78 1ivt h GLU 443 Cb 1.04 0.14 -0.40 0.00 0.63 0.00 0.00 28.75 30.15 1ivt h GLU 443 CO 1.08 -0.40 -0.77 -2.00 -0.73 0.00 0.00 179.01 176.20 1ivt s GLU 444 N -3.57 0.44 -0.29 1.92 2.56 -0.99 -5.04 118.70 113.73 1ivt s GLU 444 Ca -0.09 -0.63 -0.10 0.00 0.00 0.00 0.00 54.97 54.15 1ivt s GLU 444 Cb 0.01 -1.71 -0.04 0.00 2.00 0.00 0.00 34.13 34.40 1ivt s GLU 444 CO 0.27 -0.89 0.17 0.14 -0.56 0.00 0.00 175.26 174.40 1ivt s VAL 445 N 1.90 5.04 -0.52 3.70 -7.23 -1.26 -0.57 120.40 121.45 1ivt s VAL 445 Ca 0.06 -0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 60.03 1ivt s VAL 445 Cb -0.17 -3.44 0.08 0.00 0.56 0.00 0.00 36.38 33.41 1ivt s VAL 445 CO -0.24 0.21 0.61 -1.81 -0.31 0.00 0.00 175.10 173.56 1ivt s ASP 446 N 1.71 6.20 0.26 4.85 1.11 -0.14 -5.00 116.67 125.66 1ivt s ASP 446 Ca 0.06 -1.15 -0.10 0.00 0.18 0.00 0.00 52.55 51.55 1ivt s ASP 446 Cb -0.16 -2.27 -0.08 0.00 1.07 0.00 0.00 42.92 41.47 1ivt s ASP 446 CO 0.09 -0.91 -0.04 -0.62 1.18 0.00 0.00 175.17 174.86 1ivt n GLU 447 N 6.03 0.00 -0.74 8.23 1.02 -1.26 -1.16 120.64 132.76 1ivt n GLU 447 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1ivt n GLU 447 Cb 0.44 -0.53 0.00 0.00 -0.02 0.00 0.00 31.44 31.33 1ivt n GLU 447 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ivt n GLU 448 N 0.78 0.00 -1.43 3.49 4.71 -1.26 -2.23 120.64 124.70 1ivt n GLU 448 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1ivt n GLU 448 Cb 0.24 -3.55 0.00 0.00 -1.01 0.00 0.00 31.44 27.13 1ivt n GLU 448 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ivt n GLY 449 N -2.00 0.95 0.10 0.62 0.00 -1.25 -4.85 105.19 98.76 1ivt n GLY 449 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 1ivt n GLY 449 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ivt h LYS 450 N 0.00 -0.10 -2.67 1.61 1.57 -0.67 -3.42 116.57 112.89 1ivt h LYS 450 Ca 0.00 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1ivt h LYS 450 Cb 0.58 0.02 -0.16 0.00 0.08 0.00 0.00 32.23 32.75 1ivt h LYS 450 CO 0.00 0.44 0.08 -0.59 -0.57 0.00 0.00 179.45 178.81 1ivt s PHE 451 N -2.92 -0.47 -0.34 -1.35 -0.12 -1.06 -4.54 117.98 107.17 1ivt s PHE 451 Ca -0.13 0.56 -0.07 0.00 -0.05 0.00 0.00 56.93 57.25 1ivt s PHE 451 Cb -0.00 0.38 0.04 0.00 -0.63 0.00 0.00 43.02 42.80 1ivt s PHE 451 CO 0.49 -0.66 0.12 0.08 -0.05 0.00 0.00 175.22 175.20 1ivt s VAL 452 N -2.37 3.84 -0.23 -2.49 1.01 -1.04 -0.97 120.40 118.16 1ivt s VAL 452 Ca -0.06 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 1ivt s VAL 452 Cb -0.01 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1ivt s VAL 452 CO -0.01 -0.19 0.58 -0.60 0.00 0.00 0.00 175.10 174.87 1ivt s ARG 453 N 1.41 4.15 0.28 2.72 3.52 0.26 -2.37 118.95 128.91 1ivt s ARG 453 Ca -0.01 0.48 0.09 0.00 -0.13 0.00 0.00 55.73 56.16 1ivt s ARG 453 Cb -0.20 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 1ivt s ARG 453 CO 0.03 -0.29 0.06 -0.51 -0.81 0.00 0.00 175.30 173.78 1ivt s LEU 454 N 2.10 3.31 0.24 -0.88 1.43 0.03 -1.54 118.68 123.37 1ivt s LEU 454 Ca 0.25 -0.61 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 1ivt s LEU 454 Cb -0.16 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.28 1ivt s LEU 454 CO 0.09 -0.06 0.69 0.00 0.23 0.00 0.00 176.35 177.30 1ivt s ARG 455 N -3.74 1.63 -0.43 1.70 1.70 -1.08 -0.95 118.95 117.78 1ivt s ARG 455 Ca 0.33 -0.83 -0.18 0.00 -0.47 0.00 0.00 55.73 54.58 1ivt s ARG 455 Cb -0.06 0.60 0.03 0.00 -0.57 0.00 0.00 34.95 34.95 1ivt s ARG 455 CO 0.21 -0.74 0.48 1.21 -1.08 0.00 0.00 175.30 175.38 1ivt s ASN 456 N -2.87 6.21 0.04 -2.89 3.84 -1.07 -0.67 114.94 117.52 1ivt s ASN 456 Ca 0.08 -0.68 0.10 0.00 0.21 0.00 0.00 52.86 52.57 1ivt s ASN 456 Cb -0.04 -2.24 -0.22 0.00 -0.55 0.00 0.00 41.25 38.20 1ivt s ASN 456 CO 0.01 -0.64 0.96 0.50 -2.79 0.00 0.00 177.10 175.14 1ivt h LYS 457 N 8.77 0.00 0.00 0.43 3.11 -1.40 -2.32 116.57 125.16 1ivt h LYS 457 Ca -0.26 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.23 1ivt h LYS 457 Cb 1.11 0.00 0.09 0.00 -1.00 0.00 0.00 32.23 32.43 1ivt h LYS 457 CO 0.83 0.72 0.18 0.45 -2.81 0.00 0.00 179.45 178.82 1ivt n SER 458 N -3.18 0.65 -2.22 4.20 2.88 0.21 -4.85 113.62 111.31 1ivt n SER 458 Ca -0.09 -1.67 -0.30 0.00 -1.33 0.00 0.00 58.87 55.48 1ivt n SER 458 Cb 0.99 -0.61 0.05 0.00 -0.75 0.00 0.00 64.21 63.90 1ivt n SER 458 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ivt n ASN 459 N -3.22 6.45 -4.10 -3.46 6.94 -1.26 -3.61 115.26 113.00 1ivt n ASN 459 Ca 0.13 -3.77 -0.33 0.00 -0.02 0.00 0.00 54.58 50.59 1ivt n ASN 459 Cb 0.45 -0.70 -0.16 0.00 -2.36 0.00 0.00 39.78 37.01 1ivt n ASN 459 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ivt s GLU 460 N -3.73 2.71 -0.52 -3.83 8.01 -1.26 -4.73 118.70 115.35 1ivt s GLU 460 Ca 0.58 -0.97 -0.27 0.00 0.01 0.00 0.00 54.97 54.32 1ivt s GLU 460 Cb 0.46 -2.64 -0.09 0.00 -4.31 0.00 0.00 34.13 27.56 1ivt s GLU 460 CO -0.01 -0.32 2.42 -0.25 0.01 0.00 0.00 175.26 177.12 1ivt n ASP 461 N 4.57 2.17 -4.65 -0.19 9.92 -1.26 -4.43 116.55 122.68 1ivt n ASP 461 Ca -0.19 -0.33 -0.38 0.00 -0.53 0.00 0.00 54.79 53.37 1ivt n ASP 461 Cb 0.48 -1.49 -0.08 0.00 -0.64 0.00 0.00 41.12 39.38 1ivt n ASP 461 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1ivt s GLN 462 N 8.10 4.11 -0.91 -1.24 -0.44 -0.03 -4.87 119.66 124.38 1ivt s GLN 462 Ca 1.03 0.06 -0.24 0.00 -2.50 0.00 0.00 55.36 53.71 1ivt s GLN 462 Cb -0.34 -3.57 -0.01 0.00 -1.64 0.00 0.00 33.01 27.45 1ivt s GLN 462 CO 0.31 -0.09 1.73 -1.12 0.50 0.00 0.00 175.29 176.62 1ivt s SER 463 N 1.23 5.67 0.00 6.67 0.01 -1.26 -0.67 113.70 125.35 1ivt s SER 463 Ca 0.16 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1ivt s SER 463 Cb -0.15 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1ivt s SER 463 CO 0.08 -2.24 0.83 0.23 0.41 0.00 0.00 173.24 172.55 1ivt n MET 464 N 8.92 0.84 0.23 12.44 0.00 -1.16 -2.68 117.12 135.71 1ivt n MET 464 Ca 0.34 0.00 0.12 0.00 0.00 0.00 0.00 57.70 58.16 1ivt n MET 464 Cb 0.49 -1.00 0.40 0.00 0.00 0.00 0.00 33.22 33.11 1ivt n MET 464 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1ivt h GLY 465 N 5.01 0.00 -2.45 3.03 0.00 -1.29 -3.30 103.07 104.08 1ivt h GLY 465 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ivt h GLY 465 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1ivt n ASN 466 N -3.19 4.23 -4.79 0.19 5.03 -1.09 -2.93 115.26 112.72 1ivt n ASN 466 Ca 0.02 -2.44 -0.33 0.00 0.87 0.00 0.00 54.58 52.70 1ivt n ASN 466 Cb 0.45 -0.50 0.03 0.00 -1.02 0.00 0.00 39.78 38.74 1ivt n ASN 466 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1ivt s TRP 467 N -1.81 2.86 -0.09 3.10 0.52 -1.24 -4.62 118.94 117.65 1ivt s TRP 467 Ca 0.44 1.52 -0.03 0.00 0.02 0.00 0.00 56.10 58.04 1ivt s TRP 467 Cb 0.29 -3.05 0.05 0.00 -1.15 0.00 0.00 33.47 29.61 1ivt s TRP 467 CO 0.21 -1.36 0.17 -0.65 0.02 0.00 0.00 176.95 175.34 1ivt s GLN 468 N -4.23 0.07 -0.40 4.98 -0.21 -1.09 -0.95 119.66 117.83 1ivt s GLN 468 Ca 0.64 0.54 -0.13 0.00 0.02 0.00 0.00 55.36 56.43 1ivt s GLN 468 Cb -0.17 -0.21 0.03 0.00 1.00 0.00 0.00 33.01 33.65 1ivt s GLN 468 CO 0.41 -0.27 0.27 0.42 -2.12 0.00 0.00 175.29 174.00 1ivt s ILE 469 N 2.01 4.96 -0.21 1.08 -1.09 0.01 -0.71 121.20 127.26 1ivt s ILE 469 Ca -0.00 -0.78 -0.07 0.00 -2.23 0.00 0.00 60.65 57.57 1ivt s ILE 469 Cb -0.12 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1ivt s ILE 469 CO -0.06 -0.30 0.06 -0.54 -1.23 0.00 0.00 174.94 172.87 1ivt s LYS 470 N 1.62 3.82 -0.09 2.79 1.02 -0.10 -0.93 119.74 127.87 1ivt s LYS 470 Ca 0.04 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 55.64 1ivt s LYS 470 Cb -0.19 -3.24 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1ivt s LYS 470 CO 0.08 0.08 -0.17 1.03 -0.92 0.00 0.00 175.35 175.45 1ivt s ARG 471 N 0.90 2.28 -0.11 1.68 1.81 -0.54 -1.78 118.95 123.19 1ivt s ARG 471 Ca 0.03 -0.60 0.03 0.00 -1.72 0.00 0.00 55.73 53.47 1ivt s ARG 471 Cb -0.14 -1.84 0.01 0.00 -0.45 0.00 0.00 34.95 32.53 1ivt s ARG 471 CO 0.03 0.04 -0.20 -1.14 -0.68 0.00 0.00 175.30 173.35 1ivt s GLN 472 N 0.69 2.69 -0.08 3.54 -0.44 -0.87 -2.42 119.66 122.77 1ivt s GLN 472 Ca -0.13 -0.74 -0.01 0.00 -2.50 0.00 0.00 55.36 51.98 1ivt s GLN 472 Cb -0.16 -2.15 0.03 0.00 -1.64 0.00 0.00 33.01 29.08 1ivt s GLN 472 CO 0.03 0.03 -0.03 0.54 0.50 0.00 0.00 175.29 176.37 1ivt s ASN 473 N 0.71 1.64 1.53 6.67 6.03 -1.26 -2.59 114.94 127.68 1ivt s ASN 473 Ca -0.11 -0.15 0.00 0.00 -1.03 0.00 0.00 52.86 51.57 1ivt s ASN 473 Cb -0.16 -0.55 0.00 0.00 -3.03 0.00 0.00 41.25 37.51 1ivt s ASN 473 CO 0.02 -0.15 0.00 0.61 -2.03 0.00 0.00 177.10 175.55 1ivt n GLY 474 N 4.90 2.25 1.18 0.45 0.00 -0.71 -1.87 105.19 111.38 1ivt n GLY 474 Ca -0.11 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 1ivt n GLY 474 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ivt n ASP 475 N 5.59 2.99 -2.69 1.61 9.92 -1.26 -4.84 116.55 127.86 1ivt n ASP 475 Ca 0.00 -3.84 -0.06 0.00 -0.53 0.00 0.00 54.79 50.36 1ivt n ASP 475 Cb 0.00 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 1ivt n ASP 475 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ivt n ASP 476 N -0.99 1.42 -4.77 -2.24 9.92 -0.78 -5.09 116.55 114.02 1ivt n ASP 476 Ca 0.30 -1.46 -0.41 0.00 -0.53 0.00 0.00 54.79 52.69 1ivt n ASP 476 Cb 0.83 -0.01 -0.00 0.00 -0.64 0.00 0.00 41.12 41.30 1ivt n ASP 476 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1ivt s PRO 477 N -2.55 4.09 -0.19 -0.24 0.02 -1.26 -4.63 135.00 130.23 1ivt s PRO 477 Ca 0.08 2.43 -0.19 0.00 0.02 0.00 0.00 61.00 63.33 1ivt s PRO 477 Cb -0.01 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.56 1ivt s PRO 477 CO 0.05 -0.49 0.57 -1.17 -0.33 0.00 0.00 177.00 175.63 1ivt s LEU 478 N -2.15 4.15 0.15 -5.54 1.98 -1.26 -4.03 118.68 111.98 1ivt s LEU 478 Ca 0.53 0.76 -0.02 0.00 -2.89 0.00 0.00 54.13 52.50 1ivt s LEU 478 Cb -0.44 -2.79 -0.03 0.00 0.66 0.00 0.00 46.19 43.59 1ivt s LEU 478 CO 0.58 -0.21 0.11 -1.48 -1.89 0.00 0.00 176.35 173.46 1ivt s LEU 479 N 1.71 1.52 0.01 -0.68 0.05 -1.01 -5.07 118.68 115.20 1ivt s LEU 479 Ca 0.26 -1.18 -0.01 0.00 0.05 0.00 0.00 54.13 53.25 1ivt s LEU 479 Cb -0.16 0.48 -0.01 0.00 -2.05 0.00 0.00 46.19 44.46 1ivt s LEU 479 CO 0.10 -0.78 0.01 -0.89 -0.55 0.00 0.00 176.35 174.24 1ivt s THR 480 N -4.05 0.07 -0.20 5.48 2.01 -1.26 -1.47 115.64 116.22 1ivt s THR 480 Ca 0.25 -0.55 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1ivt s THR 480 Cb 0.07 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 1ivt s THR 480 CO 0.03 -0.30 0.01 -0.47 -0.69 0.00 0.00 174.62 173.19 1ivt s TYR 481 N -0.91 3.06 -0.08 4.92 5.04 -0.11 -4.99 117.35 124.27 1ivt s TYR 481 Ca -0.10 -0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.08 1ivt s TYR 481 Cb -0.06 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 1ivt s TYR 481 CO -0.00 -0.20 0.13 1.03 -1.34 0.00 0.00 175.55 175.17 1ivt s ARG 482 N 0.93 3.36 0.47 4.97 0.52 -1.26 -0.81 118.95 127.14 1ivt s ARG 482 Ca 0.01 -0.23 -0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1ivt s ARG 482 Cb -0.14 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 1ivt s ARG 482 CO 0.02 0.74 0.76 -0.06 0.02 0.00 0.00 175.30 176.78 1ivt s PHE 483 N -1.09 3.50 -0.02 -0.53 0.40 -0.13 -5.00 117.98 115.11 1ivt s PHE 483 Ca 0.18 0.69 -0.23 0.00 -0.60 0.00 0.00 56.93 56.97 1ivt s PHE 483 Cb -0.12 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1ivt s PHE 483 CO 0.08 -0.29 0.71 -1.25 0.70 0.00 0.00 175.22 175.16 1ivt s PRO 484 N -4.70 4.44 0.00 0.24 0.04 -1.25 -4.73 135.00 129.03 1ivt s PRO 484 Ca 0.47 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1ivt s PRO 484 Cb -0.10 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1ivt s PRO 484 CO 0.43 0.18 0.38 -0.35 0.04 0.00 0.00 177.00 177.68 1ivt n PRO 485 N 3.29 0.41 -0.02 0.56 -0.04 -1.15 -4.05 135.00 134.00 1ivt n PRO 485 Ca -0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1ivt n PRO 485 Cb 0.51 -1.28 -0.04 0.00 -0.04 0.00 0.00 33.50 32.65 1ivt n PRO 485 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ivt n LYS 486 N 0.70 3.20 -2.51 0.54 2.85 -1.26 -4.88 118.16 116.80 1ivt n LYS 486 Ca 0.00 -0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.98 1ivt n LYS 486 Cb 0.19 -1.13 0.01 0.00 -0.65 0.00 0.00 35.03 33.45 1ivt n LYS 486 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1ivt s PHE 487 N -2.12 3.47 -0.08 5.58 2.19 -1.26 -4.87 117.98 120.89 1ivt s PHE 487 Ca -0.02 0.78 -0.07 0.00 0.33 0.00 0.00 56.93 57.95 1ivt s PHE 487 Cb 0.01 -2.46 0.02 0.00 -1.31 0.00 0.00 43.02 39.29 1ivt s PHE 487 CO 0.20 -0.48 0.22 0.99 1.83 0.00 0.00 175.22 177.98 1ivt s THR 488 N -2.85 -0.01 0.04 0.12 2.01 -1.26 -1.09 115.64 112.61 1ivt s THR 488 Ca 0.50 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 1ivt s THR 488 Cb -0.10 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.03 1ivt s THR 488 CO 0.45 0.01 0.46 -0.22 -0.69 0.00 0.00 174.62 174.63 1ivt s LEU 489 N 0.28 4.45 -0.21 4.42 2.96 0.16 -4.82 118.68 125.92 1ivt s LEU 489 Ca -0.01 1.02 -0.10 0.00 -0.22 0.00 0.00 54.13 54.81 1ivt s LEU 489 Cb -0.03 -2.78 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 1ivt s LEU 489 CO -0.01 0.27 0.13 -0.54 -1.32 0.00 0.00 176.35 174.88 1ivt s LYS 490 N -1.30 4.14 -0.23 1.98 -0.14 -1.26 -0.85 119.74 122.08 1ivt s LYS 490 Ca 0.28 -0.24 -0.03 0.00 -1.36 0.00 0.00 55.97 54.62 1ivt s LYS 490 Cb -0.17 -3.42 -0.08 0.00 -1.68 0.00 0.00 37.83 32.48 1ivt s LYS 490 CO 0.16 0.25 0.52 0.00 -0.76 0.00 0.00 175.35 175.51 1ivt n ALA 491 N 3.68 0.25 -3.45 5.17 0.00 -1.26 -0.54 120.51 124.35 1ivt n ALA 491 Ca -0.16 -0.18 -0.20 0.00 0.00 0.00 0.00 53.44 52.91 1ivt n ALA 491 Cb 0.52 -0.56 0.06 0.00 0.00 0.00 0.00 19.45 19.47 1ivt n ALA 491 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivt n GLY 492 N 1.32 -0.79 3.91 0.00 0.00 -0.87 -4.92 105.19 103.84 1ivt n GLY 492 Ca 0.16 0.37 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 1ivt n GLY 492 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ivt s GLN 493 N -5.19 3.51 0.03 1.61 -0.44 0.30 -4.84 119.66 114.63 1ivt s GLN 493 Ca 0.27 0.11 -0.00 0.00 -2.50 0.00 0.00 55.36 53.24 1ivt s GLN 493 Cb -0.05 -2.41 -0.04 0.00 -1.64 0.00 0.00 33.01 28.86 1ivt s GLN 493 CO 0.77 -0.18 0.14 0.08 0.50 0.00 0.00 175.29 176.60 1ivt s VAL 494 N -2.69 5.02 0.03 1.34 1.01 -1.26 -2.61 120.40 121.24 1ivt s VAL 494 Ca 0.47 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1ivt s VAL 494 Cb -0.10 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1ivt s VAL 494 CO 0.44 0.25 -0.01 0.68 0.00 0.00 0.00 175.10 176.45 1ivt s VAL 495 N -1.34 0.16 -0.07 2.92 -7.23 -0.13 -4.96 120.40 109.74 1ivt s VAL 495 Ca 0.28 -1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.15 1ivt s VAL 495 Cb -0.12 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.03 1ivt s VAL 495 CO 0.20 -0.71 0.04 -0.89 -0.31 0.00 0.00 175.10 173.43 1ivt s THR 496 N -2.55 0.14 0.13 5.32 2.01 -0.35 -0.79 115.64 119.56 1ivt s THR 496 Ca -0.06 0.18 0.10 0.00 0.31 0.00 0.00 61.69 62.22 1ivt s THR 496 Cb -0.02 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1ivt s THR 496 CO -0.05 0.15 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.20 1ivt s ILE 497 N 2.06 2.69 -0.52 1.82 1.09 -1.00 -0.89 121.20 126.45 1ivt s ILE 497 Ca 0.04 -1.61 0.00 0.00 -1.10 0.00 0.00 60.65 57.98 1ivt s ILE 497 Cb -0.13 -2.24 0.00 0.00 -1.06 0.00 0.00 42.46 39.04 1ivt s ILE 497 CO -0.05 0.07 0.00 0.79 -0.10 0.00 0.00 174.94 175.65 1ivt n TRP 498 N 0.74 0.00 -3.08 3.97 5.03 -0.02 -2.49 117.44 121.58 1ivt n TRP 498 Ca -0.16 0.00 -0.39 0.00 3.03 0.00 0.00 57.50 59.98 1ivt n TRP 498 Cb 0.53 0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.76 1ivt n TRP 498 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1ivt s ALA 499 N -1.00 3.45 0.42 6.99 0.00 -1.26 -1.34 121.76 129.02 1ivt s ALA 499 Ca 0.00 0.20 0.29 0.00 0.00 0.00 0.00 51.96 52.44 1ivt s ALA 499 Cb 0.00 -2.87 1.42 0.00 0.00 0.00 0.00 23.12 21.67 1ivt s ALA 499 CO 0.00 0.18 1.61 0.00 0.00 0.00 0.00 175.76 177.55 1ivt h ALA 500 N 5.24 2.64 -0.56 0.00 0.00 -1.12 -1.97 119.26 123.48 1ivt h ALA 500 Ca -0.46 0.15 -0.40 0.00 0.00 0.00 0.00 54.91 54.20 1ivt h ALA 500 Cb 1.21 0.23 -0.38 0.00 0.00 0.00 0.00 17.79 18.85 1ivt h ALA 500 CO 0.69 -1.31 -0.87 0.41 0.00 0.00 0.00 179.25 178.17 1ivt n GLY 501 N -1.47 4.92 0.04 0.00 0.00 -1.21 -4.78 105.19 102.69 1ivt n GLY 501 Ca 0.38 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 44.47 1ivt n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivt n ALA 502 N -0.68 2.41 0.00 4.61 0.00 -0.74 -4.77 120.51 121.34 1ivt n ALA 502 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ivt n ALA 502 Cb 0.91 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1ivt n ALA 502 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivt n GLY 503 N 1.43 1.01 3.94 0.00 0.00 -1.26 -4.85 105.19 105.46 1ivt n GLY 503 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1ivt n GLY 503 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivt s ALA 504 N -2.00 3.71 -0.11 4.61 0.00 -1.26 -5.12 121.76 121.58 1ivt s ALA 504 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 1ivt s ALA 504 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 1ivt s ALA 504 CO 0.00 -0.05 0.09 0.99 0.00 0.00 0.00 175.76 176.79 1ivt s THR 505 N -2.33 5.05 -0.63 0.00 2.01 -1.26 -4.89 115.64 113.59 1ivt s THR 505 Ca 0.41 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 62.17 1ivt s THR 505 Cb -0.10 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.26 1ivt s THR 505 CO 0.36 0.61 1.34 -1.38 -0.69 0.00 0.00 174.62 174.87 1ivt s HIS 506 N -0.96 2.32 -0.40 4.92 -0.00 -1.26 -4.79 115.29 115.13 1ivt s HIS 506 Ca 0.14 0.30 0.10 0.00 -0.00 0.00 0.00 55.06 55.60 1ivt s HIS 506 Cb -0.12 -4.49 0.31 0.00 -0.00 0.00 0.00 32.58 28.29 1ivt s HIS 506 CO 0.03 -1.94 0.75 0.45 -0.00 0.00 0.00 174.74 174.04 1ivt n SER 507 N 9.43 -0.09 -4.76 7.38 2.88 -0.72 -5.02 113.62 122.72 1ivt n SER 507 Ca 0.09 -3.07 -0.39 0.00 -1.33 0.00 0.00 58.87 54.17 1ivt n SER 507 Cb 0.49 -0.05 0.03 0.00 -0.75 0.00 0.00 64.21 63.93 1ivt n SER 507 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1ivt s PRO 508 N -1.49 3.43 -0.32 -1.46 0.02 -1.11 -0.23 135.00 133.83 1ivt s PRO 508 Ca 0.35 2.36 0.01 0.00 0.02 0.00 0.00 61.00 63.74 1ivt s PRO 508 Cb 0.29 -2.48 0.36 0.00 0.02 0.00 0.00 34.50 32.69 1ivt s PRO 508 CO -0.09 -1.00 1.73 -0.35 -0.33 0.00 0.00 177.00 176.96 1ivt n PRO 509 N -0.57 1.86 -0.04 5.54 -0.04 -1.26 -4.86 135.00 135.63 1ivt n PRO 509 Ca 0.07 -1.91 -0.05 0.00 -0.04 0.00 0.00 63.50 61.58 1ivt n PRO 509 Cb 0.43 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 32.10 1ivt n PRO 509 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ivt n THR 510 N -0.32 0.45 -3.79 0.52 -2.24 -0.11 -4.87 114.28 103.93 1ivt n THR 510 Ca 0.37 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.64 1ivt n THR 510 Cb 1.00 -0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 68.27 1ivt n THR 510 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ivt s ASP 511 N -4.35 3.83 -0.60 3.42 -1.08 0.68 -1.21 116.67 117.36 1ivt s ASP 511 Ca -0.08 -1.44 -0.09 0.00 -0.52 0.00 0.00 52.55 50.43 1ivt s ASP 511 Cb 0.02 -0.92 0.16 0.00 -1.46 0.00 0.00 42.92 40.72 1ivt s ASP 511 CO 0.22 -0.36 0.48 -0.76 0.52 0.00 0.00 175.17 175.27 1ivt s LEU 512 N 1.58 5.85 -0.16 -1.34 2.01 -0.07 -1.76 118.68 124.79 1ivt s LEU 512 Ca 0.05 -2.35 -0.18 0.00 0.01 0.00 0.00 54.13 51.66 1ivt s LEU 512 Cb -0.18 -2.02 -0.04 0.00 0.01 0.00 0.00 46.19 43.96 1ivt s LEU 512 CO -0.17 -0.58 0.49 0.68 1.01 0.00 0.00 176.35 177.77 1ivt s VAL 513 N 0.70 5.15 0.24 -1.59 -7.23 -1.26 -0.84 120.40 115.58 1ivt s VAL 513 Ca 0.12 0.94 0.01 0.00 -1.81 0.00 0.00 61.98 61.23 1ivt s VAL 513 Cb -0.21 -3.82 -0.04 0.00 0.56 0.00 0.00 36.38 32.87 1ivt s VAL 513 CO -0.03 0.26 0.42 0.86 -0.31 0.00 0.00 175.10 176.29 1ivt s TRP 514 N 1.11 3.48 -0.12 2.82 -0.11 -0.45 -4.85 118.94 120.81 1ivt s TRP 514 Ca 0.25 0.26 -0.08 0.00 1.22 0.00 0.00 56.10 57.75 1ivt s TRP 514 Cb -0.15 -1.80 -0.26 0.00 -1.50 0.00 0.00 33.47 29.76 1ivt s TRP 514 CO 0.10 0.34 0.36 1.17 -4.62 0.00 0.00 176.95 174.29 1ivt n LYS 515 N -1.08 0.75 0.03 5.86 4.81 -1.26 -1.78 118.16 125.49 1ivt n LYS 515 Ca -0.06 0.28 -0.08 0.00 -0.87 0.00 0.00 58.31 57.59 1ivt n LYS 515 Cb 0.55 -1.71 -0.13 0.00 0.02 0.00 0.00 35.03 33.76 1ivt n LYS 515 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ivt h ALA 516 N 0.04 0.52 -2.49 3.14 0.00 -1.99 -3.41 119.26 115.06 1ivt h ALA 516 Ca -0.42 -1.13 -0.77 0.00 0.00 0.00 0.00 54.91 52.58 1ivt h ALA 516 Cb 1.99 0.10 -0.26 0.00 0.00 0.00 0.00 17.79 19.63 1ivt h ALA 516 CO 0.07 1.38 -0.09 -1.14 0.00 0.00 0.00 179.25 179.48 1ivt s GLN 517 N -2.66 3.24 0.00 0.00 0.74 -1.26 -4.93 119.66 114.78 1ivt s GLN 517 Ca -0.01 -2.09 0.22 0.00 0.05 0.00 0.00 55.36 53.52 1ivt s GLN 517 Cb 0.09 -4.32 0.54 0.00 1.10 0.00 0.00 33.01 30.42 1ivt s GLN 517 CO 0.82 -1.30 1.45 0.27 -0.55 0.00 0.00 175.29 175.98 1ivt n ASN 518 N 4.58 2.72 0.00 6.67 6.94 -1.26 -2.67 115.26 132.24 1ivt n ASN 518 Ca -0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 1ivt n ASN 518 Cb 0.43 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 1ivt n ASN 518 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1ivt n THR 519 N 1.01 0.00 0.00 5.53 5.66 -1.26 -3.31 114.28 121.91 1ivt n THR 519 Ca 0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1ivt n THR 519 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1ivt n THR 519 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 1ivt n TRP 520 N 1.99 0.00 0.00 1.09 4.27 -1.26 -4.84 117.44 118.69 1ivt n TRP 520 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1ivt n TRP 520 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 1ivt n TRP 520 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ivt n GLY 521 N 4.69 0.61 3.28 -1.67 0.00 -1.26 -5.10 105.19 105.74 1ivt n GLY 521 Ca 0.00 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1ivt n GLY 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivt n GLY 523 N 3.33 4.32 0.12 0.00 0.00 -1.26 -4.05 105.19 107.65 1ivt n GLY 523 Ca -0.18 -2.08 -0.22 0.00 0.00 0.00 0.00 46.02 43.54 1ivt n GLY 523 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ivt n ASN 524 N -0.49 1.97 -3.56 1.61 0.23 -1.26 -4.72 115.26 109.04 1ivt n ASN 524 Ca 0.28 0.32 -0.17 0.00 -0.53 0.00 0.00 54.58 54.47 1ivt n ASN 524 Cb 0.82 -0.90 -0.14 0.00 -2.08 0.00 0.00 39.78 37.48 1ivt n ASN 524 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1ivt s SER 525 N -6.96 1.08 -0.16 0.53 1.04 -1.26 0.37 113.70 108.34 1ivt s SER 525 Ca -0.27 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.19 1ivt s SER 525 Cb 0.07 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1ivt s SER 525 CO 0.65 -0.29 -0.17 -0.22 0.98 0.00 0.00 173.24 174.19 1ivt s LEU 526 N 2.33 1.91 -0.14 2.42 0.20 0.70 -1.75 118.68 124.35 1ivt s LEU 526 Ca 0.05 -0.57 0.01 0.00 0.69 0.00 0.00 54.13 54.30 1ivt s LEU 526 Cb -0.14 -1.32 0.02 0.00 -0.43 0.00 0.00 46.19 44.32 1ivt s LEU 526 CO -0.10 -0.03 -0.15 -0.13 -0.29 0.00 0.00 176.35 175.65 1ivt s ARG 527 N 1.39 2.33 -0.08 1.98 0.52 -1.07 -1.37 118.95 122.65 1ivt s ARG 527 Ca 0.05 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 1ivt s ARG 527 Cb -0.13 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1ivt s ARG 527 CO -0.12 -0.21 -0.19 0.99 0.02 0.00 0.00 175.30 175.79 1ivt s THR 528 N 1.40 1.68 -0.14 0.02 2.01 -0.39 -2.04 115.64 118.19 1ivt s THR 528 Ca 0.03 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 1ivt s THR 528 Cb -0.13 -1.46 0.05 0.00 0.01 0.00 0.00 72.50 70.96 1ivt s THR 528 CO -0.09 0.48 0.51 0.00 -0.69 0.00 0.00 174.62 174.82 1ivt s ALA 529 N 0.36 -1.28 -0.08 7.40 0.00 -0.73 -0.90 121.76 126.52 1ivt s ALA 529 Ca -0.14 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.97 1ivt s ALA 529 Cb -0.16 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1ivt s ALA 529 CO 0.06 -0.27 0.24 -1.17 0.00 0.00 0.00 175.76 174.62 1ivt s LEU 530 N -0.24 4.41 -0.23 0.00 1.98 -0.22 -0.92 118.68 123.46 1ivt s LEU 530 Ca -0.04 0.64 -0.09 0.00 -2.89 0.00 0.00 54.13 51.75 1ivt s LEU 530 Cb -0.03 -2.27 -0.04 0.00 0.66 0.00 0.00 46.19 44.50 1ivt s LEU 530 CO 0.03 0.36 0.12 -0.63 -1.89 0.00 0.00 176.35 174.33 1ivt s ILE 531 N -0.93 5.03 0.00 6.68 -1.09 0.11 -2.41 121.20 128.59 1ivt s ILE 531 Ca 0.18 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1ivt s ILE 531 Cb -0.14 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1ivt s ILE 531 CO 0.07 0.37 0.00 -0.46 -1.23 0.00 0.00 174.94 173.70 1ivt n ASN 532 N 4.20 -0.79 0.00 3.58 6.94 0.26 -2.67 115.26 126.79 1ivt n ASN 532 Ca -0.16 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.54 1ivt n ASN 532 Cb 0.52 0.00 0.75 0.00 -2.36 0.00 0.00 39.78 38.69 1ivt n ASN 532 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1ivt n SER 533 N -1.18 0.00 -0.08 0.53 3.41 -1.26 -3.84 113.62 111.19 1ivt n SER 533 Ca 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 1ivt n SER 533 Cb 0.00 -0.12 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1ivt n SER 533 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ivt n THR 534 N -1.12 0.24 -3.02 6.66 -2.24 -1.26 -4.76 114.28 108.77 1ivt n THR 534 Ca 0.17 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1ivt n THR 534 Cb 0.14 0.79 0.04 0.00 -2.10 0.00 0.00 70.33 69.20 1ivt n THR 534 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ivt n GLY 535 N -0.14 0.18 3.47 3.38 0.00 -1.25 -5.08 105.19 105.75 1ivt n GLY 535 Ca 0.01 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1ivt n GLY 535 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ivt s GLU 536 N -5.62 2.57 0.00 1.61 2.02 -1.26 -4.91 118.70 113.11 1ivt s GLU 536 Ca 0.29 -0.69 -0.30 0.00 0.02 0.00 0.00 54.97 54.28 1ivt s GLU 536 Cb -0.13 -2.40 -0.06 0.00 0.10 0.00 0.00 34.13 31.64 1ivt s GLU 536 CO 0.36 0.59 1.45 -2.00 0.02 0.00 0.00 175.26 175.68 1ivt s GLU 537 N -0.65 4.26 0.00 1.61 2.12 -1.26 -0.57 118.70 124.20 1ivt s GLU 537 Ca 0.10 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.45 1ivt s GLU 537 Cb -0.11 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1ivt s GLU 537 CO 0.01 -0.61 0.00 1.33 -0.54 0.00 0.00 175.26 175.45 1ivt n VAL 538 N 4.72 0.00 -3.33 3.70 0.24 -1.01 -4.90 118.33 117.75 1ivt n VAL 538 Ca 0.14 -0.04 -0.10 0.00 -2.04 0.00 0.00 64.34 62.30 1ivt n VAL 538 Cb 0.43 0.36 -0.07 0.00 -1.47 0.00 0.00 33.84 33.08 1ivt n VAL 538 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ivt s ALA 539 N -0.54 -1.09 0.06 2.33 0.00 -1.18 0.13 121.76 121.47 1ivt s ALA 539 Ca 0.00 0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.54 1ivt s ALA 539 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1ivt s ALA 539 CO 0.00 -1.51 -0.17 0.00 0.00 0.00 0.00 175.76 174.08 1ivt s MET 540 N 2.53 2.04 -0.02 0.00 0.00 0.70 -1.06 119.30 123.48 1ivt s MET 540 Ca 0.11 -1.01 0.03 0.00 0.00 0.00 0.00 55.69 54.81 1ivt s MET 540 Cb -0.14 -2.20 -0.00 0.00 0.00 0.00 0.00 34.83 32.49 1ivt s MET 540 CO -0.23 0.53 -0.10 0.50 0.00 0.00 0.00 175.02 175.72 1ivt s ARG 541 N -1.67 0.96 0.00 3.16 3.00 -0.08 -1.32 118.95 123.00 1ivt s ARG 541 Ca 0.16 -0.34 0.02 0.00 -1.00 0.00 0.00 55.73 54.58 1ivt s ARG 541 Cb -0.11 -0.90 -0.01 0.00 0.00 0.00 0.00 34.95 33.94 1ivt s ARG 541 CO 0.07 0.15 -0.07 0.21 0.00 0.00 0.00 175.30 175.66 1ivt s LYS 542 N 0.06 0.55 -0.07 5.12 2.20 0.12 -1.26 119.74 126.47 1ivt s LYS 542 Ca -0.01 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.29 1ivt s LYS 542 Cb -0.07 -0.51 0.02 0.00 -1.51 0.00 0.00 37.83 35.75 1ivt s LYS 542 CO 0.00 0.14 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.52 1ivt s LEU 543 N -0.37 1.52 -0.26 5.43 1.43 -0.47 -1.02 118.68 124.93 1ivt s LEU 543 Ca 0.01 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1ivt s LEU 543 Cb -0.04 -0.76 0.14 0.00 0.03 0.00 0.00 46.19 45.57 1ivt s LEU 543 CO -0.00 -0.01 0.39 0.54 0.23 0.00 0.00 176.35 177.50 1ivt s VAL 544 N 0.87 -0.61 -0.12 -1.59 0.11 -0.17 -0.21 120.40 118.68 1ivt s VAL 544 Ca -0.11 -0.17 -0.12 0.00 -2.93 0.00 0.00 61.98 58.65 1ivt s VAL 544 Cb -0.15 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1ivt s VAL 544 CO 0.01 -0.19 -0.23 -1.14 -3.33 0.00 0.00 175.10 170.22 1ivt n ARG 545 N 5.36 0.36 0.00 1.54 0.63 0.16 -0.80 116.66 123.91 1ivt n ARG 545 Ca -0.02 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 1ivt n ARG 545 Cb 0.50 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.25 1ivt n ARG 545 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ivt n SER 546 N -3.85 0.36 0.00 6.15 2.88 -0.56 -4.59 113.62 114.01 1ivt n SER 546 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1ivt n SER 546 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1ivt n SER 546 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ivt n VAL 547 N 0.00 0.00 -1.09 2.46 0.24 -1.26 -4.22 118.33 114.45 1ivt n VAL 547 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 1ivt n VAL 547 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 1ivt n VAL 547 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1ivt n THR 548 N 0.00 3.29 0.05 3.34 5.66 -1.26 -4.62 114.28 120.73 1ivt n THR 548 Ca 0.00 -1.81 0.01 0.00 -3.05 0.00 0.00 64.05 59.20 1ivt n THR 548 Cb 0.00 -2.09 0.00 0.00 -1.55 0.00 0.00 70.33 66.69 1ivt n THR 548 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57