#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1toz s ASP 412 N 0.00 -0.61 0.18 1.08 3.68 -1.26 -4.45 116.67 115.29 1toz s ASP 412 Ca 0.00 1.15 0.04 0.00 2.13 0.00 0.00 52.55 55.88 1toz s ASP 412 Cb 0.00 1.33 -0.04 0.00 -1.45 0.00 0.00 42.92 42.76 1toz s ASP 412 CO 0.00 -0.22 0.22 0.54 0.13 0.00 0.00 175.17 175.84 1toz s VAL 413 N 2.10 4.86 -1.20 1.11 0.11 -1.26 -5.00 120.40 121.12 1toz s VAL 413 Ca -0.06 -0.97 -0.11 0.00 -2.93 0.00 0.00 61.98 57.91 1toz s VAL 413 Cb -0.10 -3.52 0.20 0.00 -1.53 0.00 0.00 36.38 31.43 1toz s VAL 413 CO -0.15 -0.15 1.49 -0.67 -3.33 0.00 0.00 175.10 172.28 1toz n ASP 414 N -0.63 5.34 0.30 3.54 4.64 -1.26 -4.59 116.55 123.90 1toz n ASP 414 Ca -0.08 -3.05 0.17 0.00 -1.38 0.00 0.00 54.79 50.45 1toz n ASP 414 Cb 0.55 -1.49 0.87 0.00 -1.04 0.00 0.00 41.12 40.01 1toz n ASP 414 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1toz h GLU 415 N 6.60 0.00 0.00 -0.67 3.07 -1.89 1.77 114.58 123.47 1toz h GLU 415 Ca 0.30 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 1toz h GLU 415 Cb 0.80 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1toz h GLU 415 CO 1.30 0.00 -0.03 0.00 -1.40 0.00 0.00 179.01 178.88 1toz n SER 417 N -3.11 0.28 0.00 0.00 2.88 0.58 -4.55 113.62 109.69 1toz n SER 417 Ca 0.03 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1toz n SER 417 Cb 0.49 0.83 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 1toz n SER 417 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1toz n LEU 418 N -2.75 0.70 -0.84 2.46 4.77 0.38 -4.89 117.00 116.83 1toz n LEU 418 Ca -0.23 0.45 -0.03 0.00 -0.03 0.00 0.00 56.01 56.17 1toz n LEU 418 Cb 1.01 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.99 1toz n LEU 418 CO 0.44 -0.09 0.18 0.61 -1.33 0.00 0.00 177.39 177.20 1toz n GLY 419 N 0.26 -0.00 2.77 -0.72 0.00 -1.12 -5.06 105.19 101.32 1toz n GLY 419 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1toz n GLY 419 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1toz s ALA 420 N 0.00 3.13 -0.29 4.61 0.00 0.12 -5.04 121.76 124.29 1toz s ALA 420 Ca 0.00 -3.42 0.03 0.00 0.00 0.00 0.00 51.96 48.58 1toz s ALA 420 Cb 0.02 -2.01 0.07 0.00 0.00 0.00 0.00 23.12 21.20 1toz s ALA 420 CO -0.00 -2.06 -0.06 1.21 0.00 0.00 0.00 175.76 174.85 1toz s ASN 421 N -0.96 4.54 0.21 0.00 2.47 -1.26 -3.63 114.94 116.31 1toz s ASN 421 Ca 0.26 -1.64 0.07 0.00 0.42 0.00 0.00 52.86 51.97 1toz s ASN 421 Cb -0.04 -1.56 0.13 0.00 -1.45 0.00 0.00 41.25 38.32 1toz s ASN 421 CO -0.16 -0.25 1.47 1.55 -3.72 0.00 0.00 177.10 175.99 1toz h PRO 422 N 7.73 0.07 0.00 0.43 0.13 -1.97 -2.98 132.00 135.41 1toz h PRO 422 Ca -0.14 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1toz h PRO 422 Cb 1.03 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1toz h PRO 422 CO 0.48 0.80 0.55 0.00 -0.23 0.00 0.00 178.00 179.60 1toz n GLU 424 N -2.72 0.00 -2.19 0.00 -0.58 -1.13 -1.94 120.64 112.08 1toz n GLU 424 Ca -0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.67 1toz n GLU 424 Cb 0.58 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.50 1toz n GLU 424 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1toz n HIS 425 N 0.00 1.40 -2.91 -0.32 1.44 -1.26 -4.95 115.22 108.62 1toz n HIS 425 Ca 0.00 -1.86 0.04 0.00 -2.01 0.00 0.00 57.72 53.88 1toz n HIS 425 Cb 0.00 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 29.86 1toz n HIS 425 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1toz s ALA 426 N -3.13 -4.59 0.00 1.59 0.00 -0.82 -5.06 121.76 109.75 1toz s ALA 426 Ca 0.36 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1toz s ALA 426 Cb 0.36 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1toz s ALA 426 CO -0.04 -2.36 0.00 0.41 0.00 0.00 0.00 175.76 173.77 1toz n GLY 427 N 4.26 1.75 3.59 0.00 0.00 -1.26 -3.88 105.19 109.64 1toz n GLY 427 Ca 0.07 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 1toz n GLY 427 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1toz s LYS 428 N -1.96 3.90 -0.32 1.61 2.36 -0.93 -4.92 119.74 119.48 1toz s LYS 428 Ca 0.00 -0.38 -0.07 0.00 -2.55 0.00 0.00 55.97 52.98 1toz s LYS 428 Cb 0.00 -3.25 0.03 0.00 -1.05 0.00 0.00 37.83 33.55 1toz s LYS 428 CO 0.00 0.15 0.10 0.00 1.55 0.00 0.00 175.35 177.15 1toz s ILE 430 N 1.44 2.34 -0.11 0.00 -0.00 0.94 -4.87 121.20 120.95 1toz s ILE 430 Ca 0.00 -1.65 -0.02 0.00 -0.00 0.00 0.00 60.65 58.98 1toz s ILE 430 Cb -0.19 -2.99 -0.03 0.00 -0.00 0.00 0.00 42.46 39.25 1toz s ILE 430 CO 0.03 0.00 -0.02 0.21 -0.00 0.00 0.00 174.94 175.15 1toz s ASN 431 N -3.94 4.98 0.24 4.36 2.47 -1.26 -1.22 114.94 120.58 1toz s ASN 431 Ca 0.42 0.02 0.06 0.00 0.42 0.00 0.00 52.86 53.78 1toz s ASN 431 Cb 0.03 -1.51 -0.05 0.00 -1.45 0.00 0.00 41.25 38.26 1toz s ASN 431 CO 0.23 0.30 -0.06 0.42 -3.72 0.00 0.00 177.10 174.27 1toz s THR 432 N -0.44 1.46 -0.05 -5.21 -4.23 -0.19 -4.66 115.64 102.33 1toz s THR 432 Ca 0.07 -2.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.17 1toz s THR 432 Cb -0.12 -2.31 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 1toz s THR 432 CO 0.02 -0.39 1.43 -0.76 -0.54 0.00 0.00 174.62 174.38 1toz s LEU 433 N -3.37 4.29 0.00 4.79 1.43 -1.26 -3.20 118.68 121.36 1toz s LEU 433 Ca 0.27 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1toz s LEU 433 Cb 0.03 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1toz s LEU 433 CO 0.09 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.51 1toz n GLY 434 N 3.75 1.45 3.35 -3.19 0.00 -1.26 -4.86 105.19 104.42 1toz n GLY 434 Ca 0.14 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1toz n GLY 434 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1toz s SER 435 N 0.00 1.56 -0.02 1.61 0.15 -1.19 -4.95 113.70 110.86 1toz s SER 435 Ca 0.00 -1.35 -0.00 0.00 0.70 0.00 0.00 55.95 55.30 1toz s SER 435 Cb 0.00 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1toz s SER 435 CO 0.00 -0.66 0.06 0.72 1.20 0.00 0.00 173.24 174.56 1toz s PHE 436 N -3.60 3.25 -0.00 3.44 -0.12 -1.26 -1.02 117.98 118.67 1toz s PHE 436 Ca 0.36 0.20 0.01 0.00 -0.05 0.00 0.00 56.93 57.45 1toz s PHE 436 Cb 0.08 -1.74 -0.04 0.00 -0.63 0.00 0.00 43.02 40.69 1toz s PHE 436 CO 0.13 0.53 0.00 -2.00 -0.05 0.00 0.00 175.22 173.84 1toz s GLU 437 N -1.59 2.79 -0.07 1.99 2.12 -0.36 -4.78 118.70 118.79 1toz s GLU 437 Ca 0.21 -0.61 -0.03 0.00 0.36 0.00 0.00 54.97 54.90 1toz s GLU 437 Cb -0.12 -2.67 0.04 0.00 0.26 0.00 0.00 34.13 31.64 1toz s GLU 437 CO 0.12 0.62 0.15 0.00 -0.54 0.00 0.00 175.26 175.62 1toz s GLN 439 N 1.68 3.78 0.40 0.00 -0.21 0.81 -4.18 119.66 121.94 1toz s GLN 439 Ca -0.04 0.68 -0.09 0.00 0.02 0.00 0.00 55.36 55.93 1toz s GLN 439 Cb -0.12 -2.23 -0.06 0.00 1.00 0.00 0.00 33.01 31.61 1toz s GLN 439 CO -0.06 -0.26 0.75 0.00 -2.12 0.00 0.00 175.29 173.60 1toz s LEU 441 N -3.92 2.44 0.00 0.00 1.98 -1.25 -4.68 118.68 113.24 1toz s LEU 441 Ca 0.50 -0.38 0.00 0.00 -2.89 0.00 0.00 54.13 51.36 1toz s LEU 441 Cb -0.10 -1.50 0.00 0.00 0.66 0.00 0.00 46.19 45.25 1toz s LEU 441 CO 0.33 0.23 0.00 0.00 -1.89 0.00 0.00 176.35 175.02 1toz n GLN 442 N 3.05 0.00 -3.42 1.98 6.02 -1.26 -2.30 117.38 121.44 1toz n GLN 442 Ca -0.18 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.55 1toz n GLN 442 Cb 0.52 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.70 1toz n GLN 442 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1toz n GLY 443 N 0.00 3.49 3.92 1.08 0.00 -1.21 -5.05 105.19 107.42 1toz n GLY 443 Ca 0.00 -2.05 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 1toz n GLY 443 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1toz s TYR 444 N -1.37 3.20 0.00 1.61 1.51 -0.97 -4.44 117.35 116.89 1toz s TYR 444 Ca 0.34 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 1toz s TYR 444 Cb 0.10 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1toz s TYR 444 CO -0.11 0.30 0.00 -2.37 -1.11 0.00 0.00 175.55 172.27 1toz n THR 445 N -1.41 0.00 -0.07 -0.71 5.66 2.69 -4.85 114.28 115.59 1toz n THR 445 Ca -0.05 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.95 1toz n THR 445 Cb 0.58 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1toz n THR 445 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1toz n GLY 446 N 5.00 -2.71 0.21 1.09 0.00 -1.23 -2.11 105.19 105.45 1toz n GLY 446 Ca 0.00 -1.39 0.10 0.00 0.00 0.00 0.00 46.02 44.73 1toz n GLY 446 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1toz h PRO 447 N -0.05 0.00 -0.00 1.61 0.13 -1.97 -3.12 132.00 128.59 1toz h PRO 447 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1toz h PRO 447 Cb 0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1toz h PRO 447 CO 0.00 0.19 -0.23 0.54 -0.23 0.00 0.00 178.00 178.28 1toz n ARG 448 N -3.24 2.83 -1.01 0.86 5.12 -1.26 -5.00 116.66 114.97 1toz n ARG 448 Ca 0.01 -0.39 0.00 0.00 -1.93 0.00 0.00 57.85 55.55 1toz n ARG 448 Cb 0.50 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 30.81 1toz n ARG 448 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1toz n GLU 450 N -0.78 0.00 -4.13 0.00 -0.00 -0.90 0.19 120.64 115.03 1toz n GLU 450 Ca 0.00 -0.22 -0.32 0.00 -0.00 0.00 0.00 57.16 56.62 1toz n GLU 450 Cb 0.30 -0.34 -0.07 0.00 -0.00 0.00 0.00 31.44 31.33 1toz n GLU 450 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1toz s ILE 451 N 0.00 4.45 -0.27 3.84 1.09 -1.11 -0.96 121.20 128.24 1toz s ILE 451 Ca 0.00 -0.64 -0.11 0.00 -1.10 0.00 0.00 60.65 58.80 1toz s ILE 451 Cb 0.00 -3.07 -0.05 0.00 -1.06 0.00 0.00 42.46 38.28 1toz s ILE 451 CO 0.00 0.25 0.18 -0.62 -0.10 0.00 0.00 174.94 174.66 1toz s ASP 452 N -1.98 6.03 0.43 3.58 -1.08 -1.26 0.62 116.67 123.01 1toz s ASP 452 Ca 0.25 0.01 0.06 0.00 -0.52 0.00 0.00 52.55 52.35 1toz s ASP 452 Cb -0.12 -2.12 0.01 0.00 -1.46 0.00 0.00 42.92 39.24 1toz s ASP 452 CO 0.16 -0.03 0.60 0.54 0.52 0.00 0.00 175.17 176.96 1toz s VAL 453 N 1.62 3.13 -0.51 1.11 0.11 -1.26 -4.77 120.40 119.83 1toz s VAL 453 Ca 0.07 -0.92 -0.15 0.00 -2.93 0.00 0.00 61.98 58.05 1toz s VAL 453 Cb -0.16 -3.08 0.11 0.00 -1.53 0.00 0.00 36.38 31.73 1toz s VAL 453 CO 0.10 -0.03 0.45 0.21 -3.33 0.00 0.00 175.10 172.49 1toz s ASN 454 N -4.33 6.11 0.02 3.54 3.84 -1.26 -4.82 114.94 118.03 1toz s ASN 454 Ca 0.54 -1.66 0.28 0.00 0.21 0.00 0.00 52.86 52.23 1toz s ASN 454 Cb -0.10 -2.18 1.02 0.00 -0.55 0.00 0.00 41.25 39.45 1toz s ASN 454 CO 0.34 -0.77 1.79 -1.84 -2.79 0.00 0.00 177.10 173.83 1toz n GLU 455 N 5.19 0.03 -0.48 0.43 0.00 -1.26 -2.79 120.64 121.76 1toz n GLU 455 Ca -0.13 0.02 0.09 0.00 0.00 0.00 0.00 57.16 57.14 1toz n GLU 455 Cb 0.41 -1.53 0.31 0.00 0.00 0.00 0.00 31.44 30.64 1toz n GLU 455 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1toz h VAL 457 N 3.77 0.11 -0.38 0.00 2.07 -1.94 -3.13 116.25 116.75 1toz h VAL 457 Ca 0.00 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1toz h VAL 457 Cb 1.17 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1toz h VAL 457 CO 0.13 0.04 0.00 -1.20 0.02 0.00 0.00 177.57 176.56 1toz n SER 458 N -4.68 2.54 -2.69 0.57 7.64 -1.26 -4.04 113.62 111.70 1toz n SER 458 Ca -0.05 -1.92 -0.07 0.00 1.01 0.00 0.00 58.87 57.84 1toz n SER 458 Cb 0.18 -0.25 0.04 0.00 -1.01 0.00 0.00 64.21 63.17 1toz n SER 458 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1toz n ASN 459 N 0.89 1.08 0.00 6.43 3.02 -1.22 -4.88 115.26 120.57 1toz n ASN 459 Ca 0.17 -2.57 0.12 0.00 -0.03 0.00 0.00 54.58 52.26 1toz n ASN 459 Cb 0.43 -0.35 0.70 0.00 -0.61 0.00 0.00 39.78 39.95 1toz n ASN 459 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1toz n PRO 460 N -0.22 0.70 -1.36 3.52 -0.04 -1.18 -4.57 135.00 131.86 1toz n PRO 460 Ca 0.07 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1toz n PRO 460 Cb 0.82 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1toz n PRO 460 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1toz n GLN 462 N -2.64 0.00 -0.11 0.00 7.27 -1.26 -4.30 117.38 116.34 1toz n GLN 462 Ca -0.08 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.87 1toz n GLN 462 Cb 0.31 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.93 1toz n GLN 462 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1toz h ASN 463 N 0.00 0.63 0.00 1.69 2.35 -1.90 -3.27 115.58 115.08 1toz h ASN 463 Ca 0.00 -0.38 -0.37 0.00 -0.55 0.00 0.00 56.30 55.00 1toz h ASN 463 Cb 0.00 -0.17 0.02 0.00 0.05 0.00 0.00 38.32 38.22 1toz h ASN 463 CO 0.00 0.86 2.47 -0.67 -1.65 0.00 0.00 177.43 178.44 1toz n ASP 464 N -4.44 4.36 0.00 5.81 -0.08 -1.26 -4.37 116.55 116.57 1toz n ASP 464 Ca -0.03 -2.33 0.00 0.00 -1.51 0.00 0.00 54.79 50.92 1toz n ASP 464 Cb 0.34 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 42.75 1toz n ASP 464 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1toz n ALA 465 N 4.56 0.00 -2.37 -1.67 0.00 -1.23 -4.46 120.51 115.33 1toz n ALA 465 Ca 0.42 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1toz n ALA 465 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.57 1toz n ALA 465 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1toz s THR 466 N 0.00 3.84 0.49 0.00 2.01 -1.23 -4.63 115.64 116.13 1toz s THR 466 Ca 0.00 0.79 -0.22 0.00 0.31 0.00 0.00 61.69 62.57 1toz s THR 466 Cb 0.00 -4.33 -0.07 0.00 0.01 0.00 0.00 72.50 68.11 1toz s THR 466 CO 0.00 -0.98 1.18 0.00 -0.69 0.00 0.00 174.62 174.13 1toz s LEU 468 N -3.30 1.29 -0.01 0.00 1.43 -0.53 -4.86 118.68 112.70 1toz s LEU 468 Ca 0.67 -2.25 -0.30 0.00 -1.03 0.00 0.00 54.13 51.22 1toz s LEU 468 Cb -0.29 -0.51 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 1toz s LEU 468 CO 0.34 -0.30 1.75 -0.62 0.23 0.00 0.00 176.35 177.75 1toz s ASP 469 N 0.96 6.59 0.43 2.29 3.68 -1.26 -1.05 116.67 128.31 1toz s ASP 469 Ca 0.18 2.40 0.01 0.00 2.13 0.00 0.00 52.55 57.27 1toz s ASP 469 Cb -0.23 -2.54 -0.01 0.00 -1.45 0.00 0.00 42.92 38.70 1toz s ASP 469 CO 0.00 -0.96 0.05 0.00 0.13 0.00 0.00 175.17 174.40 1toz n GLN 470 N 7.02 0.77 -1.68 4.34 6.02 0.12 -4.97 117.38 129.00 1toz n GLN 470 Ca 0.18 -3.33 -0.46 0.00 -0.01 0.00 0.00 57.00 53.37 1toz n GLN 470 Cb 0.42 1.23 -0.04 0.00 1.02 0.00 0.00 30.24 32.87 1toz n GLN 470 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1toz n ILE 471 N -1.05 0.63 -3.70 5.09 -6.64 -1.26 -1.97 119.36 110.46 1toz n ILE 471 Ca -0.14 -0.11 -0.30 0.00 -1.77 0.00 0.00 62.75 60.43 1toz n ILE 471 Cb 0.58 -2.00 -0.06 0.00 -1.44 0.00 0.00 39.64 36.72 1toz n ILE 471 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1toz n GLY 472 N 4.44 -0.27 3.69 3.28 0.00 -1.26 -4.79 105.19 110.28 1toz n GLY 472 Ca 0.22 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 1toz n GLY 472 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1toz s GLU 473 N -5.54 1.21 0.05 1.61 4.04 -0.83 -3.34 118.70 115.89 1toz s GLU 473 Ca 0.54 -0.62 -0.02 0.00 0.04 0.00 0.00 54.97 54.91 1toz s GLU 473 Cb -0.32 0.45 -0.03 0.00 0.02 0.00 0.00 34.13 34.25 1toz s GLU 473 CO 0.74 -0.55 0.01 -0.59 -1.84 0.00 0.00 175.26 173.02 1toz s PHE 474 N -3.38 0.45 0.35 4.83 -0.12 -1.26 0.13 117.98 118.98 1toz s PHE 474 Ca 0.10 -0.97 0.04 0.00 -0.05 0.00 0.00 56.93 56.05 1toz s PHE 474 Cb -0.02 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.01 1toz s PHE 474 CO -0.01 -0.40 0.15 -0.65 -0.05 0.00 0.00 175.22 174.27 1toz s GLN 475 N -3.81 1.76 -0.30 1.99 -1.52 -0.22 -4.90 119.66 112.67 1toz s GLN 475 Ca 0.06 -2.04 -0.16 0.00 -1.95 0.00 0.00 55.36 51.27 1toz s GLN 475 Cb 0.07 -0.32 0.18 0.00 -0.22 0.00 0.00 33.01 32.72 1toz s GLN 475 CO -0.10 -0.47 1.18 0.00 -0.25 0.00 0.00 175.29 175.66 1toz s ILE 477 N 2.99 3.33 0.19 0.00 -1.09 -0.96 -4.81 121.20 120.85 1toz s ILE 477 Ca 0.06 0.45 0.08 0.00 -2.23 0.00 0.00 60.65 59.01 1toz s ILE 477 Cb -0.05 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 1toz s ILE 477 CO -0.13 -0.55 -0.01 0.00 -1.23 0.00 0.00 174.94 173.02 1toz s MET 479 N -3.07 3.53 -1.11 0.00 -1.94 -1.26 -4.99 119.30 110.45 1toz s MET 479 Ca 0.28 -0.24 -0.17 0.00 -1.71 0.00 0.00 55.69 53.84 1toz s MET 479 Cb -0.09 -2.99 -0.06 0.00 2.01 0.00 0.00 34.83 33.70 1toz s MET 479 CO 0.18 0.57 2.10 -0.35 -0.01 0.00 0.00 175.02 177.52 1toz n PRO 480 N 0.43 2.20 0.00 2.03 -0.04 -1.26 -2.62 135.00 135.74 1toz n PRO 480 Ca -0.06 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 1toz n PRO 480 Cb 0.52 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 1toz n PRO 480 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1toz n GLY 481 N 4.27 0.00 3.78 0.55 0.00 -1.26 -5.15 105.19 107.38 1toz n GLY 481 Ca 0.51 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.29 1toz n GLY 481 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1toz s TYR 482 N -0.57 2.52 0.30 1.61 2.02 -1.08 -4.05 117.35 118.09 1toz s TYR 482 Ca 0.00 -0.61 -0.03 0.00 -0.37 0.00 0.00 57.07 56.06 1toz s TYR 482 Cb 0.00 -1.98 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 1toz s TYR 482 CO 0.00 0.08 0.45 -1.91 -1.57 0.00 0.00 175.55 172.60 1toz n GLU 483 N -1.34 0.65 0.00 -0.62 4.07 0.17 -4.54 120.64 119.03 1toz n GLU 483 Ca -0.01 -2.22 0.00 0.00 -0.06 0.00 0.00 57.16 54.87 1toz n GLU 483 Cb 0.64 2.23 0.00 0.00 -0.06 0.00 0.00 31.44 34.25 1toz n GLU 483 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1toz n GLY 484 N -0.47 -2.59 0.21 8.31 0.00 -1.26 0.92 105.19 110.31 1toz n GLY 484 Ca -0.01 -2.16 0.11 0.00 0.00 0.00 0.00 46.02 43.96 1toz n GLY 484 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1toz h VAL 485 N 0.00 0.12 -0.51 1.61 3.04 -1.99 -2.97 116.25 115.55 1toz h VAL 485 Ca 0.00 -1.14 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 1toz h VAL 485 Cb 0.00 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1toz h VAL 485 CO 0.00 0.06 0.00 1.41 -1.01 0.00 0.00 177.57 178.03 1toz n HIS 486 N -3.12 0.67 -2.86 3.17 8.25 -1.26 -4.82 115.22 115.26 1toz n HIS 486 Ca 0.04 -0.44 -0.10 0.00 -0.26 0.00 0.00 57.72 56.96 1toz n HIS 486 Cb 0.55 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.63 1toz n HIS 486 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1toz n GLU 488 N -2.88 1.43 -2.93 0.00 -0.00 -1.10 -4.51 120.64 110.66 1toz n GLU 488 Ca -0.01 -1.00 -0.43 0.00 -0.00 0.00 0.00 57.16 55.72 1toz n GLU 488 Cb 0.51 -0.87 -0.04 0.00 -0.00 0.00 0.00 31.44 31.04 1toz n GLU 488 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1toz s VAL 489 N -0.54 4.48 -0.83 3.84 1.01 0.26 -4.82 120.40 123.80 1toz s VAL 489 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 1toz s VAL 489 Cb 0.00 -4.56 -0.10 0.00 0.00 0.00 0.00 36.38 31.72 1toz s VAL 489 CO 0.00 -1.21 2.22 0.54 0.00 0.00 0.00 175.10 176.65 1toz s ASN 490 N 3.25 4.41 0.33 3.32 2.20 -1.26 0.44 114.94 127.63 1toz s ASN 490 Ca 0.22 -0.23 0.00 0.00 -0.94 0.00 0.00 52.86 51.91 1toz s ASN 490 Cb -0.17 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.53 1toz s ASN 490 CO 0.13 -3.41 0.00 1.07 -2.94 0.00 0.00 177.10 171.95 1toz n THR 491 N 8.41 -0.19 -1.08 0.54 5.66 -1.26 -4.89 114.28 121.47 1toz n THR 491 Ca 0.44 0.40 -0.06 0.00 -3.05 0.00 0.00 64.05 61.77 1toz n THR 491 Cb 0.45 -0.69 0.04 0.00 -1.55 0.00 0.00 70.33 68.58 1toz n THR 491 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1toz n ASP 492 N -4.10 -0.22 -2.38 1.09 5.75 -1.26 -4.92 116.55 110.52 1toz n ASP 492 Ca -0.04 -1.01 -0.02 0.00 -0.01 0.00 0.00 54.79 53.71 1toz n ASP 492 Cb 0.55 -0.20 0.08 0.00 -1.03 0.00 0.00 41.12 40.52 1toz n ASP 492 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1toz n GLU 493 N -1.68 1.15 -2.66 0.11 4.71 -1.26 -4.94 120.64 116.07 1toz n GLU 493 Ca 0.03 -1.52 -0.05 0.00 -0.01 0.00 0.00 57.16 55.61 1toz n GLU 493 Cb 0.12 0.15 0.07 0.00 -1.01 0.00 0.00 31.44 30.76 1toz n GLU 493 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1toz h ALA 495 N 1.60 0.29 -0.43 0.00 0.00 -2.03 -3.19 119.26 115.50 1toz h ALA 495 Ca -0.40 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 53.76 1toz h ALA 495 Cb 1.27 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1toz h ALA 495 CO -0.13 0.70 0.06 0.43 0.00 0.00 0.00 179.25 180.32 1toz n SER 496 N -3.89 3.73 -3.43 0.00 7.64 -1.26 -4.77 113.62 111.65 1toz n SER 496 Ca -0.08 -3.30 -0.27 0.00 1.01 0.00 0.00 58.87 56.23 1toz n SER 496 Cb 0.79 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 63.25 1toz n SER 496 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1toz s SER 497 N -1.86 2.37 0.16 6.43 0.01 -1.20 -4.95 113.70 114.65 1toz s SER 497 Ca 0.47 -2.34 0.24 0.00 1.31 0.00 0.00 55.95 55.63 1toz s SER 497 Cb 0.39 -0.29 0.91 0.00 0.21 0.00 0.00 66.02 67.24 1toz s SER 497 CO 0.08 -0.27 1.73 -0.81 0.41 0.00 0.00 173.24 174.38 1toz n PRO 498 N 3.76 0.15 0.00 12.44 -0.04 -1.26 -4.74 135.00 145.31 1toz n PRO 498 Ca 0.16 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1toz n PRO 498 Cb 0.41 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1toz n PRO 498 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1toz n LEU 500 N 0.00 0.00 0.00 0.00 -0.00 -1.25 -3.30 117.00 112.46 1toz n LEU 500 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.08 1toz n LEU 500 Cb 0.00 0.00 0.38 0.00 -0.00 0.00 0.00 43.42 43.80 1toz n LEU 500 CO 0.00 -0.01 0.69 1.41 -0.00 0.00 0.00 177.39 179.48 1toz n HIS 501 N 0.00 0.00 0.50 1.96 8.25 -1.26 -1.73 115.22 122.95 1toz n HIS 501 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1toz n HIS 501 Cb 0.00 -0.24 0.46 0.00 1.12 0.00 0.00 29.99 31.32 1toz n HIS 501 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1toz n ASN 502 N -1.24 0.58 0.00 0.41 4.13 -1.21 -4.71 115.26 113.21 1toz n ASN 502 Ca 0.07 0.61 0.00 0.00 1.68 0.00 0.00 54.58 56.95 1toz n ASN 502 Cb 0.11 -0.75 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 1toz n ASN 502 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1toz n GLY 503 N 0.41 -0.59 3.19 7.41 0.00 -0.70 -4.24 105.19 110.67 1toz n GLY 503 Ca 0.03 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 1toz n GLY 503 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1toz s ARG 504 N -2.00 1.34 -0.21 1.61 1.81 -0.95 -3.77 118.95 116.78 1toz s ARG 504 Ca 0.00 -0.76 -0.23 0.00 -1.72 0.00 0.00 55.73 53.03 1toz s ARG 504 Cb 0.00 -1.35 -0.02 0.00 -0.45 0.00 0.00 34.95 33.13 1toz s ARG 504 CO 0.00 0.36 0.72 0.00 -0.68 0.00 0.00 175.30 175.70 1toz s LEU 506 N 2.29 4.27 -0.88 0.00 1.43 0.37 -4.93 118.68 121.24 1toz s LEU 506 Ca 0.32 0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 53.84 1toz s LEU 506 Cb -0.16 -2.44 0.16 0.00 0.03 0.00 0.00 46.19 43.79 1toz s LEU 506 CO 0.10 0.11 0.97 -0.62 0.23 0.00 0.00 176.35 177.14 1toz s ASP 507 N 0.32 6.66 0.11 2.29 3.68 -1.26 -2.43 116.67 126.05 1toz s ASP 507 Ca 0.19 -2.26 -0.08 0.00 2.13 0.00 0.00 52.55 52.52 1toz s ASP 507 Cb -0.14 -2.32 -0.06 0.00 -1.45 0.00 0.00 42.92 38.95 1toz s ASP 507 CO 0.06 -0.88 0.40 -0.54 0.13 0.00 0.00 175.17 174.34 1toz s LYS 508 N 1.73 3.71 -0.50 4.34 1.02 -0.84 -4.97 119.74 124.23 1toz s LYS 508 Ca 0.26 0.09 -0.07 0.00 0.02 0.00 0.00 55.97 56.27 1toz s LYS 508 Cb -0.08 -2.91 -0.21 0.00 -0.52 0.00 0.00 37.83 34.12 1toz s LYS 508 CO -0.09 0.51 3.40 -0.89 -0.92 0.00 0.00 175.35 177.36 1toz n ILE 509 N 0.53 3.42 0.00 2.17 -0.00 -1.26 -3.02 119.36 121.20 1toz n ILE 509 Ca -0.05 -1.88 0.00 0.00 -0.00 0.00 0.00 62.75 60.82 1toz n ILE 509 Cb 0.52 -2.17 0.00 0.00 -0.00 0.00 0.00 39.64 37.99 1toz n ILE 509 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1toz n ASN 510 N 2.77 0.00 -0.76 4.38 2.85 -1.26 -4.90 115.26 118.34 1toz n ASN 510 Ca 0.54 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.01 1toz n ASN 510 Cb 0.70 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.73 1toz n ASN 510 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1toz n GLU 511 N -0.87 0.00 -4.79 1.20 2.13 -1.17 -5.17 120.64 111.96 1toz n GLU 511 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1toz n GLU 511 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 1toz n GLU 511 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1toz s PHE 512 N -6.97 2.39 -0.12 4.31 5.36 -1.26 -1.99 117.98 119.69 1toz s PHE 512 Ca 0.00 -0.37 -0.02 0.00 -0.96 0.00 0.00 56.93 55.59 1toz s PHE 512 Cb 0.00 -1.40 0.04 0.00 -0.34 0.00 0.00 43.02 41.32 1toz s PHE 512 CO 0.00 0.18 0.00 -1.14 -1.46 0.00 0.00 175.22 172.80 1toz s GLN 513 N -1.36 0.74 -1.28 10.12 2.00 -1.02 -4.94 119.66 123.92 1toz s GLN 513 Ca 0.13 -0.14 -0.12 0.00 -2.00 0.00 0.00 55.36 53.23 1toz s GLN 513 Cb -0.10 -1.48 0.15 0.00 0.80 0.00 0.00 33.01 32.38 1toz s GLN 513 CO 0.03 -0.42 1.79 0.00 -0.50 0.00 0.00 175.29 176.19 1toz n GLU 515 N 4.84 -0.67 -3.70 0.00 -0.00 0.13 -4.55 120.64 116.69 1toz n GLU 515 Ca 0.41 -0.19 -0.37 0.00 -0.00 0.00 0.00 57.16 57.00 1toz n GLU 515 Cb 0.39 -1.28 -0.06 0.00 -0.00 0.00 0.00 31.44 30.48 1toz n GLU 515 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1toz n PRO 517 N 1.90 -1.61 0.00 0.00 -0.04 -1.26 -4.77 135.00 129.23 1toz n PRO 517 Ca -0.17 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1toz n PRO 517 Cb 0.54 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 1toz n PRO 517 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1toz n THR 518 N -3.61 0.00 -0.55 0.52 5.66 -1.26 -4.48 114.28 110.56 1toz n THR 518 Ca 0.10 0.00 0.43 0.00 -3.05 0.00 0.00 64.05 61.53 1toz n THR 518 Cb 0.38 -0.43 0.67 0.00 -1.55 0.00 0.00 70.33 69.40 1toz n THR 518 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1toz n GLY 519 N 2.15 -0.81 0.17 1.09 0.00 -1.25 -0.35 105.19 106.19 1toz n GLY 519 Ca 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 46.02 46.58 1toz n GLY 519 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1toz h PHE 520 N 0.00 -0.70 -0.01 1.61 0.04 -1.86 -2.08 116.94 113.94 1toz h PHE 520 Ca 0.79 0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.60 1toz h PHE 520 Cb 3.01 0.34 0.00 0.00 2.20 0.00 0.00 35.95 41.49 1toz h PHE 520 CO -0.00 -0.17 -0.48 -2.37 -0.60 0.00 0.00 178.31 174.69 1toz n THR 521 N -3.80 0.00 0.00 -1.55 5.66 0.02 -5.00 114.28 109.60 1toz n THR 521 Ca -0.00 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1toz n THR 521 Cb 0.12 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 69.66 1toz n THR 521 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1toz n GLY 522 N 1.41 2.12 2.27 1.09 0.00 0.53 -4.75 105.19 107.86 1toz n GLY 522 Ca 0.09 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 1toz n GLY 522 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1toz n HIS 523 N 0.00 0.79 0.00 1.61 1.44 -1.26 -3.80 115.22 114.01 1toz n HIS 523 Ca 0.00 -3.74 0.00 0.00 -2.01 0.00 0.00 57.72 51.97 1toz n HIS 523 Cb 0.00 -0.41 0.00 0.00 0.12 0.00 0.00 29.99 29.70 1toz n HIS 523 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1toz n LEU 524 N 1.10 0.00 -3.81 2.39 4.77 -1.26 -5.12 117.00 115.08 1toz n LEU 524 Ca 0.24 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.93 1toz n LEU 524 Cb 0.51 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.44 1toz n LEU 524 CO 0.24 0.00 -0.39 0.00 -1.33 0.00 0.00 177.39 175.92