#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yae n ILE 424 N 0.00 0.00 -1.73 -1.44 -6.64 -1.26 -4.88 119.36 103.41 1yae n ILE 424 Ca 0.00 0.00 -0.42 0.00 -1.77 0.00 0.00 62.75 60.56 1yae n ILE 424 Cb 0.00 1.19 -0.03 0.00 -1.44 0.00 0.00 39.64 39.36 1yae n ILE 424 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1yae s THR 425 N 0.00 2.02 0.00 7.28 2.01 -1.26 -0.57 115.64 125.12 1yae s THR 425 Ca 0.00 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1yae s THR 425 Cb 0.00 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.50 1yae s THR 425 CO 0.00 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.40 1yae n ASP 426 N 3.88 0.00 0.00 3.53 9.92 -0.35 -4.79 116.55 128.73 1yae n ASP 426 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1yae n ASP 426 Cb 0.35 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 1yae n ASP 426 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1yae n SER 427 N 0.00 0.00 -1.87 -2.24 3.41 0.26 0.13 113.62 113.32 1yae n SER 427 Ca 0.00 0.12 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 1yae n SER 427 Cb 0.00 -0.12 0.07 0.00 -0.26 0.00 0.00 64.21 63.90 1yae n SER 427 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1yae n LEU 428 N -1.04 2.38 0.00 1.04 -0.00 0.13 -5.06 117.00 114.44 1yae n LEU 428 Ca 0.00 -3.30 0.00 0.00 -0.00 0.00 0.00 56.01 52.71 1yae n LEU 428 Cb 0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1yae n LEU 428 CO 0.00 1.20 0.00 -1.20 -0.00 0.00 0.00 177.39 177.39 1yae n SER 429 N -0.42 0.00 -1.37 1.96 7.64 0.35 -2.42 113.62 119.35 1yae n SER 429 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1yae n SER 429 Cb 0.91 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1yae n SER 429 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1yae n ASN 430 N 0.00 0.00 -3.86 6.43 2.04 -1.26 -4.78 115.26 113.84 1yae n ASN 430 Ca 0.00 0.00 -0.12 0.00 -0.44 0.00 0.00 54.58 54.02 1yae n ASN 430 Cb 0.00 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.14 1yae n ASN 430 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1yae s ARG 431 N -0.90 0.31 -0.11 -3.83 1.81 -1.26 -5.12 118.95 109.85 1yae s ARG 431 Ca 0.00 -0.12 0.01 0.00 -1.72 0.00 0.00 55.73 53.90 1yae s ARG 431 Cb 0.00 0.13 0.02 0.00 -0.45 0.00 0.00 34.95 34.65 1yae s ARG 431 CO 0.00 -0.06 -0.15 -1.54 -0.68 0.00 0.00 175.30 172.87 1yae s SER 432 N -0.67 2.47 0.11 0.23 1.04 -1.26 -1.84 113.70 113.78 1yae s SER 432 Ca -0.08 -0.43 0.07 0.00 0.48 0.00 0.00 55.95 55.99 1yae s SER 432 Cb -0.05 -1.10 -0.04 0.00 0.10 0.00 0.00 66.02 64.94 1yae s SER 432 CO 0.01 0.00 -0.09 -0.76 0.98 0.00 0.00 173.24 173.38 1yae s LEU 433 N 1.06 3.08 -0.32 2.42 1.02 0.38 -4.96 118.68 121.36 1yae s LEU 433 Ca -0.05 -0.39 -0.09 0.00 0.02 0.00 0.00 54.13 53.62 1yae s LEU 433 Cb -0.15 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 44.21 1yae s LEU 433 CO -0.03 0.16 0.15 -0.63 0.02 0.00 0.00 176.35 176.02 1yae s ILE 434 N -1.30 4.48 -0.24 -0.59 -1.09 -1.26 -0.32 121.20 120.89 1yae s ILE 434 Ca 0.22 -0.54 -0.09 0.00 -2.23 0.00 0.00 60.65 58.02 1yae s ILE 434 Cb -0.11 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 1yae s ILE 434 CO 0.15 0.02 0.12 0.68 -1.23 0.00 0.00 174.94 174.68 1yae s VAL 435 N 1.58 4.89 0.16 2.92 -7.23 0.49 -0.99 120.40 122.23 1yae s VAL 435 Ca 0.04 0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 1yae s VAL 435 Cb -0.17 -3.28 -0.07 0.00 0.56 0.00 0.00 36.38 33.42 1yae s VAL 435 CO 0.06 0.34 0.52 0.42 -0.31 0.00 0.00 175.10 176.13 1yae s THR 436 N 1.28 4.92 0.34 5.32 -4.23 -0.51 0.13 115.64 122.91 1yae s THR 436 Ca 0.06 0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 61.14 1yae s THR 436 Cb -0.14 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 70.03 1yae s THR 436 CO 0.05 0.16 0.59 0.28 -0.54 0.00 0.00 174.62 175.16 1yae s THR 437 N -1.55 0.00 0.07 3.99 -1.32 -0.69 -2.46 115.64 113.68 1yae s THR 437 Ca 0.40 -1.36 0.03 0.00 -1.21 0.00 0.00 61.69 59.55 1yae s THR 437 Cb -0.14 -2.65 -0.03 0.00 -1.51 0.00 0.00 72.50 68.18 1yae s THR 437 CO 0.20 0.00 -0.10 -0.51 -2.21 0.00 0.00 174.62 172.00 1yae s ILE 438 N -2.95 0.81 -0.11 5.08 2.07 -1.26 -0.24 121.20 124.59 1yae s ILE 438 Ca 0.24 -1.42 -0.30 0.00 -1.41 0.00 0.00 60.65 57.76 1yae s ILE 438 Cb -0.02 -1.09 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 1yae s ILE 438 CO 0.16 -0.47 1.08 -0.76 -1.91 0.00 0.00 174.94 173.03 1yae s LEU 439 N -2.09 4.23 -0.30 8.50 1.43 -1.26 -4.53 118.68 124.66 1yae s LEU 439 Ca -0.00 1.60 -0.10 0.00 -1.03 0.00 0.00 54.13 54.59 1yae s LEU 439 Cb -0.06 -3.55 0.17 0.00 0.03 0.00 0.00 46.19 42.78 1yae s LEU 439 CO 0.00 -0.53 0.87 -0.70 0.23 0.00 0.00 176.35 176.22 1yae s GLU 440 N 2.30 0.36 0.27 1.70 2.56 -0.81 -4.98 118.70 120.10 1yae s GLU 440 Ca 0.50 0.74 -0.29 0.00 0.00 0.00 0.00 54.97 55.92 1yae s GLU 440 Cb -0.20 0.43 -0.09 0.00 2.00 0.00 0.00 34.13 36.27 1yae s GLU 440 CO 0.17 -0.29 1.09 -2.00 -0.56 0.00 0.00 175.26 173.67 1yae s GLU 441 N 2.78 4.65 -0.51 4.30 2.12 -1.26 0.03 118.70 130.81 1yae s GLU 441 Ca 0.04 1.79 0.02 0.00 0.36 0.00 0.00 54.97 57.18 1yae s GLU 441 Cb -0.11 -3.20 0.50 0.00 0.26 0.00 0.00 34.13 31.59 1yae s GLU 441 CO -0.16 0.22 1.79 -0.35 -0.54 0.00 0.00 175.26 176.22 1yae n PRO 442 N 1.25 2.67 -0.07 4.30 -0.04 -1.26 -4.93 135.00 136.92 1yae n PRO 442 Ca -0.01 -3.39 -0.12 0.00 -0.04 0.00 0.00 63.50 59.94 1yae n PRO 442 Cb 0.45 -2.21 -0.11 0.00 -0.04 0.00 0.00 33.50 31.59 1yae n PRO 442 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1yae h TYR 443 N 1.73 0.00 -3.49 0.54 -1.99 -0.74 -1.20 116.97 111.82 1yae h TYR 443 Ca 0.52 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.90 1yae h TYR 443 Cb 1.42 0.00 -0.34 0.00 2.00 0.00 0.00 36.73 39.82 1yae h TYR 443 CO 1.31 0.89 -0.75 0.08 -0.00 0.00 0.00 178.16 179.69 1yae s VAL 444 N -2.14 0.25 0.02 -2.88 1.01 -0.38 -1.46 120.40 114.83 1yae s VAL 444 Ca -0.17 0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1yae s VAL 444 Cb -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1yae s VAL 444 CO 0.60 0.16 -0.04 -0.76 0.00 0.00 0.00 175.10 175.06 1yae s LEU 445 N 0.98 2.24 -0.04 3.92 1.43 0.12 -1.92 118.68 125.41 1yae s LEU 445 Ca -0.10 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 1yae s LEU 445 Cb -0.14 0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.07 1yae s LEU 445 CO -0.01 -0.27 1.46 -0.36 0.23 0.00 0.00 176.35 177.40 1yae s PHE 446 N -1.39 2.59 0.35 0.29 0.08 -1.26 0.18 117.98 118.82 1yae s PHE 446 Ca -0.14 0.65 -0.29 0.00 0.12 0.00 0.00 56.93 57.27 1yae s PHE 446 Cb -0.10 -3.72 -0.11 0.00 -0.57 0.00 0.00 43.02 38.52 1yae s PHE 446 CO -0.01 -2.79 1.52 1.63 -0.10 0.00 0.00 175.22 175.47 1yae n LYS 447 N 6.05 2.67 -2.17 0.44 5.02 0.47 -4.78 118.16 125.86 1yae n LYS 447 Ca 0.14 0.94 -0.38 0.00 -2.02 0.00 0.00 58.31 56.99 1yae n LYS 447 Cb 0.43 -2.68 -0.01 0.00 -0.02 0.00 0.00 35.03 32.76 1yae n LYS 447 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1yae s LYS 448 N -1.57 3.83 -0.27 1.97 -2.85 -1.26 -5.00 119.74 114.60 1yae s LYS 448 Ca 0.57 1.93 -0.38 0.00 -1.00 0.00 0.00 55.97 57.09 1yae s LYS 448 Cb -0.49 -2.56 0.16 0.00 -2.06 0.00 0.00 37.83 32.89 1yae s LYS 448 CO 0.59 -0.54 1.40 0.45 0.10 0.00 0.00 175.35 177.35 1yae s SER 449 N -1.10 -0.00 -0.00 0.03 0.15 -1.26 -5.03 113.70 106.49 1yae s SER 449 Ca 0.61 -0.00 0.07 0.00 0.70 0.00 0.00 55.95 57.33 1yae s SER 449 Cb -0.33 0.00 -0.08 0.00 -1.71 0.00 0.00 66.02 63.91 1yae s SER 449 CO 0.41 -0.01 0.28 -0.67 1.20 0.00 0.00 173.24 174.45 1yae n ASP 450 N -0.08 0.70 -4.42 5.45 -0.08 -1.26 -4.95 116.55 111.91 1yae n ASP 450 Ca 0.03 -0.58 -0.30 0.00 -1.51 0.00 0.00 54.79 52.43 1yae n ASP 450 Cb 0.57 1.04 -0.13 0.00 2.34 0.00 0.00 41.12 44.95 1yae n ASP 450 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1yae s LYS 451 N -1.76 1.69 0.28 -0.67 3.01 -1.26 -5.12 119.74 115.90 1yae s LYS 451 Ca 0.02 -1.20 -0.30 0.00 -1.01 0.00 0.00 55.97 53.48 1yae s LYS 451 Cb 0.05 -2.02 -0.11 0.00 -1.01 0.00 0.00 37.83 34.74 1yae s LYS 451 CO 0.29 0.48 1.59 -1.25 0.51 0.00 0.00 175.35 176.98 1yae s PRO 452 N -1.84 4.14 -0.03 -1.68 0.04 -1.26 -5.04 135.00 129.33 1yae s PRO 452 Ca 0.15 2.55 0.04 0.00 0.04 0.00 0.00 61.00 63.78 1yae s PRO 452 Cb -0.10 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1yae s PRO 452 CO 0.06 -0.63 -0.12 -0.51 0.04 0.00 0.00 177.00 175.84 1yae s LEU 453 N -0.28 2.86 0.04 -3.56 1.43 -1.26 -5.13 118.68 112.78 1yae s LEU 453 Ca 0.64 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1yae s LEU 453 Cb -0.47 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1yae s LEU 453 CO 0.45 0.32 -0.00 -0.47 0.23 0.00 0.00 176.35 176.88 1yae s TYR 454 N -0.82 3.03 0.00 0.29 6.14 -1.26 -4.54 117.35 120.18 1yae s TYR 454 Ca 0.13 0.03 0.00 0.00 0.64 0.00 0.00 57.07 57.87 1yae s TYR 454 Cb -0.11 -1.61 0.00 0.00 0.42 0.00 0.00 41.96 40.66 1yae s TYR 454 CO 0.03 0.46 0.00 0.41 0.64 0.00 0.00 175.55 177.09 1yae n GLY 455 N 1.06 1.30 0.42 8.97 0.00 -1.26 -2.41 105.19 113.28 1yae n GLY 455 Ca -0.13 -0.65 0.24 0.00 0.00 0.00 0.00 46.02 45.48 1yae n GLY 455 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1yae h ASN 456 N 9.13 0.37 0.00 1.61 2.35 -1.89 -0.80 115.58 126.34 1yae h ASN 456 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1yae h ASN 456 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1yae h ASN 456 CO 0.00 0.09 0.04 -0.67 -1.65 0.00 0.00 177.43 175.24 1yae n ASP 457 N -4.54 0.00 -0.18 5.81 -0.08 -1.01 -1.46 116.55 115.09 1yae n ASP 457 Ca 0.24 0.36 -0.01 0.00 -1.51 0.00 0.00 54.79 53.87 1yae n ASP 457 Cb 0.89 -0.36 0.23 0.00 2.34 0.00 0.00 41.12 44.22 1yae n ASP 457 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1yae h ARG 458 N 0.00 0.92 -6.38 -0.67 3.08 -1.25 -3.43 114.38 106.65 1yae h ARG 458 Ca 0.00 -0.10 -0.67 0.00 0.07 0.00 0.00 59.98 59.27 1yae h ARG 458 Cb 0.09 -0.18 -0.18 0.00 0.08 0.00 0.00 29.97 29.78 1yae h ARG 458 CO 0.00 0.69 -0.73 -0.06 -1.07 0.00 0.00 179.97 178.80 1yae s PHE 459 N -5.59 2.81 0.24 3.04 0.08 -0.54 -0.39 117.98 117.63 1yae s PHE 459 Ca -0.10 -0.10 0.11 0.00 0.12 0.00 0.00 56.93 56.96 1yae s PHE 459 Cb 0.17 -1.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.01 1yae s PHE 459 CO 0.79 0.36 -0.14 -1.21 -0.10 0.00 0.00 175.22 174.91 1yae s GLU 460 N -1.53 1.86 0.00 0.44 2.02 0.13 -4.76 118.70 116.86 1yae s GLU 460 Ca 0.17 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1yae s GLU 460 Cb -0.11 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1yae s GLU 460 CO 0.08 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.14 1yae n GLY 461 N -0.40 2.85 0.34 -1.39 0.00 -1.26 0.13 105.19 105.46 1yae n GLY 461 Ca -0.08 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 1yae n GLY 461 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1yae h TYR 462 N 0.00 -0.91 0.00 1.61 5.03 -0.59 -1.26 116.97 120.85 1yae h TYR 462 Ca 0.00 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.32 1yae h TYR 462 Cb 0.00 0.45 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 1yae h TYR 462 CO 0.00 -0.39 -0.19 0.00 -1.32 0.00 0.00 178.16 176.26 1yae h ILE 464 N 0.00 1.20 -0.19 0.00 5.03 -1.36 -0.36 117.51 121.83 1yae h ILE 464 Ca -0.00 -0.61 -0.14 0.00 -0.12 0.00 0.00 64.86 64.00 1yae h ILE 464 Cb 0.37 1.57 -0.01 0.00 -3.03 0.00 0.00 36.82 35.72 1yae h ILE 464 CO 0.02 0.16 -0.46 -2.24 -0.68 0.00 0.00 178.15 174.96 1yae h ASP 465 N -0.21 0.51 -0.61 1.72 3.04 -0.97 -1.21 116.42 118.70 1yae h ASP 465 Ca 0.01 -0.24 0.12 0.00 -3.24 0.00 0.00 57.03 53.68 1yae h ASP 465 Cb 0.26 -0.15 -0.10 0.00 -1.04 0.00 0.00 39.33 38.31 1yae h ASP 465 CO 0.00 0.90 0.07 0.25 -2.04 0.00 0.00 179.24 178.41 1yae h LEU 466 N 0.39 -0.14 -0.34 0.15 5.85 -0.89 0.18 115.31 120.51 1yae h LEU 466 Ca 0.03 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1yae h LEU 466 Cb 0.95 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1yae h LEU 466 CO 0.08 -0.06 0.07 -0.07 -0.34 0.00 0.00 178.44 178.12 1yae h LEU 467 N 0.18 0.52 -0.38 2.25 3.38 -0.70 0.19 115.31 120.76 1yae h LEU 467 Ca 0.32 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1yae h LEU 467 Cb 0.51 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 1yae h LEU 467 CO -0.47 0.64 -0.14 -0.09 0.09 0.00 0.00 178.44 178.46 1yae h ARG 468 N 0.39 -0.06 0.53 1.13 9.65 -0.72 0.10 114.38 125.41 1yae h ARG 468 Ca 0.10 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 1yae h ARG 468 Cb 0.33 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1yae h ARG 468 CO 0.00 -0.04 -0.29 0.93 2.80 0.00 0.00 179.97 183.37 1yae h GLU 469 N -0.06 -0.74 -0.98 0.20 3.07 -0.22 -0.33 114.58 115.52 1yae h GLU 469 Ca 0.19 0.05 0.20 0.00 -0.50 0.00 0.00 59.36 59.30 1yae h GLU 469 Cb 0.35 0.17 -0.11 0.00 -0.84 0.00 0.00 28.75 28.31 1yae h GLU 469 CO -0.43 -0.49 0.57 -0.07 -1.40 0.00 0.00 179.01 177.19 1yae h LEU 470 N -0.77 0.69 -0.01 1.33 3.38 -0.38 -1.47 115.31 118.08 1yae h LEU 470 Ca -0.07 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1yae h LEU 470 Cb 0.61 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1yae h LEU 470 CO 0.09 0.20 0.00 -1.28 0.09 0.00 0.00 178.44 177.54 1yae h SER 471 N 0.67 0.02 -0.32 -0.43 0.87 -0.42 0.43 113.55 114.36 1yae h SER 471 Ca 0.58 -0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.99 1yae h SER 471 Cb 0.97 -0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.84 1yae h SER 471 CO -0.42 0.23 -0.37 0.74 -0.53 0.00 0.00 176.83 176.48 1yae h THR 472 N -0.20 0.18 0.61 2.23 2.02 -0.07 1.00 112.91 118.70 1yae h THR 472 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1yae h THR 472 Cb 0.22 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1yae h THR 472 CO -0.00 0.00 -0.29 0.40 0.37 0.00 0.00 175.52 176.00 1yae h ILE 473 N -0.33 0.34 0.00 3.11 5.03 -1.28 -3.28 117.51 121.09 1yae h ILE 473 Ca 0.14 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 1yae h ILE 473 Cb 0.57 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 34.76 1yae h ILE 473 CO -0.50 0.02 -0.20 -0.07 -0.68 0.00 0.00 178.15 176.72 1yae h LEU 474 N -0.96 0.00 1.12 1.44 3.38 -0.77 -0.93 115.31 118.61 1yae h LEU 474 Ca -0.08 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.60 1yae h LEU 474 Cb 0.67 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1yae h LEU 474 CO 0.14 0.02 -0.33 0.61 0.09 0.00 0.00 178.44 178.97 1yae n GLY 475 N 1.27 -0.08 3.96 0.83 0.00 0.35 0.17 105.19 111.68 1yae n GLY 475 Ca 0.04 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1yae n GLY 475 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yae s PHE 476 N -2.74 3.47 -0.01 1.61 -0.71 -1.02 -3.20 117.98 115.38 1yae s PHE 476 Ca 0.08 0.15 0.00 0.00 -1.04 0.00 0.00 56.93 56.11 1yae s PHE 476 Cb -0.03 -1.72 -0.04 0.00 -1.21 0.00 0.00 43.02 40.02 1yae s PHE 476 CO 0.10 0.29 0.04 -0.08 -1.34 0.00 0.00 175.22 174.23 1yae s THR 477 N -2.14 4.48 0.02 -4.49 -1.32 -0.77 -4.82 115.64 106.60 1yae s THR 477 Ca 0.37 -0.46 -0.02 0.00 -1.21 0.00 0.00 61.69 60.37 1yae s THR 477 Cb -0.09 -3.02 -0.01 0.00 -1.51 0.00 0.00 72.50 67.87 1yae s THR 477 CO 0.32 0.39 0.02 -0.72 -2.21 0.00 0.00 174.62 172.42 1yae s TYR 478 N -1.12 0.19 -0.17 9.09 1.13 -1.26 0.14 117.35 125.35 1yae s TYR 478 Ca 0.21 -0.41 0.01 0.00 -1.41 0.00 0.00 57.07 55.46 1yae s TYR 478 Cb -0.12 -0.15 0.02 0.00 -1.10 0.00 0.00 41.96 40.61 1yae s TYR 478 CO 0.11 -0.22 -0.19 -1.21 -2.51 0.00 0.00 175.55 171.53 1yae s GLU 479 N -1.48 3.03 0.04 -3.49 2.02 0.57 -4.81 118.70 114.58 1yae s GLU 479 Ca -0.15 -0.82 -0.27 0.00 0.02 0.00 0.00 54.97 53.75 1yae s GLU 479 Cb -0.09 -2.58 -0.05 0.00 0.10 0.00 0.00 34.13 31.51 1yae s GLU 479 CO -0.00 -0.16 0.87 0.42 0.02 0.00 0.00 175.26 176.40 1yae s ILE 480 N 1.20 4.72 -0.04 -1.63 1.01 -1.26 -0.38 121.20 124.82 1yae s ILE 480 Ca 0.02 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.52 1yae s ILE 480 Cb -0.14 -4.22 0.03 0.00 0.01 0.00 0.00 42.46 38.14 1yae s ILE 480 CO -0.10 0.29 -0.01 -0.13 0.00 0.00 0.00 174.94 175.00 1yae s ARG 481 N 0.28 0.44 0.33 2.79 0.52 0.12 -4.87 118.95 118.56 1yae s ARG 481 Ca 0.44 0.06 -0.29 0.00 -0.52 0.00 0.00 55.73 55.42 1yae s ARG 481 Cb -0.21 -0.64 -0.11 0.00 0.52 0.00 0.00 34.95 34.51 1yae s ARG 481 CO 0.26 -0.16 1.45 -0.51 0.02 0.00 0.00 175.30 176.35 1yae s LEU 482 N 1.23 4.36 -0.07 2.53 1.43 -1.26 -1.71 118.68 125.19 1yae s LEU 482 Ca -0.07 2.87 -0.36 0.00 -1.03 0.00 0.00 54.13 55.55 1yae s LEU 482 Cb -0.13 -3.65 -0.13 0.00 0.03 0.00 0.00 46.19 42.30 1yae s LEU 482 CO -0.02 -0.76 1.75 0.55 0.23 0.00 0.00 176.35 178.10 1yae n VAL 483 N 1.18 0.37 -0.07 -1.59 3.14 0.67 -4.80 118.33 117.22 1yae n VAL 483 Ca 0.03 -0.07 -0.07 0.00 -2.96 0.00 0.00 64.34 61.27 1yae n VAL 483 Cb 0.40 -1.59 -0.01 0.00 -1.06 0.00 0.00 33.84 31.58 1yae n VAL 483 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1yae h GLU 484 N 7.82 0.13 0.00 1.45 4.22 -1.91 -1.29 114.58 125.01 1yae h GLU 484 Ca -0.47 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.96 1yae h GLU 484 Cb 1.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1yae h GLU 484 CO 0.93 0.09 0.00 -0.40 -2.18 0.00 0.00 179.01 177.45 1yae n ASP 485 N -5.10 0.67 -0.43 1.04 5.75 -1.26 -4.94 116.55 112.27 1yae n ASP 485 Ca -0.01 0.58 -0.05 0.00 -0.01 0.00 0.00 54.79 55.30 1yae n ASP 485 Cb 0.12 -0.75 -0.02 0.00 -1.03 0.00 0.00 41.12 39.44 1yae n ASP 485 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yae n GLY 486 N 1.07 0.63 3.38 6.12 0.00 -0.49 -4.97 105.19 110.94 1yae n GLY 486 Ca 0.05 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1yae n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yae s LYS 487 N -2.84 1.42 -0.03 1.61 1.02 -1.26 -5.05 119.74 114.61 1yae s LYS 487 Ca 0.00 -1.69 -0.15 0.00 0.02 0.00 0.00 55.97 54.15 1yae s LYS 487 Cb 0.00 -1.06 -0.08 0.00 -0.52 0.00 0.00 37.83 36.17 1yae s LYS 487 CO 0.00 0.08 0.64 1.88 -0.92 0.00 0.00 175.35 177.03 1yae h TYR 488 N 2.43 -0.50 0.00 3.18 -1.99 -1.95 -2.27 116.97 115.87 1yae h TYR 488 Ca -0.39 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1yae h TYR 488 Cb 1.23 0.17 0.00 0.00 2.00 0.00 0.00 36.73 40.12 1yae h TYR 488 CO 0.68 -0.31 0.00 0.41 -0.00 0.00 0.00 178.16 178.94 1yae n GLY 489 N 0.36 -0.19 3.99 3.88 0.00 -1.24 -1.02 105.19 110.97 1yae n GLY 489 Ca -0.07 0.31 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 1yae n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yae s ALA 490 N 0.00 4.24 -0.20 4.61 0.00 -1.26 -4.73 121.76 124.42 1yae s ALA 490 Ca 0.00 -1.49 -0.18 0.00 0.00 0.00 0.00 51.96 50.29 1yae s ALA 490 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1yae s ALA 490 CO 0.00 -0.05 0.49 -0.65 0.00 0.00 0.00 175.76 175.55 1yae s GLN 491 N -4.18 4.19 0.11 0.00 1.11 -1.26 -1.88 119.66 117.74 1yae s GLN 491 Ca 0.46 0.37 -0.31 0.00 0.01 0.00 0.00 55.36 55.89 1yae s GLN 491 Cb -0.09 -3.56 -0.10 0.00 -1.01 0.00 0.00 33.01 28.25 1yae s GLN 491 CO 0.31 -0.12 1.78 0.34 0.01 0.00 0.00 175.29 177.61 1yae s ASP 492 N 1.13 6.47 0.10 5.90 2.15 0.89 -4.85 116.67 128.46 1yae s ASP 492 Ca 0.23 2.68 -0.31 0.00 0.43 0.00 0.00 52.55 55.59 1yae s ASP 492 Cb -0.15 -2.56 -0.11 0.00 -0.30 0.00 0.00 42.92 39.79 1yae s ASP 492 CO 0.09 -0.97 1.60 -2.24 -0.17 0.00 0.00 175.17 173.48 1yae h ASP 493 N 8.58 -1.08 0.84 -0.34 3.04 -1.96 0.30 116.42 125.80 1yae h ASP 493 Ca -0.45 0.11 -0.04 0.00 -3.24 0.00 0.00 57.03 53.41 1yae h ASP 493 Cb 1.21 0.39 0.00 0.00 -1.04 0.00 0.00 39.33 39.90 1yae h ASP 493 CO 0.94 -0.49 -0.44 1.62 -2.04 0.00 0.00 179.24 178.83 1yae h VAL 494 N -0.68 0.00 -0.15 4.15 3.04 -1.99 -3.34 116.25 117.28 1yae h VAL 494 Ca 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.58 1yae h VAL 494 Cb 0.67 0.00 -0.10 0.00 -2.01 0.00 0.00 31.29 29.85 1yae h VAL 494 CO -0.16 0.00 -0.59 0.59 -1.01 0.00 0.00 177.57 176.41 1yae n ASN 495 N -5.28 2.30 -4.02 3.17 3.02 -1.25 -5.01 115.26 108.19 1yae n ASN 495 Ca -0.14 -3.79 -0.27 0.00 -0.03 0.00 0.00 54.58 50.34 1yae n ASN 495 Cb 0.47 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1yae n ASN 495 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yae n GLY 496 N -0.98 -0.24 3.55 7.41 0.00 0.11 -4.96 105.19 110.08 1yae n GLY 496 Ca 0.23 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 1yae n GLY 496 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yae s GLN 497 N -6.67 2.47 0.58 1.61 0.00 -1.25 -4.77 119.66 111.63 1yae s GLN 497 Ca 0.10 -0.75 -0.07 0.00 -0.00 0.00 0.00 55.36 54.63 1yae s GLN 497 Cb -0.05 -2.43 -0.01 0.00 0.00 0.00 0.00 33.01 30.52 1yae s GLN 497 CO 0.90 0.60 0.92 -1.58 0.00 0.00 0.00 175.29 176.13 1yae s TRP 498 N -0.93 3.41 0.32 9.60 0.52 -1.26 -0.08 118.94 130.52 1yae s TRP 498 Ca 0.15 0.85 0.03 0.00 0.02 0.00 0.00 56.10 57.16 1yae s TRP 498 Cb -0.11 -2.66 -0.04 0.00 -1.15 0.00 0.00 33.47 29.51 1yae s TRP 498 CO 0.06 -0.70 0.15 0.54 0.02 0.00 0.00 176.95 177.01 1yae s ASN 499 N -4.24 1.76 1.36 2.95 2.20 -0.79 -4.71 114.94 113.47 1yae s ASN 499 Ca 0.53 -1.56 0.00 0.00 -0.94 0.00 0.00 52.86 50.89 1yae s ASN 499 Cb -0.11 0.36 0.00 0.00 -2.00 0.00 0.00 41.25 39.51 1yae s ASN 499 CO 0.47 -0.87 0.00 0.61 -2.94 0.00 0.00 177.10 174.37 1yae n GLY 500 N -0.63 3.18 0.22 0.45 0.00 -1.26 -2.10 105.19 105.05 1yae n GLY 500 Ca -0.00 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1yae n GLY 500 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1yae h MET 501 N 0.00 0.00 0.00 1.61 2.86 -0.45 0.33 114.93 119.28 1yae h MET 501 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1yae h MET 501 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1yae h MET 501 CO 0.00 0.22 -0.19 0.28 1.06 0.00 0.00 176.91 178.28 1yae h VAL 502 N 0.00 0.54 0.03 -2.22 2.07 -0.74 -3.02 116.25 112.92 1yae h VAL 502 Ca -0.00 -0.96 -0.30 0.00 0.82 0.00 0.00 66.70 66.26 1yae h VAL 502 Cb 0.43 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1yae h VAL 502 CO 0.03 0.19 -1.64 -1.14 0.02 0.00 0.00 177.57 175.03 1yae n ARG 503 N -3.44 0.61 -0.31 1.57 0.00 -0.38 -4.06 116.66 110.65 1yae n ARG 503 Ca -0.00 0.45 0.13 0.00 -0.00 0.00 0.00 57.85 58.43 1yae n ARG 503 Cb 0.38 -1.70 0.27 0.00 0.00 0.00 0.00 32.46 31.41 1yae n ARG 503 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1yae h GLU 504 N -0.73 0.08 -0.80 -0.14 4.39 -0.34 0.34 114.58 117.38 1yae h GLU 504 Ca -0.42 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.23 1yae h GLU 504 Cb 1.53 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.13 1yae h GLU 504 CO -0.17 0.05 0.35 1.25 -1.16 0.00 0.00 179.01 179.33 1yae h LEU 505 N 0.08 1.07 -1.25 1.33 6.46 -1.72 -3.48 115.31 117.80 1yae h LEU 505 Ca 0.56 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1yae h LEU 505 Cb 1.13 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1yae h LEU 505 CO -0.80 0.93 0.00 2.30 -0.62 0.00 0.00 178.44 180.25 1yae n ILE 506 N -4.29 0.00 -0.10 4.05 -6.64 0.12 -4.60 119.36 107.89 1yae n ILE 506 Ca 0.08 0.00 -0.24 0.00 -1.77 0.00 0.00 62.75 60.81 1yae n ILE 506 Cb 0.16 -0.00 -0.11 0.00 -1.44 0.00 0.00 39.64 38.25 1yae n ILE 506 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1yae n ASP 511 N 0.09 1.94 -4.18 7.28 8.00 -0.16 -5.09 116.55 124.43 1yae n ASP 511 Ca 0.00 0.32 -0.18 0.00 0.71 0.00 0.00 54.79 55.64 1yae n ASP 511 Cb 0.00 -0.86 -0.12 0.00 -0.02 0.00 0.00 41.12 40.12 1yae n ASP 511 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yae s LEU 512 N -7.53 2.31 -0.33 0.64 1.43 -1.12 -4.38 118.68 109.70 1yae s LEU 512 Ca -0.32 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.15 1yae s LEU 512 Cb 0.09 -0.50 0.09 0.00 0.03 0.00 0.00 46.19 45.90 1yae s LEU 512 CO 0.58 -0.10 0.02 0.00 0.23 0.00 0.00 176.35 177.08 1yae s ALA 513 N -1.51 2.84 -0.52 4.21 0.00 -0.85 -1.42 121.76 124.51 1yae s ALA 513 Ca 0.00 -2.30 -0.11 0.00 0.00 0.00 0.00 51.96 49.55 1yae s ALA 513 Cb -0.09 -1.92 0.13 0.00 0.00 0.00 0.00 23.12 21.24 1yae s ALA 513 CO 0.02 -1.56 0.42 0.08 0.00 0.00 0.00 175.76 174.72 1yae s VAL 514 N 1.00 4.54 0.23 0.00 1.01 -1.03 -0.68 120.40 125.46 1yae s VAL 514 Ca 0.05 -1.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.00 1yae s VAL 514 Cb -0.20 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.27 1yae s VAL 514 CO -0.06 -0.82 0.83 0.00 0.00 0.00 0.00 175.10 175.05 1yae s ALA 515 N 1.30 -1.38 -0.49 5.51 0.00 -1.26 -4.62 121.76 120.82 1yae s ALA 515 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.82 1yae s ALA 515 Cb -0.26 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1yae s ALA 515 CO -0.00 -1.04 1.68 -0.35 0.00 0.00 0.00 175.76 176.04 1yae n PRO 516 N -0.48 1.22 -3.13 0.00 -0.04 -1.26 -4.76 135.00 126.55 1yae n PRO 516 Ca -0.05 -0.99 -0.42 0.00 -0.04 0.00 0.00 63.50 61.99 1yae n PRO 516 Cb 0.60 -2.20 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 1yae n PRO 516 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1yae s LEU 517 N 0.05 4.41 0.11 1.53 1.98 -1.26 -5.05 118.68 120.46 1yae s LEU 517 Ca 0.24 -0.16 -0.31 0.00 -2.89 0.00 0.00 54.13 51.02 1yae s LEU 517 Cb 0.07 -2.72 -0.07 0.00 0.66 0.00 0.00 46.19 44.13 1yae s LEU 517 CO -0.02 -0.68 1.31 0.00 -1.89 0.00 0.00 176.35 175.07 1yae s ALA 518 N 2.72 3.51 -0.38 5.97 0.00 -1.26 -4.00 121.76 128.32 1yae s ALA 518 Ca 0.22 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.92 1yae s ALA 518 Cb -0.14 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 1yae s ALA 518 CO 0.17 -0.53 1.70 0.96 0.00 0.00 0.00 175.76 178.05 1yae s ILE 519 N 0.90 3.58 0.23 0.00 -4.36 -1.12 -4.98 121.20 115.44 1yae s ILE 519 Ca 0.61 0.58 0.10 0.00 -0.26 0.00 0.00 60.65 61.68 1yae s ILE 519 Cb -0.34 -3.83 -0.05 0.00 1.25 0.00 0.00 42.46 39.49 1yae s ILE 519 CO 0.31 -0.56 -0.19 0.42 0.24 0.00 0.00 174.94 175.17 1yae s THR 520 N 6.66 2.15 0.12 8.37 -4.23 -1.26 -4.90 115.64 122.55 1yae s THR 520 Ca 0.73 -2.21 -0.28 0.00 -1.18 0.00 0.00 61.69 58.76 1yae s THR 520 Cb -0.19 -2.12 -0.07 0.00 1.34 0.00 0.00 72.50 71.46 1yae s THR 520 CO 0.32 -0.39 1.61 0.22 -0.54 0.00 0.00 174.62 175.85 1yae h TYR 521 N 2.68 -0.90 -0.37 3.99 3.20 -1.99 0.99 116.97 124.57 1yae h TYR 521 Ca -0.41 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.53 1yae h TYR 521 Cb 1.23 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 39.85 1yae h TYR 521 CO 0.74 -0.43 0.11 0.28 -1.64 0.00 0.00 178.16 177.23 1yae h VAL 522 N -0.51 0.87 -0.82 1.81 2.07 -2.00 -2.16 116.25 115.51 1yae h VAL 522 Ca 0.05 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1yae h VAL 522 Cb 0.57 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1yae h VAL 522 CO -0.24 0.05 0.38 0.03 0.02 0.00 0.00 177.57 177.81 1yae h ARG 523 N 0.25 1.19 -0.10 1.57 3.08 -1.89 -2.61 114.38 115.87 1yae h ARG 523 Ca 0.17 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1yae h ARG 523 Cb 0.16 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1yae h ARG 523 CO -0.19 0.92 0.08 0.93 -1.07 0.00 0.00 179.97 180.64 1yae h GLU 524 N 1.17 0.00 -0.16 0.04 4.39 -0.18 -1.53 114.58 118.30 1yae h GLU 524 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1yae h GLU 524 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1yae h GLU 524 CO -0.03 0.00 0.00 1.17 -1.16 0.00 0.00 179.01 178.99 1yae n LYS 525 N -4.45 0.41 -0.38 2.33 4.81 -0.95 -4.60 118.16 115.34 1yae n LYS 525 Ca -0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1yae n LYS 525 Cb 0.19 -1.08 0.01 0.00 0.02 0.00 0.00 35.03 34.17 1yae n LYS 525 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1yae n ILE 527 N -0.19 0.00 -3.46 3.15 -5.35 -0.58 -5.09 119.36 107.84 1yae n ILE 527 Ca 0.00 -0.18 -0.37 0.00 -0.27 0.00 0.00 62.75 61.93 1yae n ILE 527 Cb 0.04 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.88 1yae n ILE 527 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1yae s ASP 528 N -0.35 6.82 0.12 7.28 1.01 0.44 -4.83 116.67 127.15 1yae s ASP 528 Ca 0.16 1.00 0.09 0.00 0.71 0.00 0.00 52.55 54.50 1yae s ASP 528 Cb -0.09 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1yae s ASP 528 CO 0.28 0.25 -0.16 -0.36 0.21 0.00 0.00 175.17 175.39 1yae s PHE 529 N -1.21 2.58 0.93 4.23 0.08 -1.26 -0.28 117.98 123.05 1yae s PHE 529 Ca 0.29 -0.24 -0.12 0.00 0.12 0.00 0.00 56.93 56.97 1yae s PHE 529 Cb -0.16 -1.36 0.15 0.00 -0.57 0.00 0.00 43.02 41.08 1yae s PHE 529 CO 0.16 0.40 1.14 -1.54 -0.10 0.00 0.00 175.22 175.28 1yae s SER 530 N -2.19 3.37 0.54 1.36 1.04 -0.38 -4.97 113.70 112.47 1yae s SER 530 Ca 0.19 0.96 -0.20 0.00 0.48 0.00 0.00 55.95 57.38 1yae s SER 530 Cb -0.11 -1.53 -0.06 0.00 0.10 0.00 0.00 66.02 64.43 1yae s SER 530 CO 0.11 -2.64 1.14 -0.75 0.98 0.00 0.00 173.24 172.08 1yae s LYS 531 N -5.26 3.38 0.37 4.02 2.20 -1.26 -4.56 119.74 118.63 1yae s LYS 531 Ca 0.64 1.64 -0.26 0.00 -0.36 0.00 0.00 55.97 57.63 1yae s LYS 531 Cb -0.15 -2.05 -0.11 0.00 -1.51 0.00 0.00 37.83 34.01 1yae s LYS 531 CO 0.54 -0.83 1.17 -2.30 -0.36 0.00 0.00 175.35 173.57 1yae n PRO 532 N -1.22 1.77 0.00 4.03 -0.02 -1.26 -4.57 135.00 133.73 1yae n PRO 532 Ca 0.11 0.63 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 1yae n PRO 532 Cb 0.51 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1yae n PRO 532 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1yae n PHE 533 N -0.02 0.03 -3.75 6.00 1.16 -1.26 -4.86 117.46 114.76 1yae n PHE 533 Ca 0.07 0.01 -0.13 0.00 -1.87 0.00 0.00 57.45 55.53 1yae n PHE 533 Cb 0.37 -0.12 -0.11 0.00 -1.61 0.00 0.00 39.48 38.01 1yae n PHE 533 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1yae s MET 534 N -3.05 0.37 0.03 3.97 0.00 -1.26 -5.02 119.30 114.34 1yae s MET 534 Ca 0.07 0.51 0.05 0.00 0.00 0.00 0.00 55.69 56.32 1yae s MET 534 Cb 0.16 0.13 -0.03 0.00 0.00 0.00 0.00 34.83 35.08 1yae s MET 534 CO 0.83 -0.07 -0.10 -0.08 0.00 0.00 0.00 175.02 175.60 1yae s THR 535 N 0.46 3.37 0.00 10.11 -1.32 -1.26 -0.14 115.64 126.86 1yae s THR 535 Ca -0.02 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1yae s THR 535 Cb -0.04 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1yae s THR 535 CO -0.02 0.33 0.00 0.00 -2.21 0.00 0.00 174.62 172.72 1yae n LEU 536 N 1.41 0.00 -3.62 9.08 -0.00 -1.26 -4.78 117.00 117.82 1yae n LEU 536 Ca -0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.81 1yae n LEU 536 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.93 1yae n LEU 536 CO 0.30 0.00 0.77 -0.83 -0.00 0.00 0.00 177.39 177.63 1yae s GLY 537 N -0.97 -0.35 0.36 1.47 0.00 -1.26 0.14 107.32 106.71 1yae s GLY 537 Ca 0.00 0.69 -0.28 0.00 0.00 0.00 0.00 44.72 45.13 1yae s GLY 537 CO 0.00 0.20 1.47 -0.42 0.00 0.00 0.00 173.10 174.35 1yae s ILE 538 N -3.04 2.14 0.21 0.90 -1.09 -1.26 -0.06 121.20 119.00 1yae s ILE 538 Ca 0.09 0.14 -0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1yae s ILE 538 Cb -0.00 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1yae s ILE 538 CO -0.04 0.03 0.27 -0.24 -1.23 0.00 0.00 174.94 173.74 1yae n SER 539 N 0.64 -0.76 -4.37 3.58 2.88 -0.37 -2.44 113.62 112.78 1yae n SER 539 Ca 0.01 -2.13 -0.32 0.00 -1.33 0.00 0.00 58.87 55.10 1yae n SER 539 Cb 0.39 1.44 -0.15 0.00 -0.75 0.00 0.00 64.21 65.14 1yae n SER 539 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1yae s ILE 540 N -2.67 2.45 -0.14 2.46 2.07 -1.24 -2.23 121.20 121.90 1yae s ILE 540 Ca 0.18 -0.95 -0.02 0.00 -1.41 0.00 0.00 60.65 58.45 1yae s ILE 540 Cb -0.00 -1.91 -0.02 0.00 0.13 0.00 0.00 42.46 40.66 1yae s ILE 540 CO 0.13 0.58 -0.09 -0.22 -1.91 0.00 0.00 174.94 173.43 1yae s LEU 541 N -0.56 2.95 0.00 8.50 0.20 -0.10 -0.79 118.68 128.88 1yae s LEU 541 Ca 0.08 -0.24 0.02 0.00 0.69 0.00 0.00 54.13 54.67 1yae s LEU 541 Cb -0.11 -1.69 -0.01 0.00 -0.43 0.00 0.00 46.19 43.96 1yae s LEU 541 CO 0.00 0.16 0.07 0.00 -0.29 0.00 0.00 176.35 176.29 1yae n TYR 542 N 3.56 0.06 0.00 5.38 4.19 -0.08 -1.81 117.16 128.45 1yae n TYR 542 Ca -0.18 -1.21 0.00 0.00 3.31 0.00 0.00 57.90 59.83 1yae n TYR 542 Cb 0.53 -0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.35 1yae n TYR 542 CO 0.00 0.00 0.00 0.44 0.91 0.00 0.00 176.86 178.21 1yae n ILE 680 N -0.42 0.00 -2.33 2.97 -5.35 -1.26 -4.15 119.36 108.82 1yae n ILE 680 Ca -0.03 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.12 1yae n ILE 680 Cb 0.28 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.16 1yae n ILE 680 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1yae s GLU 681 N -5.54 3.67 -0.02 6.28 2.02 -1.02 -4.85 118.70 119.26 1yae s GLU 681 Ca 0.00 1.18 -0.10 0.00 0.02 0.00 0.00 54.97 56.07 1yae s GLU 681 Cb 0.00 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 32.16 1yae s GLU 681 CO 0.00 -0.52 0.21 1.52 0.02 0.00 0.00 175.26 176.49 1yae s TYR 682 N -2.35 -0.08 0.28 1.61 -0.85 -1.26 -0.14 117.35 114.56 1yae s TYR 682 Ca 0.63 0.11 -0.16 0.00 -0.52 0.00 0.00 57.07 57.14 1yae s TYR 682 Cb -0.14 0.02 0.06 0.00 0.38 0.00 0.00 41.96 42.28 1yae s TYR 682 CO 0.29 -0.29 0.80 0.41 -1.52 0.00 0.00 175.55 175.24 1yae n GLY 683 N 1.64 0.91 3.32 5.49 0.00 -0.95 -4.83 105.19 110.76 1yae n GLY 683 Ca -0.21 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 1yae n GLY 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yae s ALA 684 N -1.96 1.86 -0.04 4.61 0.00 -1.26 -0.29 121.76 124.68 1yae s ALA 684 Ca 0.17 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 1yae s ALA 684 Cb -0.04 1.19 -0.04 0.00 0.00 0.00 0.00 23.12 24.24 1yae s ALA 684 CO 0.08 -0.52 1.28 0.08 0.00 0.00 0.00 175.76 176.68 1yae s VAL 685 N -3.66 4.05 0.30 0.00 1.01 -1.26 -1.53 120.40 119.31 1yae s VAL 685 Ca 0.36 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.45 1yae s VAL 685 Cb 0.05 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 1yae s VAL 685 CO 0.17 -0.00 1.28 -1.83 0.00 0.00 0.00 175.10 174.72 1yae s GLU 686 N 2.30 4.40 -1.98 2.72 -1.05 -0.27 -2.41 118.70 122.42 1yae s GLU 686 Ca 0.59 2.14 0.00 0.00 -0.15 0.00 0.00 54.97 57.55 1yae s GLU 686 Cb -0.27 -3.11 0.00 0.00 -0.44 0.00 0.00 34.13 30.31 1yae s GLU 686 CO 0.24 -0.15 0.00 -0.25 0.95 0.00 0.00 175.26 176.05 1yae n ASP 687 N 1.16 -5.35 -4.96 0.83 9.92 -1.26 -5.00 116.55 111.89 1yae n ASP 687 Ca 0.01 0.46 -0.22 0.00 -0.53 0.00 0.00 54.79 54.51 1yae n ASP 687 Cb 0.42 -4.61 0.04 0.00 -0.64 0.00 0.00 41.12 36.34 1yae n ASP 687 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1yae s GLY 688 N -2.65 1.77 0.34 0.44 0.00 -1.01 -4.72 107.32 101.49 1yae s GLY 688 Ca 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.56 1yae s GLY 688 CO 0.00 -0.90 1.93 0.00 0.00 0.00 0.00 173.10 174.13 1yae h ALA 689 N -0.05 1.64 0.09 3.20 0.00 -1.95 0.81 119.26 123.00 1yae h ALA 689 Ca -0.43 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1yae h ALA 689 Cb 1.30 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1yae h ALA 689 CO 0.54 0.23 -0.19 1.15 0.00 0.00 0.00 179.25 180.98 1yae h THR 690 N 0.86 0.56 0.30 0.00 2.02 -1.93 -0.57 112.91 114.15 1yae h THR 690 Ca 0.35 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.52 1yae h THR 690 Cb 0.27 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1yae h THR 690 CO -0.13 0.00 -0.17 -0.03 0.37 0.00 0.00 175.52 175.56 1yae h MET 691 N -0.36 -0.44 -0.18 6.66 -1.53 -1.48 -2.79 114.93 114.80 1yae h MET 691 Ca 0.03 0.03 0.05 0.00 -3.44 0.00 0.00 59.70 56.37 1yae h MET 691 Cb 0.39 0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.53 1yae h MET 691 CO -0.12 -0.29 0.17 1.15 0.14 0.00 0.00 176.91 177.97 1yae h THR 692 N -0.45 0.60 -0.13 -0.77 2.02 -0.71 -0.57 112.91 112.91 1yae h THR 692 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1yae h THR 692 Cb 0.37 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1yae h THR 692 CO 0.04 0.00 0.04 0.15 0.37 0.00 0.00 175.52 176.13 1yae h PHE 693 N 0.00 0.08 -4.00 3.16 3.57 -0.81 -3.51 116.94 115.43 1yae h PHE 693 Ca 0.09 0.01 -0.45 0.00 3.53 0.00 0.00 57.97 61.15 1yae h PHE 693 Cb 0.43 -0.02 0.15 0.00 2.79 0.00 0.00 35.95 39.31 1yae h PHE 693 CO 0.00 0.04 0.26 -0.06 -2.23 0.00 0.00 178.31 176.33 1yae s PHE 694 N -6.18 1.91 -0.31 0.41 0.40 -0.22 -5.13 117.98 108.84 1yae s PHE 694 Ca -0.13 0.73 0.02 0.00 -0.60 0.00 0.00 56.93 56.94 1yae s PHE 694 Cb 0.08 -3.48 0.09 0.00 0.51 0.00 0.00 43.02 40.22 1yae s PHE 694 CO 0.68 -2.81 0.05 0.21 0.70 0.00 0.00 175.22 174.05 1yae s LYS 704 N -5.33 1.21 0.34 0.44 2.20 -1.26 -4.77 119.74 112.57 1yae s LYS 704 Ca 0.67 -1.42 0.18 0.00 -0.36 0.00 0.00 55.97 55.04 1yae s LYS 704 Cb -0.13 -2.64 0.35 0.00 -1.51 0.00 0.00 37.83 33.90 1yae s LYS 704 CO 0.55 -0.90 1.58 0.52 -0.36 0.00 0.00 175.35 176.73 1yae h MET 705 N 7.85 0.00 -0.43 4.03 2.86 -2.04 -2.97 114.93 124.23 1yae h MET 705 Ca -0.10 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1yae h MET 705 Cb 1.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 1yae h MET 705 CO 0.48 0.39 0.10 2.35 1.06 0.00 0.00 176.91 181.29 1yae h TRP 706 N 0.00 0.73 -0.43 -0.22 2.91 -1.99 -1.63 115.95 115.32 1yae h TRP 706 Ca -0.00 -0.09 0.06 0.00 1.13 0.00 0.00 58.89 59.99 1yae h TRP 706 Cb 1.16 -0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 29.55 1yae h TRP 706 CO 0.00 0.68 0.11 0.00 -1.03 0.00 0.00 178.44 178.20 1yae h ALA 707 N 0.96 0.48 0.10 2.65 0.00 -1.90 0.32 119.26 121.87 1yae h ALA 707 Ca 0.13 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1yae h ALA 707 Cb 0.32 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1yae h ALA 707 CO 0.00 -0.29 -0.14 0.35 0.00 0.00 0.00 179.25 179.17 1yae h PHE 708 N 0.25 -0.35 -0.11 0.00 3.57 -1.36 -1.73 116.94 117.21 1yae h PHE 708 Ca 0.21 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.57 1yae h PHE 708 Cb 0.24 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1yae h PHE 708 CO -0.19 -0.21 -0.56 0.52 -2.23 0.00 0.00 178.31 175.65 1yae h MET 709 N -0.28 0.32 0.12 1.11 2.86 -1.03 -2.64 114.93 115.40 1yae h MET 709 Ca 0.02 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1yae h MET 709 Cb 0.28 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1yae h MET 709 CO -0.06 0.79 -0.19 1.03 1.06 0.00 0.00 176.91 179.54 1yae h SER 710 N 0.25 -0.52 -0.34 1.22 0.87 -0.25 -1.19 113.55 113.59 1yae h SER 710 Ca 0.00 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1yae h SER 710 Cb 1.05 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 1yae h SER 710 CO 0.09 -0.27 0.22 0.28 -0.53 0.00 0.00 176.83 176.62 1yae h SER 711 N -0.37 0.34 -1.36 6.23 0.02 -1.25 -2.83 113.55 114.34 1yae h SER 711 Ca 0.02 -0.01 -0.62 0.00 -0.84 0.00 0.00 61.79 60.35 1yae h SER 711 Cb 0.38 -0.08 -0.39 0.00 0.14 0.00 0.00 62.40 62.46 1yae h SER 711 CO -0.09 0.24 -0.30 -2.11 -1.14 0.00 0.00 176.83 173.43 1yae n ARG 712 N -4.49 3.30 -0.18 3.45 1.85 -1.00 -4.89 116.66 114.70 1yae n ARG 712 Ca 0.03 -4.14 -0.01 0.00 -1.00 0.00 0.00 57.85 52.72 1yae n ARG 712 Cb 0.11 -2.26 0.07 0.00 -1.05 0.00 0.00 32.46 29.33 1yae n ARG 712 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 1yae h ARG 713 N 2.49 0.09 0.00 2.89 0.11 -0.96 -2.36 114.38 116.65 1yae h ARG 713 Ca 0.39 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.40 1yae h ARG 713 Cb 0.92 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.97 1yae h ARG 713 CO 1.00 0.06 -0.33 0.37 0.10 0.00 0.00 179.97 181.16 1yae h GLN 714 N 0.09 0.00 -0.02 0.08 -0.00 -1.89 -2.46 115.11 110.91 1yae h GLN 714 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 1yae h GLN 714 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.92 1yae h GLN 714 CO -0.49 0.33 0.00 0.45 0.00 0.00 0.00 178.83 179.12 1yae n SER 715 N -3.82 1.73 0.00 -0.69 2.88 -0.89 -5.01 113.62 107.82 1yae n SER 715 Ca -0.01 -1.58 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 1yae n SER 715 Cb 0.41 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1yae n SER 715 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1yae n LEU 717 N 0.35 0.00 -4.96 2.46 4.77 -0.93 -5.10 117.00 113.59 1yae n LEU 717 Ca 0.18 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.98 1yae n LEU 717 Cb 0.39 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1yae n LEU 717 CO 0.16 0.00 0.07 -0.69 -1.33 0.00 0.00 177.39 175.60 1yae s VAL 718 N 0.00 3.40 -0.18 4.08 1.01 -0.58 -4.85 120.40 123.28 1yae s VAL 718 Ca 0.00 -1.09 0.22 0.00 0.00 0.00 0.00 61.98 61.11 1yae s VAL 718 Cb 0.00 -3.17 -0.28 0.00 0.00 0.00 0.00 36.38 32.93 1yae s VAL 718 CO 0.00 -0.08 0.61 0.29 0.00 0.00 0.00 175.10 175.92 1yae n LYS 719 N -1.67 0.57 -3.72 2.72 4.76 -1.26 -1.11 118.16 118.44 1yae n LYS 719 Ca 0.03 -0.14 -0.09 0.00 -2.87 0.00 0.00 58.31 55.24 1yae n LYS 719 Cb 0.59 -1.55 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 1yae n LYS 719 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1yae s SER 720 N -4.41 -0.34 0.14 4.39 1.04 -1.26 -4.83 113.70 108.43 1yae s SER 720 Ca -0.05 -0.43 -0.18 0.00 0.48 0.00 0.00 55.95 55.77 1yae s SER 720 Cb 0.14 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.92 1yae s SER 720 CO 0.89 -1.16 1.73 0.78 0.98 0.00 0.00 173.24 176.46 1yae h ASN 721 N 2.06 -0.01 -0.85 7.02 4.21 -1.99 -1.85 115.58 124.18 1yae h ASN 721 Ca -0.26 0.05 0.03 0.00 1.21 0.00 0.00 56.30 57.33 1yae h ASN 721 Cb 1.27 0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 38.49 1yae h ASN 721 CO 0.31 0.03 0.55 -0.33 -1.29 0.00 0.00 177.43 176.70 1yae h GLU 722 N 0.14 1.03 -0.30 0.81 3.07 -1.99 0.35 114.58 117.69 1yae h GLU 722 Ca 0.13 -0.06 0.07 0.00 -0.50 0.00 0.00 59.36 58.99 1yae h GLU 722 Cb 0.14 -0.23 -0.07 0.00 -0.84 0.00 0.00 28.75 27.74 1yae h GLU 722 CO -0.17 0.68 -0.18 0.93 -1.40 0.00 0.00 179.01 178.87 1yae h GLU 723 N 1.06 -0.14 0.14 2.33 4.39 -1.89 -0.97 114.58 119.51 1yae h GLU 723 Ca 0.34 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 1yae h GLU 723 Cb -0.00 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1yae h GLU 723 CO -0.11 -0.09 -0.07 0.78 -1.16 0.00 0.00 179.01 178.36 1yae h GLY 724 N -0.14 -0.20 0.15 -3.84 0.00 -0.42 -1.17 103.07 97.45 1yae h GLY 724 Ca 0.16 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.61 1yae h GLY 724 CO -0.39 -0.07 -0.30 -2.22 0.00 0.00 0.00 176.54 173.56 1yae h ILE 725 N -0.24 0.31 -0.93 2.60 1.08 -0.81 -0.68 117.51 118.84 1yae h ILE 725 Ca -0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.51 1yae h ILE 725 Cb 0.18 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 34.18 1yae h ILE 725 CO 0.03 0.00 0.61 1.56 -0.69 0.00 0.00 178.15 179.66 1yae h GLN 726 N -0.36 1.07 0.00 2.37 1.08 -1.16 -1.48 115.11 116.64 1yae h GLN 726 Ca 0.11 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1yae h GLN 726 Cb 0.53 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1yae h GLN 726 CO -0.36 0.71 0.00 0.00 -0.95 0.00 0.00 178.83 178.23 1yae h ARG 727 N 1.11 0.00 0.02 1.46 3.08 -0.31 0.81 114.38 120.54 1yae h ARG 727 Ca 0.39 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.41 1yae h ARG 727 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1yae h ARG 727 CO -0.14 0.00 -0.14 0.28 -1.07 0.00 0.00 179.97 178.90 1yae h VAL 728 N 0.00 1.68 -0.04 2.04 2.07 -0.31 -2.37 116.25 119.32 1yae h VAL 728 Ca 0.00 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 65.31 1yae h VAL 728 Cb 0.63 3.14 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 1yae h VAL 728 CO 0.00 0.58 -0.13 -0.07 0.02 0.00 0.00 177.57 177.97 1yae h LEU 729 N -0.79 0.05 0.07 2.57 3.38 -1.10 -3.31 115.31 116.19 1yae h LEU 729 Ca -0.02 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.63 1yae h LEU 729 Cb 1.03 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1yae h LEU 729 CO 0.03 0.20 -1.71 0.41 0.09 0.00 0.00 178.44 177.45 1yae n THR 730 N -4.35 1.67 -2.86 0.22 -1.04 0.26 -5.01 114.28 103.18 1yae n THR 730 Ca -0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1yae n THR 730 Cb 0.22 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 66.87 1yae n THR 730 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1yae n SER 731 N -3.90 0.89 -4.15 8.00 7.64 -0.89 -5.06 113.62 116.15 1yae n SER 731 Ca -0.33 -0.42 -0.38 0.00 1.01 0.00 0.00 58.87 58.76 1yae n SER 731 Cb 0.89 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.04 1yae n SER 731 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1yae s ASP 732 N -0.48 6.18 -0.03 6.43 2.15 -1.26 -4.78 116.67 124.88 1yae s ASP 732 Ca 0.00 -3.62 0.00 0.00 0.43 0.00 0.00 52.55 49.36 1yae s ASP 732 Cb 0.00 -1.96 0.03 0.00 -0.30 0.00 0.00 42.92 40.69 1yae s ASP 732 CO 0.00 -0.22 0.01 -0.47 -0.17 0.00 0.00 175.17 174.32 1yae s TYR 733 N -1.21 0.28 -0.26 -5.34 5.04 -1.26 -2.43 117.35 112.17 1yae s TYR 733 Ca 0.27 0.02 -0.12 0.00 -2.44 0.00 0.00 57.07 54.81 1yae s TYR 733 Cb -0.09 -0.41 -0.05 0.00 0.35 0.00 0.00 41.96 41.76 1yae s TYR 733 CO -0.11 -0.14 0.21 0.00 -1.34 0.00 0.00 175.55 174.18 1yae s ALA 734 N 1.14 3.56 -0.26 3.97 0.00 0.80 -4.57 121.76 126.40 1yae s ALA 734 Ca -0.08 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 1yae s ALA 734 Cb -0.13 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 1yae s ALA 734 CO -0.02 -0.43 0.25 0.12 0.00 0.00 0.00 175.76 175.68 1yae s PHE 735 N 1.54 3.26 -0.84 0.00 5.36 -0.75 -2.24 117.98 124.31 1yae s PHE 735 Ca 0.09 0.26 -0.25 0.00 -0.96 0.00 0.00 56.93 56.08 1yae s PHE 735 Cb -0.15 -2.41 0.05 0.00 -0.34 0.00 0.00 43.02 40.16 1yae s PHE 735 CO 0.09 -0.11 1.30 -0.51 -1.46 0.00 0.00 175.22 174.52 1yae s LEU 736 N 1.62 3.52 0.25 6.12 1.43 0.61 -0.92 118.68 131.32 1yae s LEU 736 Ca 0.10 -0.95 0.03 0.00 -1.03 0.00 0.00 54.13 52.29 1yae s LEU 736 Cb -0.15 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 1yae s LEU 736 CO 0.09 -1.64 0.02 0.00 0.23 0.00 0.00 176.35 175.05 1yae s MET 737 N 5.11 1.42 0.04 1.70 0.23 -0.95 -4.46 119.30 122.39 1yae s MET 737 Ca 0.37 -1.74 -0.30 0.00 -1.03 0.00 0.00 55.69 52.99 1yae s MET 737 Cb -0.06 -0.65 -0.07 0.00 -1.53 0.00 0.00 34.83 32.52 1yae s MET 737 CO 0.04 -0.13 1.53 -1.21 -2.03 0.00 0.00 175.02 173.23 1yae s GLU 738 N -3.88 4.24 0.31 3.16 2.02 -1.26 -1.24 118.70 122.05 1yae s GLU 738 Ca 0.31 2.16 0.03 0.00 0.02 0.00 0.00 54.97 57.49 1yae s GLU 738 Cb 0.06 -3.58 0.79 0.00 0.10 0.00 0.00 34.13 31.50 1yae s GLU 738 CO 0.11 -0.66 1.53 -1.13 0.02 0.00 0.00 175.26 175.13 1yae n SER 739 N 5.48 -0.08 -0.19 -0.19 3.41 0.92 -0.14 113.62 122.82 1yae n SER 739 Ca 0.15 1.66 -0.00 0.00 -0.26 0.00 0.00 58.87 60.41 1yae n SER 739 Cb 0.42 -0.62 0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1yae n SER 739 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yae h THR 740 N 0.00 0.67 0.02 6.66 1.03 -1.90 0.27 112.91 119.65 1yae h THR 740 Ca 0.61 -0.09 -0.20 0.00 -0.01 0.00 0.00 66.41 66.72 1yae h THR 740 Cb 1.29 0.38 -0.02 0.00 -1.07 0.00 0.00 68.15 68.73 1yae h THR 740 CO -0.91 0.05 -0.93 0.71 -0.01 0.00 0.00 175.52 174.43 1yae h THR 741 N 0.26 1.57 0.22 0.00 1.35 -0.91 -3.19 112.91 112.21 1yae h THR 741 Ca 0.30 -2.91 -0.01 0.00 -0.55 0.00 0.00 66.41 63.24 1yae h THR 741 Cb 0.43 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1yae h THR 741 CO -0.38 0.84 -0.10 0.40 -0.25 0.00 0.00 175.52 176.03 1yae h ILE 742 N 0.05 0.80 0.00 6.82 2.04 -0.57 -2.54 117.51 124.12 1yae h ILE 742 Ca -0.04 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1yae h ILE 742 Cb 1.61 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1yae h ILE 742 CO 0.13 0.02 0.00 1.05 0.00 0.00 0.00 178.15 179.35 1yae h GLU 743 N -0.33 0.00 0.08 2.37 4.11 -1.02 0.76 114.58 120.55 1yae h GLU 743 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1yae h GLU 743 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1yae h GLU 743 CO 0.05 0.00 -0.04 0.35 0.07 0.00 0.00 179.01 179.44 1yae h PHE 744 N 0.00 -0.10 -0.01 2.06 3.57 -1.46 -3.29 116.94 117.72 1yae h PHE 744 Ca 0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1yae h PHE 744 Cb 0.08 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1yae h PHE 744 CO 0.00 0.45 -0.43 -0.39 -2.23 0.00 0.00 178.31 175.71 1yae h VAL 745 N -0.77 1.31 -0.54 1.41 -1.51 -0.94 -3.13 116.25 112.08 1yae h VAL 745 Ca -0.01 -1.50 0.02 0.00 -1.23 0.00 0.00 66.70 63.98 1yae h VAL 745 Cb 0.59 1.80 -0.03 0.00 -2.13 0.00 0.00 31.29 31.52 1yae h VAL 745 CO 0.02 0.43 0.33 0.74 -1.23 0.00 0.00 177.57 177.86 1yae h THR 746 N 0.02 1.08 -0.16 7.19 2.02 -1.01 0.13 112.91 122.18 1yae h THR 746 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1yae h THR 746 Cb 0.78 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1yae h THR 746 CO 0.06 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.07 1yae n GLN 747 N -4.76 1.50 0.00 6.66 6.02 -1.18 -3.73 117.38 121.89 1yae n GLN 747 Ca 0.04 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.41 1yae n GLN 747 Cb 0.06 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1yae n GLN 747 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1yae n ARG 748 N 0.02 2.49 -4.58 -1.09 3.00 -0.77 -4.74 116.66 110.98 1yae n ARG 748 Ca 0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 57.85 57.63 1yae n ARG 748 Cb 0.22 -0.81 -0.17 0.00 0.00 0.00 0.00 32.46 31.70 1yae n ARG 748 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1yae s ASN 749 N -2.16 2.07 0.00 0.55 3.84 0.38 -5.04 114.94 114.58 1yae s ASN 749 Ca 0.00 -0.35 0.27 0.00 0.21 0.00 0.00 52.86 52.99 1yae s ASN 749 Cb 0.00 -0.94 1.16 0.00 -0.55 0.00 0.00 41.25 40.92 1yae s ASN 749 CO 0.00 0.03 1.80 0.00 -2.79 0.00 0.00 177.10 176.14 1yae n ASN 751 N -0.07 2.35 -4.58 0.00 4.13 -1.26 -4.94 115.26 110.89 1yae n ASN 751 Ca 0.19 -1.68 -0.34 0.00 1.68 0.00 0.00 54.58 54.44 1yae n ASN 751 Cb 0.29 0.23 -0.11 0.00 -1.54 0.00 0.00 39.78 38.65 1yae n ASN 751 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1yae s LEU 752 N -2.04 3.23 0.08 3.41 1.43 -1.23 -4.98 118.68 118.58 1yae s LEU 752 Ca 0.21 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1yae s LEU 752 Cb 0.17 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1yae s LEU 752 CO 0.39 0.33 -0.06 0.42 0.23 0.00 0.00 176.35 177.66 1yae s THR 753 N -0.59 0.54 0.02 5.49 -4.23 -1.26 -4.76 115.64 110.87 1yae s THR 753 Ca 0.09 -1.85 -0.23 0.00 -1.18 0.00 0.00 61.69 58.52 1yae s THR 753 Cb -0.12 -1.57 -0.05 0.00 1.34 0.00 0.00 72.50 72.10 1yae s THR 753 CO 0.02 -0.88 0.68 -1.58 -0.54 0.00 0.00 174.62 172.32 1yae s GLN 754 N -3.73 4.41 -0.19 3.99 0.74 -1.26 -0.91 119.66 122.71 1yae s GLN 754 Ca 0.09 0.91 -0.03 0.00 0.05 0.00 0.00 55.36 56.38 1yae s GLN 754 Cb 0.05 -3.35 -0.01 0.00 1.10 0.00 0.00 33.01 30.80 1yae s GLN 754 CO -0.06 0.33 -0.06 0.42 -0.55 0.00 0.00 175.29 175.37 1yae s ILE 755 N -0.15 3.43 0.03 -2.34 -1.09 0.03 -4.97 121.20 116.13 1yae s ILE 755 Ca 0.35 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 1yae s ILE 755 Cb -0.19 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.16 1yae s ILE 755 CO 0.20 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.98 1yae n GLY 756 N 4.27 -2.04 0.00 6.18 0.00 -1.26 -3.66 105.19 108.67 1yae n GLY 756 Ca -0.18 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1yae n GLY 756 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yae n GLY 757 N -0.80 1.73 0.00 -0.02 0.00 -1.26 -4.86 105.19 99.97 1yae n GLY 757 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1yae n GLY 757 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yae n LEU 758 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.59 117.00 116.91 1yae n LEU 758 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1yae n LEU 758 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1yae n LEU 758 CO 0.00 -0.58 0.00 -0.38 -1.33 0.00 0.00 177.39 175.10 1yae n ILE 759 N -1.43 0.00 -4.17 -0.08 5.41 -1.02 -4.87 119.36 113.19 1yae n ILE 759 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 1yae n ILE 759 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 1yae n ILE 759 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1yae n ASP 760 N -0.71 -0.74 -4.25 4.38 5.68 -1.26 -4.94 116.55 114.71 1yae n ASP 760 Ca 0.00 -2.77 -0.37 0.00 -0.50 0.00 0.00 54.79 51.15 1yae n ASP 760 Cb 0.00 1.59 -0.13 0.00 -1.14 0.00 0.00 41.12 41.44 1yae n ASP 760 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1yae s SER 761 N -2.92 5.11 0.00 -1.12 0.15 -1.26 -4.24 113.70 109.43 1yae s SER 761 Ca 0.31 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1yae s SER 761 Cb 0.01 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1yae s SER 761 CO 0.22 -0.28 0.00 1.17 1.20 0.00 0.00 173.24 175.55 1yae n LYS 762 N 4.76 0.00 -0.30 5.44 3.00 0.12 -4.99 118.16 126.19 1yae n LYS 762 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1yae n LYS 762 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 35.03 35.43 1yae n LYS 762 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yae n GLY 763 N 2.40 -3.25 0.00 3.14 0.00 -1.26 -4.63 105.19 101.60 1yae n GLY 763 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1yae n GLY 763 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yae n TYR 764 N -1.12 0.00 0.00 1.61 4.01 0.80 -2.80 117.16 119.67 1yae n TYR 764 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1yae n TYR 764 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1yae n TYR 764 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yae n GLY 765 N 5.00 1.83 3.50 2.72 0.00 -1.26 -3.36 105.19 113.62 1yae n GLY 765 Ca 0.00 -1.16 -0.44 0.00 0.00 0.00 0.00 46.02 44.41 1yae n GLY 765 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1yae n VAL 766 N 2.26 1.93 -3.13 1.61 0.31 -1.26 -4.55 118.33 115.50 1yae n VAL 766 Ca 0.00 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.46 1yae n VAL 766 Cb 0.00 -0.62 -0.06 0.00 -0.91 0.00 0.00 33.84 32.25 1yae n VAL 766 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yae s GLY 767 N -0.79 2.67 -0.20 2.92 0.00 0.14 -1.25 107.32 110.82 1yae s GLY 767 Ca 0.61 0.15 -0.14 0.00 0.00 0.00 0.00 44.72 45.35 1yae s GLY 767 CO 0.58 0.54 0.50 -1.59 0.00 0.00 0.00 173.10 173.14 1yae s THR 768 N -1.38 -0.01 0.43 0.90 2.01 0.62 -2.01 115.64 116.20 1yae s THR 768 Ca 0.39 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 1yae s THR 768 Cb -0.18 -0.72 -0.11 0.00 0.01 0.00 0.00 72.50 71.51 1yae s THR 768 CO 0.21 0.02 0.95 -2.65 -0.69 0.00 0.00 174.62 172.46 1yae n PRO 769 N 3.66 1.22 -1.29 4.92 -0.02 -1.26 0.17 135.00 142.40 1yae n PRO 769 Ca -0.19 0.44 -0.57 0.00 -2.02 0.00 0.00 63.50 61.16 1yae n PRO 769 Cb 0.56 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 31.97 1yae n PRO 769 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1yae n MET 770 N 0.15 0.00 -2.46 -0.52 2.81 -1.26 -3.42 117.12 112.42 1yae n MET 770 Ca 0.10 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.94 1yae n MET 770 Cb 0.39 -1.38 -0.04 0.00 -0.71 0.00 0.00 33.22 31.48 1yae n MET 770 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1yae n GLY 771 N 5.99 -5.19 2.94 3.03 0.00 -1.26 -5.00 105.19 105.70 1yae n GLY 771 Ca 0.44 1.46 -0.13 0.00 0.00 0.00 0.00 46.02 47.79 1yae n GLY 771 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yae s SER 772 N -0.60 -0.09 0.25 1.61 0.15 -1.22 -5.05 113.70 108.75 1yae s SER 772 Ca -0.24 0.20 -0.07 0.00 0.70 0.00 0.00 55.95 56.55 1yae s SER 772 Cb 0.02 0.17 0.45 0.00 -1.71 0.00 0.00 66.02 64.94 1yae s SER 772 CO 0.64 -0.07 1.63 -0.65 1.20 0.00 0.00 173.24 175.99 1yae h PRO 773 N 6.43 0.09 -0.20 5.44 0.11 -1.98 -3.12 132.00 138.77 1yae h PRO 773 Ca -0.31 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.59 1yae h PRO 773 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1yae h PRO 773 CO 0.45 0.06 -0.68 1.88 -0.21 0.00 0.00 178.00 179.50 1yae h TYR 774 N 0.09 1.02 0.00 0.65 0.05 -1.98 -3.35 116.97 113.45 1yae h TYR 774 Ca 0.42 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1yae h TYR 774 Cb 0.74 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1yae h TYR 774 CO -0.44 1.23 0.00 -2.13 -1.05 0.00 0.00 178.16 175.78 1yae n ARG 775 N -3.96 0.00 0.34 4.88 3.00 -1.18 -1.68 116.66 118.06 1yae n ARG 775 Ca -0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.64 1yae n ARG 775 Cb 0.69 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 33.07 1yae n ARG 775 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1yae h ASP 776 N 0.00 -0.75 -0.56 6.15 3.32 -1.79 -2.77 116.42 120.02 1yae h ASP 776 Ca 0.00 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.20 1yae h ASP 776 Cb 0.00 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1yae h ASP 776 CO 0.00 -0.40 0.59 0.11 -1.72 0.00 0.00 179.24 177.82 1yae h LYS 777 N -1.11 0.00 0.23 3.56 1.79 -1.61 0.50 116.57 119.94 1yae h LYS 777 Ca -0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1yae h LYS 777 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1yae h LYS 777 CO 0.15 0.00 -0.11 0.82 -1.08 0.00 0.00 179.45 179.23 1yae h ILE 778 N 0.00 0.00 -0.75 1.86 1.08 -1.04 -2.71 117.51 115.94 1yae h ILE 778 Ca 0.27 -0.04 0.13 0.00 -0.39 0.00 0.00 64.86 64.82 1yae h ILE 778 Cb 1.44 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.06 1yae h ILE 778 CO -0.00 0.00 -0.25 0.41 -0.69 0.00 0.00 178.15 177.61 1yae n THR 779 N -2.95 -0.37 -0.01 -0.27 -1.04 0.14 0.16 114.28 109.94 1yae n THR 779 Ca -0.04 1.75 -0.06 0.00 -2.04 0.00 0.00 64.05 63.66 1yae n THR 779 Cb 0.12 -2.35 -0.04 0.00 -1.82 0.00 0.00 70.33 66.24 1yae n THR 779 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1yae h ILE 780 N 0.00 0.00 -0.83 12.58 1.08 -1.56 -0.73 117.51 128.04 1yae h ILE 780 Ca 0.30 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.93 1yae h ILE 780 Cb 0.49 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.14 1yae h ILE 780 CO -0.76 0.00 0.39 0.00 -0.69 0.00 0.00 178.15 177.09 1yae h ALA 781 N -0.95 1.25 0.85 1.87 0.00 0.06 0.80 119.26 123.14 1yae h ALA 781 Ca 0.01 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1yae h ALA 781 Cb 0.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yae h ALA 781 CO -0.19 -0.18 -0.47 0.82 0.00 0.00 0.00 179.25 179.23 1yae h ILE 782 N 0.52 0.00 -0.75 0.00 2.04 -1.02 0.48 117.51 118.78 1yae h ILE 782 Ca 0.47 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.45 1yae h ILE 782 Cb 0.74 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.69 1yae h ILE 782 CO -0.41 0.00 -0.36 -0.07 0.00 0.00 0.00 178.15 177.30 1yae h LEU 783 N -1.22 -1.30 -0.64 1.44 3.38 0.43 0.60 115.31 118.00 1yae h LEU 783 Ca -0.12 0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.24 1yae h LEU 783 Cb 0.96 0.65 -0.09 0.00 0.09 0.00 0.00 40.66 42.27 1yae h LEU 783 CO 0.15 -0.30 0.14 -0.61 0.09 0.00 0.00 178.44 177.92 1yae h GLN 784 N -0.10 0.26 0.00 1.13 4.15 -0.92 -1.80 115.11 117.83 1yae h GLN 784 Ca 0.27 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1yae h GLN 784 Cb 0.57 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1yae h GLN 784 CO -0.80 0.17 -0.11 -0.07 -1.93 0.00 0.00 178.83 176.10 1yae h LEU 785 N 0.27 0.00 0.28 -2.39 3.38 0.24 -2.40 115.31 114.68 1yae h LEU 785 Ca 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1yae h LEU 785 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1yae h LEU 785 CO -0.43 0.11 -0.13 -0.61 0.09 0.00 0.00 178.44 177.46 1yae h GLN 786 N 0.00 -0.36 -0.68 1.13 5.75 -0.02 -1.34 115.11 119.58 1yae h GLN 786 Ca -0.00 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 1yae h GLN 786 Cb 0.32 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 1yae h GLN 786 CO 0.01 -0.03 0.19 1.05 -2.65 0.00 0.00 178.83 177.40 1yae h GLU 787 N -0.76 1.06 0.00 1.69 4.11 -0.97 0.20 114.58 119.92 1yae h GLU 787 Ca -0.04 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1yae h GLU 787 Cb 0.50 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1yae h GLU 787 CO 0.06 0.92 0.00 -0.85 0.07 0.00 0.00 179.01 179.22 1yae n GLU 788 N -4.25 0.18 -1.31 1.06 0.28 -0.94 -4.89 120.64 110.77 1yae n GLU 788 Ca 0.05 0.12 -0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1yae n GLU 788 Cb 0.24 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.61 1yae n GLU 788 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yae n GLY 789 N 0.45 0.39 0.25 -1.84 0.00 0.06 -4.97 105.19 99.53 1yae n GLY 789 Ca 0.08 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1yae n GLY 789 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yae h LYS 790 N 0.00 -0.54 -0.77 1.61 1.79 -1.48 -1.46 116.57 115.72 1yae h LYS 790 Ca -0.00 0.04 0.24 0.00 -2.18 0.00 0.00 60.65 58.74 1yae h LYS 790 Cb 0.32 0.12 -0.14 0.00 -1.58 0.00 0.00 32.23 30.95 1yae h LYS 790 CO 0.01 -0.33 0.12 1.28 -1.08 0.00 0.00 179.45 179.45 1yae n LEU 791 N -5.15 0.01 -0.06 2.94 4.77 -0.65 0.26 117.00 119.11 1yae n LEU 791 Ca -0.07 1.30 -0.15 0.00 -0.03 0.00 0.00 56.01 57.05 1yae n LEU 791 Cb 0.24 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1yae n LEU 791 CO 0.19 -1.35 0.43 -0.74 -1.33 0.00 0.00 177.39 174.58 1yae h HIS 792 N 0.00 0.96 -0.77 -1.77 2.76 -1.81 -2.71 115.15 111.81 1yae h HIS 792 Ca 0.52 -0.36 0.17 0.00 -2.20 0.00 0.00 60.37 58.50 1yae h HIS 792 Cb 1.17 -0.17 -0.13 0.00 1.55 0.00 0.00 27.41 29.82 1yae h HIS 792 CO -0.29 1.16 -0.01 0.52 -1.30 0.00 0.00 177.93 178.01 1yae h MET 793 N 0.49 0.09 0.03 5.26 2.86 0.94 -1.87 114.93 122.72 1yae h MET 793 Ca 0.00 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1yae h MET 793 Cb 1.12 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.77 1yae h MET 793 CO 0.11 0.06 -0.39 0.52 1.06 0.00 0.00 176.91 178.27 1yae h MET 794 N 0.09 0.22 -0.78 1.72 2.86 -1.35 -1.37 114.93 116.32 1yae h MET 794 Ca 0.42 -0.27 0.16 0.00 -2.06 0.00 0.00 59.70 57.95 1yae h MET 794 Cb 0.73 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.37 1yae h MET 794 CO -0.68 1.02 0.30 -0.22 1.06 0.00 0.00 176.91 178.39 1yae h LYS 795 N -0.47 0.41 0.17 1.72 1.63 -1.40 0.60 116.57 119.23 1yae h LYS 795 Ca -0.06 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1yae h LYS 795 Cb 1.18 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1yae h LYS 795 CO 0.08 0.27 -0.08 1.49 -3.45 0.00 0.00 179.45 177.75 1yae h GLU 796 N 0.42 -0.22 -0.72 1.90 4.57 -1.31 -2.59 114.58 116.62 1yae h GLU 796 Ca 0.44 0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.80 1yae h GLU 796 Cb 0.72 0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 29.24 1yae h GLU 796 CO -0.44 -0.04 0.08 -0.22 -1.18 0.00 0.00 179.01 177.21 1yae h LYS 797 N -0.37 0.17 0.18 1.92 3.64 -0.27 -3.16 116.57 118.67 1yae h LYS 797 Ca -0.02 -0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 59.02 1yae h LYS 797 Cb 0.29 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1yae h LYS 797 CO 0.04 0.11 -1.58 -1.49 -2.27 0.00 0.00 179.45 174.26 1yae h TRP 798 N 0.17 0.69 -3.19 1.91 4.06 -0.91 -3.46 115.95 115.22 1yae h TRP 798 Ca 0.40 -0.50 -0.59 0.00 2.06 0.00 0.00 58.89 60.26 1yae h TRP 798 Cb 0.69 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.75 1yae h TRP 798 CO -0.34 1.62 0.63 -1.58 -3.56 0.00 0.00 178.44 175.21 1yae s TRP 799 N -2.55 3.32 0.00 0.49 0.51 -0.98 -4.99 118.94 114.74 1yae s TRP 799 Ca -0.16 1.29 0.00 0.00 -2.12 0.00 0.00 56.10 55.12 1yae s TRP 799 Cb 0.05 -3.16 0.00 0.00 -0.81 0.00 0.00 33.47 29.54 1yae s TRP 799 CO 0.85 -0.44 0.00 -2.13 -0.51 0.00 0.00 176.95 174.71