#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 -1.68 -1.44 -5.35 -1.26 -4.85 119.36 104.78 1yae n ILE 424 Ca 0.00 -0.17 -0.45 0.00 -0.27 0.00 0.00 62.75 61.86 1yae n ILE 424 Cb 0.00 1.27 -0.04 0.00 -1.74 0.00 0.00 39.64 39.13 1yae n ILE 424 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1yae n THR 425 N -0.20 0.38 -0.37 7.28 -1.04 -1.26 -1.49 114.28 117.57 1yae n THR 425 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1yae n THR 425 Cb 0.07 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 66.68 1yae n THR 425 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1yae n ASP 426 N 5.55 0.00 0.00 8.00 8.00 -0.83 -4.82 116.55 132.46 1yae n ASP 426 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1yae n ASP 426 Cb 0.33 -1.64 0.00 0.00 -0.02 0.00 0.00 41.12 39.79 1yae n ASP 426 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1yae n SER 427 N 0.00 0.00 -0.05 -2.24 3.41 -0.56 0.17 113.62 114.35 1yae n SER 427 Ca 0.00 0.37 0.02 0.00 -0.26 0.00 0.00 58.87 59.00 1yae n SER 427 Cb 0.00 -0.37 0.03 0.00 -0.26 0.00 0.00 64.21 63.62 1yae n SER 427 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1yae n LEU 428 N -1.36 1.65 -4.21 1.04 4.77 -0.76 -5.04 117.00 113.08 1yae n LEU 428 Ca 0.00 -1.90 -0.27 0.00 -0.03 0.00 0.00 56.01 53.82 1yae n LEU 428 Cb 0.10 -0.11 0.22 0.00 -2.33 0.00 0.00 43.42 41.31 1yae n LEU 428 CO 0.00 0.46 0.11 -1.54 -1.33 0.00 0.00 177.39 175.09 1yae n SER 429 N -0.62 -3.10 0.00 -1.43 3.41 0.13 -3.10 113.62 108.90 1yae n SER 429 Ca 0.04 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 1yae n SER 429 Cb 0.41 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1yae n SER 429 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1yae n ASN 430 N -3.55 0.00 -4.23 4.04 5.15 -1.26 -4.89 115.26 110.52 1yae n ASN 430 Ca 0.07 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.72 1yae n ASN 430 Cb 0.52 -1.16 -0.16 0.00 -0.53 0.00 0.00 39.78 38.45 1yae n ASN 430 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1yae s ARG 431 N -0.41 3.15 -0.27 1.20 1.81 -1.18 -5.09 118.95 118.16 1yae s ARG 431 Ca 0.00 -0.79 -0.10 0.00 -1.72 0.00 0.00 55.73 53.12 1yae s ARG 431 Cb 0.00 -2.54 -0.05 0.00 -0.45 0.00 0.00 34.95 31.91 1yae s ARG 431 CO 0.00 0.03 0.16 -1.12 -0.68 0.00 0.00 175.30 173.69 1yae s SER 432 N 0.76 5.85 0.04 0.23 0.01 -1.26 -2.06 113.70 117.28 1yae s SER 432 Ca -0.07 -0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.19 1yae s SER 432 Cb -0.16 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1yae s SER 432 CO 0.00 -0.03 -0.04 -0.76 0.41 0.00 0.00 173.24 172.82 1yae s LEU 433 N 1.64 3.30 -0.31 2.44 1.02 0.36 -4.96 118.68 122.17 1yae s LEU 433 Ca 0.07 -0.16 -0.11 0.00 0.02 0.00 0.00 54.13 53.95 1yae s LEU 433 Cb -0.16 -1.96 -0.02 0.00 0.02 0.00 0.00 46.19 44.08 1yae s LEU 433 CO 0.09 0.24 0.18 -0.63 0.02 0.00 0.00 176.35 176.25 1yae s ILE 434 N -1.13 4.87 -0.27 -0.59 1.09 -1.26 0.00 121.20 123.91 1yae s ILE 434 Ca 0.20 -0.29 -0.09 0.00 -1.10 0.00 0.00 60.65 59.38 1yae s ILE 434 Cb -0.11 -3.46 -0.03 0.00 -1.06 0.00 0.00 42.46 37.79 1yae s ILE 434 CO 0.12 0.07 0.13 -0.69 -0.10 0.00 0.00 174.94 174.47 1yae s VAL 435 N 1.66 4.70 0.12 2.92 1.01 0.48 -0.72 120.40 130.57 1yae s VAL 435 Ca 0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1yae s VAL 435 Cb -0.17 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1yae s VAL 435 CO 0.08 0.25 0.50 0.28 0.00 0.00 0.00 175.10 176.21 1yae s THR 436 N 1.66 4.92 0.32 3.92 -1.32 -0.41 -0.12 115.64 124.61 1yae s THR 436 Ca 0.06 0.75 -0.10 0.00 -1.21 0.00 0.00 61.69 61.19 1yae s THR 436 Cb -0.16 -3.72 0.01 0.00 -1.51 0.00 0.00 72.50 67.13 1yae s THR 436 CO 0.07 0.29 0.57 0.28 -2.21 0.00 0.00 174.62 173.61 1yae s THR 437 N -1.41 0.00 0.07 5.08 -1.32 -0.60 -2.50 115.64 114.95 1yae s THR 437 Ca 0.35 -1.35 0.05 0.00 -1.21 0.00 0.00 61.69 59.53 1yae s THR 437 Cb -0.15 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.30 1yae s THR 437 CO 0.19 0.00 -0.14 -0.51 -2.21 0.00 0.00 174.62 171.95 1yae s ILE 438 N -3.25 1.07 -0.09 5.08 2.07 -1.26 -0.37 121.20 124.45 1yae s ILE 438 Ca 0.23 -1.27 -0.30 0.00 -1.41 0.00 0.00 60.65 57.90 1yae s ILE 438 Cb -0.02 -1.03 -0.03 0.00 0.13 0.00 0.00 42.46 41.51 1yae s ILE 438 CO 0.14 -0.23 1.30 -0.76 -1.91 0.00 0.00 174.94 173.48 1yae s LEU 439 N -1.70 4.25 -0.30 8.50 1.43 -1.26 -4.54 118.68 125.06 1yae s LEU 439 Ca -0.02 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 1yae s LEU 439 Cb -0.10 -3.55 0.17 0.00 0.03 0.00 0.00 46.19 42.74 1yae s LEU 439 CO 0.02 -0.71 0.89 -0.70 0.23 0.00 0.00 176.35 176.08 1yae s GLU 440 N 2.93 0.35 0.23 1.70 2.56 -0.49 -4.98 118.70 121.00 1yae s GLU 440 Ca 0.58 0.73 -0.30 0.00 0.00 0.00 0.00 54.97 55.99 1yae s GLU 440 Cb -0.25 0.43 -0.09 0.00 2.00 0.00 0.00 34.13 36.22 1yae s GLU 440 CO 0.20 -0.26 1.09 -2.00 -0.56 0.00 0.00 175.26 173.73 1yae s GLU 441 N 2.75 4.63 -0.50 4.30 2.12 -1.26 0.11 118.70 130.85 1yae s GLU 441 Ca 0.03 1.74 0.03 0.00 0.36 0.00 0.00 54.97 57.13 1yae s GLU 441 Cb -0.10 -3.24 0.54 0.00 0.26 0.00 0.00 34.13 31.60 1yae s GLU 441 CO -0.16 0.16 1.84 -0.35 -0.54 0.00 0.00 175.26 176.21 1yae n PRO 442 N 1.79 2.47 -0.02 4.30 -0.04 -1.26 -4.94 135.00 137.30 1yae n PRO 442 Ca 0.01 -3.25 -0.17 0.00 -0.04 0.00 0.00 63.50 60.05 1yae n PRO 442 Cb 0.46 -2.18 -0.14 0.00 -0.04 0.00 0.00 33.50 31.60 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 1.48 0.22 -3.46 0.54 0.05 -0.68 -1.15 116.97 113.97 1yae h TYR 443 Ca 0.54 -0.16 -0.28 0.00 0.05 0.00 0.00 58.73 58.88 1yae h TYR 443 Cb 1.79 -0.01 -0.33 0.00 1.01 0.00 0.00 36.73 39.19 1yae h TYR 443 CO 1.39 1.17 -0.69 0.08 -1.05 0.00 0.00 178.16 179.07 1yae s VAL 444 N -2.32 -0.05 0.04 -2.88 1.01 -0.23 -1.28 120.40 114.70 1yae s VAL 444 Ca -0.18 0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 1yae s VAL 444 Cb -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.28 1yae s VAL 444 CO 0.74 0.08 0.33 -0.76 0.00 0.00 0.00 175.10 175.49 1yae s LEU 445 N 1.00 0.75 0.07 3.92 1.43 -0.02 -1.39 118.68 124.45 1yae s LEU 445 Ca -0.08 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.61 1yae s LEU 445 Cb -0.11 1.46 -0.06 0.00 0.03 0.00 0.00 46.19 47.51 1yae s LEU 445 CO -0.04 -0.63 0.83 -0.36 0.23 0.00 0.00 176.35 176.38 1yae s PHE 446 N -2.55 3.76 0.50 0.29 0.08 -1.26 -1.68 117.98 117.13 1yae s PHE 446 Ca -0.05 1.58 -0.23 0.00 0.12 0.00 0.00 56.93 58.35 1yae s PHE 446 Cb -0.01 -2.89 -0.06 0.00 -0.57 0.00 0.00 43.02 39.49 1yae s PHE 446 CO -0.03 0.26 1.39 0.15 -0.10 0.00 0.00 175.22 176.88 1yae s LYS 447 N -0.06 3.39 -0.31 0.44 1.02 0.33 -4.88 119.74 119.66 1yae s LYS 447 Ca 0.41 2.32 -0.23 0.00 0.02 0.00 0.00 55.97 58.48 1yae s LYS 447 Cb -0.21 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1yae s LYS 447 CO 0.25 -1.02 0.77 0.15 -0.92 0.00 0.00 175.35 174.58 1yae s LYS 448 N -2.70 3.95 0.30 1.68 3.01 -1.26 -5.03 119.74 119.69 1yae s LYS 448 Ca 0.67 0.55 0.02 0.00 -1.01 0.00 0.00 55.97 56.20 1yae s LYS 448 Cb -0.42 -3.73 -0.05 0.00 -1.01 0.00 0.00 37.83 32.62 1yae s LYS 448 CO 0.51 -0.67 0.11 -1.12 0.51 0.00 0.00 175.35 174.69 1yae s SER 449 N 1.63 1.67 -0.16 2.83 0.01 -1.26 -5.04 113.70 113.38 1yae s SER 449 Ca 0.32 -1.45 0.16 0.00 1.31 0.00 0.00 55.95 56.28 1yae s SER 449 Cb -0.14 0.20 0.43 0.00 0.21 0.00 0.00 66.02 66.72 1yae s SER 449 CO 0.13 -0.76 1.20 -0.90 0.41 0.00 0.00 173.24 173.31 1yae n ASP 450 N -0.70 1.81 -3.88 2.44 5.68 -1.26 -5.00 116.55 115.63 1yae n ASP 450 Ca -0.01 -3.21 -0.11 0.00 -0.50 0.00 0.00 54.79 50.96 1yae n ASP 450 Cb 0.66 -0.44 -0.11 0.00 -1.14 0.00 0.00 41.12 40.09 1yae n ASP 450 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1yae s LYS 451 N -2.32 0.30 0.16 0.11 -0.14 -1.26 -5.14 119.74 111.44 1yae s LYS 451 Ca 0.37 -0.24 -0.34 0.00 -1.36 0.00 0.00 55.97 54.40 1yae s LYS 451 Cb 0.38 0.12 -0.16 0.00 -1.68 0.00 0.00 37.83 36.50 1yae s LYS 451 CO -0.09 -0.06 1.25 -2.30 -0.76 0.00 0.00 175.35 173.40 1yae n PRO 452 N 2.09 1.31 -4.30 -1.68 -0.02 -1.26 -5.02 135.00 126.12 1yae n PRO 452 Ca -0.19 0.47 -0.28 0.00 -2.02 0.00 0.00 63.50 61.48 1yae n PRO 452 Cb 0.57 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 1yae n PRO 452 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yae s LEU 453 N 0.56 2.83 -0.10 2.45 1.43 -1.26 -5.13 118.68 119.46 1yae s LEU 453 Ca 0.76 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1yae s LEU 453 Cb -0.84 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 43.80 1yae s LEU 453 CO 0.50 0.14 -0.13 -0.31 0.23 0.00 0.00 176.35 176.78 1yae s TYR 454 N -1.45 1.77 0.00 0.29 1.51 -1.26 -4.72 117.35 113.49 1yae s TYR 454 Ca 0.22 -0.83 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1yae s TYR 454 Cb -0.10 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1yae s TYR 454 CO 0.13 -0.46 0.00 0.41 -1.11 0.00 0.00 175.55 174.52 1yae n GLY 455 N 4.33 -0.50 0.53 0.71 0.00 -1.26 -3.44 105.19 105.56 1yae n GLY 455 Ca -0.18 -1.10 0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 3.70 0.00 0.51 1.61 2.35 -1.91 0.23 115.58 122.08 1yae h ASN 456 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 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 0.00 0.00 -0.78 -1.65 0.00 0.00 177.43 175.00 1yae h ASP 457 N 0.00 0.00 0.22 5.81 3.58 -1.95 -1.53 116.42 122.55 1yae h ASP 457 Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 1yae h ASP 457 Cb 2.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.67 1yae h ASP 457 CO -0.01 0.00 -0.05 -2.11 -2.88 0.00 0.00 179.24 174.20 1yae n ARG 458 N -2.57 0.90 -4.14 0.28 1.85 0.81 -4.79 116.66 109.01 1yae n ARG 458 Ca 0.00 -0.25 -0.35 0.00 -1.00 0.00 0.00 57.85 56.25 1yae n ARG 458 Cb 0.17 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 30.01 1yae n ARG 458 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1yae s PHE 459 N -2.27 3.34 0.12 2.89 0.40 -0.58 -0.51 117.98 121.36 1yae s PHE 459 Ca 0.36 0.30 -0.14 0.00 -0.60 0.00 0.00 56.93 56.85 1yae s PHE 459 Cb 0.21 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.94 1yae s PHE 459 CO 0.42 0.58 0.34 -1.83 0.70 0.00 0.00 175.22 175.42 1yae s GLU 460 N -1.19 1.00 0.00 0.44 -1.05 -0.68 -4.85 118.70 112.37 1yae s GLU 460 Ca 0.17 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.19 1yae s GLU 460 Cb -0.12 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 1yae s GLU 460 CO 0.06 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.31 1yae n GLY 461 N -0.18 2.67 0.22 -3.83 0.00 -1.26 -0.84 105.19 101.98 1yae n GLY 461 Ca -0.16 -1.83 -0.06 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.41 0.00 1.61 5.03 -0.67 -0.91 116.97 121.62 1yae h TYR 462 Ca 0.00 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 1yae h TYR 462 Cb 0.00 0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.51 1yae h TYR 462 CO 0.00 -0.24 -0.16 0.00 -1.32 0.00 0.00 178.16 176.44 1yae h ILE 464 N 0.00 1.30 -0.50 0.00 1.08 -1.30 -1.39 117.51 116.70 1yae h ILE 464 Ca -0.00 -2.13 -0.03 0.00 -0.39 0.00 0.00 64.86 62.31 1yae h ILE 464 Cb 0.45 2.31 -0.02 0.00 -3.07 0.00 0.00 36.82 36.49 1yae h ILE 464 CO 0.02 0.66 0.20 0.44 -0.69 0.00 0.00 178.15 178.78 1yae h ASP 465 N 0.35 0.68 -0.74 1.72 3.32 -0.62 -1.32 116.42 119.81 1yae h ASP 465 Ca -0.10 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 56.85 1yae h ASP 465 Cb 1.55 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.86 1yae h ASP 465 CO 0.18 0.66 0.42 0.25 -1.72 0.00 0.00 179.24 179.03 1yae h LEU 466 N 0.66 0.62 -0.18 1.55 5.85 -0.90 0.39 115.31 123.31 1yae h LEU 466 Ca 0.17 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1yae h LEU 466 Cb 0.19 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1yae h LEU 466 CO -0.01 0.39 0.03 0.25 -0.34 0.00 0.00 178.44 178.75 1yae h LEU 467 N 0.75 0.28 -0.70 2.25 6.46 -0.89 0.13 115.31 123.59 1yae h LEU 467 Ca 0.34 -0.25 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 1yae h LEU 467 Cb 0.23 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.03 1yae h LEU 467 CO -0.20 0.46 0.38 -0.09 -0.62 0.00 0.00 178.44 178.37 1yae h ARG 468 N 0.08 0.67 0.30 1.25 2.43 -0.83 0.77 114.38 119.06 1yae h ARG 468 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1yae h ARG 468 Cb 0.30 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1yae h ARG 468 CO 0.00 0.45 -0.14 0.93 -1.51 0.00 0.00 179.97 179.69 1yae h GLU 469 N 0.69 -0.39 -0.92 0.20 4.39 -0.61 0.13 114.58 118.08 1yae h GLU 469 Ca 0.32 0.03 0.15 0.00 0.34 0.00 0.00 59.36 60.19 1yae h GLU 469 Cb 0.23 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.89 1yae h GLU 469 CO -0.20 -0.20 0.59 -0.07 -1.16 0.00 0.00 179.01 177.97 1yae h LEU 470 N -0.50 0.69 -0.31 1.33 3.38 -0.41 -1.33 115.31 118.16 1yae h LEU 470 Ca -0.04 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1yae h LEU 470 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1yae h LEU 470 CO 0.07 0.34 -0.07 -1.28 0.09 0.00 0.00 178.44 177.58 1yae h SER 471 N 0.72 0.60 -0.15 -0.43 0.87 -0.45 0.46 113.55 115.18 1yae h SER 471 Ca 0.47 -0.36 0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1yae h SER 471 Cb 0.74 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.47 1yae h SER 471 CO -0.23 0.82 -0.26 0.74 -0.53 0.00 0.00 176.83 177.37 1yae h THR 472 N 0.37 0.38 0.60 2.23 2.02 0.14 0.78 112.91 119.43 1yae h THR 472 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1yae h THR 472 Cb 0.56 0.38 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1yae h THR 472 CO 0.03 0.00 -0.29 0.40 0.37 0.00 0.00 175.52 176.03 1yae h ILE 473 N -0.32 0.29 0.00 3.11 2.04 -1.34 -3.28 117.51 118.01 1yae h ILE 473 Ca 0.11 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1yae h ILE 473 Cb 0.48 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1yae h ILE 473 CO -0.33 0.03 0.00 -0.07 0.00 0.00 0.00 178.15 177.78 1yae h LEU 474 N -1.02 0.00 1.48 1.44 3.38 -0.87 -2.20 115.31 117.51 1yae h LEU 474 Ca -0.08 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.66 1yae h LEU 474 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1yae h LEU 474 CO 0.13 0.00 -0.30 0.61 0.09 0.00 0.00 178.44 178.97 1yae n GLY 475 N 0.94 -0.09 3.97 0.83 0.00 0.27 -1.83 105.19 109.28 1yae n GLY 475 Ca 0.04 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.61 3.34 -0.03 1.61 -0.12 -1.23 -3.07 117.98 115.86 1yae s PHE 476 Ca 0.02 0.02 -0.02 0.00 -0.05 0.00 0.00 56.93 56.90 1yae s PHE 476 Cb -0.01 -1.83 -0.04 0.00 -0.63 0.00 0.00 43.02 40.51 1yae s PHE 476 CO 0.03 0.17 0.10 0.95 -0.05 0.00 0.00 175.22 176.42 1yae s THR 477 N -2.16 4.95 0.00 -4.49 -4.23 -0.88 -4.83 115.64 104.01 1yae s THR 477 Ca 0.40 -0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1yae s THR 477 Cb -0.09 -3.24 -0.00 0.00 1.34 0.00 0.00 72.50 70.50 1yae s THR 477 CO 0.32 0.41 0.08 -0.72 -0.54 0.00 0.00 174.62 174.16 1yae s TYR 478 N -1.17 0.08 -0.19 3.99 1.13 -1.26 0.14 117.35 120.07 1yae s TYR 478 Ca 0.22 -0.19 -0.01 0.00 -1.41 0.00 0.00 57.07 55.68 1yae s TYR 478 Cb -0.12 -0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 1yae s TYR 478 CO 0.12 -0.21 -0.12 -2.00 -2.51 0.00 0.00 175.55 170.83 1yae s GLU 479 N -1.13 3.21 0.13 -3.49 2.12 0.10 -4.91 118.70 114.73 1yae s GLU 479 Ca -0.12 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 1yae s GLU 479 Cb -0.07 -2.76 -0.06 0.00 0.26 0.00 0.00 34.13 31.50 1yae s GLU 479 CO 0.00 -0.14 1.00 0.42 -0.54 0.00 0.00 175.26 176.00 1yae s ILE 480 N 1.22 4.34 -0.03 -3.70 1.01 -1.26 -0.39 121.20 122.39 1yae s ILE 480 Ca 0.02 1.96 -0.00 0.00 0.00 0.00 0.00 60.65 62.63 1yae s ILE 480 Cb -0.14 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 38.11 1yae s ILE 480 CO -0.06 0.31 0.02 -0.13 0.00 0.00 0.00 174.94 175.09 1yae s ARG 481 N -0.10 0.11 0.41 2.79 0.52 0.83 -4.86 118.95 118.65 1yae s ARG 481 Ca 0.48 0.16 -0.26 0.00 -0.52 0.00 0.00 55.73 55.59 1yae s ARG 481 Cb -0.25 -0.38 -0.08 0.00 0.52 0.00 0.00 34.95 34.76 1yae s ARG 481 CO 0.31 -0.17 1.26 -0.51 0.02 0.00 0.00 175.30 176.21 1yae s LEU 482 N 1.16 4.20 -0.01 2.53 2.01 -1.26 -1.56 118.68 125.75 1yae s LEU 482 Ca -0.08 2.55 -0.36 0.00 0.01 0.00 0.00 54.13 56.25 1yae s LEU 482 Cb -0.13 -3.95 -0.15 0.00 0.01 0.00 0.00 46.19 41.97 1yae s LEU 482 CO -0.03 -0.80 1.61 0.52 1.01 0.00 0.00 176.35 178.66 1yae n VAL 483 N 0.09 0.20 -0.13 -1.59 0.31 0.51 -4.79 118.33 112.92 1yae n VAL 483 Ca 0.04 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1yae n VAL 483 Cb 0.45 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1yae n VAL 483 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1yae h GLU 484 N 6.56 0.53 0.00 5.55 5.08 -1.91 -1.85 114.58 128.53 1yae h GLU 484 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1yae h GLU 484 Cb 1.30 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1yae h GLU 484 CO 0.89 0.35 -0.11 -0.40 -1.00 0.00 0.00 179.01 178.73 1yae n ASP 485 N -4.81 0.21 -0.89 1.42 5.75 -1.26 -4.94 116.55 112.02 1yae n ASP 485 Ca 0.01 0.37 -0.08 0.00 -0.01 0.00 0.00 54.79 55.07 1yae n ASP 485 Cb 0.02 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 39.72 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 1.47 0.21 3.34 6.12 0.00 -0.70 -5.04 105.19 110.59 1yae n GLY 486 Ca 0.06 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1yae n GLY 486 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yae s LYS 487 N -4.10 1.31 -0.07 1.61 0.00 -1.26 -5.06 119.74 112.16 1yae s LYS 487 Ca 0.00 -1.61 -0.27 0.00 0.00 0.00 0.00 55.97 54.09 1yae s LYS 487 Cb 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 37.83 36.68 1yae s LYS 487 CO 0.00 0.08 1.05 1.88 0.00 0.00 0.00 175.35 178.36 1yae h TYR 488 N 2.54 -0.00 0.00 1.78 -1.99 -1.94 -1.61 116.97 115.76 1yae h TYR 488 Ca -0.38 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.35 1yae h TYR 488 Cb 1.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.95 1yae h TYR 488 CO 0.67 0.71 0.00 0.41 -0.00 0.00 0.00 178.16 179.95 1yae n GLY 489 N 0.84 1.66 3.56 3.88 0.00 -1.26 -0.78 105.19 113.08 1yae n GLY 489 Ca -0.09 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 2.94 -0.16 4.61 0.00 -1.26 -4.80 121.76 123.09 1yae s ALA 490 Ca 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 51.96 50.17 1yae s ALA 490 Cb 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1yae s ALA 490 CO 0.00 0.35 0.38 1.14 0.00 0.00 0.00 175.76 177.64 1yae s GLN 491 N -3.25 4.25 0.10 0.00 -2.07 -1.26 -2.51 119.66 114.91 1yae s GLN 491 Ca 0.28 0.24 -0.31 0.00 -1.82 0.00 0.00 55.36 53.74 1yae s GLN 491 Cb -0.07 -3.47 -0.10 0.00 -1.09 0.00 0.00 33.01 28.28 1yae s GLN 491 CO 0.16 0.11 1.87 -3.47 -1.32 0.00 0.00 175.29 172.65 1yae n ASP 492 N 3.94 4.06 0.07 12.60 -0.08 0.63 -4.85 116.55 132.93 1yae n ASP 492 Ca -0.09 0.97 -0.13 0.00 -1.51 0.00 0.00 54.79 54.03 1yae n ASP 492 Cb 0.51 -1.54 -0.08 0.00 2.34 0.00 0.00 41.12 42.36 1yae n ASP 492 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1yae h ASP 493 N 9.05 -0.09 0.17 1.67 1.82 -1.96 0.29 116.42 127.37 1yae h ASP 493 Ca -0.47 -0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.10 1yae h ASP 493 Cb 1.23 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.24 1yae h ASP 493 CO 0.95 0.00 -0.27 0.58 -1.61 0.00 0.00 179.24 178.89 1yae h VAL 494 N -0.18 0.00 -0.43 2.25 2.07 -1.99 -3.34 116.25 114.62 1yae h VAL 494 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1yae h VAL 494 Cb 0.15 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1yae h VAL 494 CO 0.02 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.15 1yae n ASN 495 N -3.98 3.25 -4.06 0.57 6.94 -1.24 -5.00 115.26 111.74 1yae n ASN 495 Ca -0.05 -2.06 -0.29 0.00 -0.02 0.00 0.00 54.58 52.15 1yae n ASN 495 Cb 0.23 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 1yae n ASN 495 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yae n GLY 496 N 0.72 -0.28 3.48 4.83 0.00 0.10 -4.96 105.19 109.08 1yae n GLY 496 Ca 0.15 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 1yae n GLY 496 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yae s GLN 497 N -6.73 2.14 0.29 1.61 -0.21 -1.24 -4.77 119.66 110.75 1yae s GLN 497 Ca 0.23 -0.95 -0.12 0.00 0.02 0.00 0.00 55.36 54.54 1yae s GLN 497 Cb -0.13 -2.24 -0.08 0.00 1.00 0.00 0.00 33.01 31.56 1yae s GLN 497 CO 0.91 0.55 0.66 -1.58 -2.12 0.00 0.00 175.29 173.70 1yae s TRP 498 N -0.95 3.40 0.05 0.91 0.52 -1.26 -0.27 118.94 121.33 1yae s TRP 498 Ca 0.15 1.06 0.00 0.00 0.02 0.00 0.00 56.10 57.34 1yae s TRP 498 Cb -0.11 -2.41 0.00 0.00 -1.15 0.00 0.00 33.47 29.80 1yae s TRP 498 CO 0.06 0.16 0.00 0.27 0.02 0.00 0.00 176.95 177.46 1yae n ASN 499 N -0.30 0.42 0.00 2.95 6.94 -1.05 -4.61 115.26 119.61 1yae n ASN 499 Ca 0.02 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1yae n ASN 499 Cb 0.53 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 1yae n ASN 499 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yae n GLY 500 N 3.10 0.86 0.33 4.83 0.00 -1.26 -4.26 105.19 108.79 1yae n GLY 500 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.48 -0.48 1.61 2.86 0.08 -1.97 114.93 117.52 1yae h MET 501 Ca 0.00 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1yae h MET 501 Cb 0.00 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 1yae h MET 501 CO 0.00 0.32 0.21 0.28 1.06 0.00 0.00 176.91 178.78 1yae h VAL 502 N 0.50 0.90 -0.22 -2.22 2.07 -1.76 -2.33 116.25 113.19 1yae h VAL 502 Ca 0.22 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1yae h VAL 502 Cb 0.23 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1yae h VAL 502 CO -0.06 0.07 0.06 -0.09 0.02 0.00 0.00 177.57 177.58 1yae h ARG 503 N 0.41 0.34 -0.97 1.57 9.65 -1.56 -2.85 114.38 120.97 1yae h ARG 503 Ca 0.22 -0.07 0.23 0.00 -1.10 0.00 0.00 59.98 59.26 1yae h ARG 503 Cb 0.18 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.63 1yae h ARG 503 CO -0.19 0.43 0.64 1.49 2.80 0.00 0.00 179.97 185.14 1yae h GLU 504 N 0.18 0.39 -0.02 0.20 4.81 -1.12 -1.80 114.58 117.21 1yae h GLU 504 Ca 0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1yae h GLU 504 Cb 0.24 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1yae h GLU 504 CO -0.00 0.26 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.43 1yae h LEU 505 N 0.40 0.06 0.02 1.64 3.38 -1.20 -1.77 115.31 117.83 1yae h LEU 505 Ca 0.52 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1yae h LEU 505 Cb 1.33 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 1yae h LEU 505 CO -0.22 0.58 -0.24 0.40 0.09 0.00 0.00 178.44 179.05 1yae h ILE 506 N -0.45 0.44 0.00 1.22 2.04 -1.17 0.13 117.51 119.72 1yae h ILE 506 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1yae h ILE 506 Cb 0.56 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1yae h ILE 506 CO 0.01 0.00 0.04 0.47 0.00 0.00 0.00 178.15 178.67 1yae n ASP 507 N -5.36 0.00 -0.68 1.72 8.00 -0.84 -4.76 116.55 114.63 1yae n ASP 507 Ca -0.05 0.32 -0.09 0.00 0.71 0.00 0.00 54.79 55.68 1yae n ASP 507 Cb 0.28 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 1yae n ASP 507 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1yae n HIS 508 N -1.30 0.00 1.67 1.24 8.25 0.45 -4.88 115.22 120.65 1yae n HIS 508 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 1yae n HIS 508 Cb 0.04 -1.97 0.72 0.00 1.12 0.00 0.00 29.99 29.90 1yae n HIS 508 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1yae n LYS 509 N -2.02 1.10 -3.84 -0.41 5.02 -0.68 -4.77 118.16 112.57 1yae n LYS 509 Ca -0.09 -0.36 -0.12 0.00 -2.02 0.00 0.00 58.31 55.72 1yae n LYS 509 Cb 0.38 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.79 1yae n LYS 509 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yae s ALA 510 N -2.14 -0.41 -0.12 7.82 0.00 -1.13 -4.98 121.76 120.80 1yae s ALA 510 Ca 0.39 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 1yae s ALA 510 Cb 0.21 -0.09 -0.26 0.00 0.00 0.00 0.00 23.12 22.98 1yae s ALA 510 CO 0.39 -0.15 0.42 -0.44 0.00 0.00 0.00 175.76 175.98 1yae h ASP 511 N 5.02 0.38 -4.45 0.00 3.32 -1.23 -3.42 116.42 116.05 1yae h ASP 511 Ca -0.28 -0.87 -0.30 0.00 0.02 0.00 0.00 57.03 55.59 1yae h ASP 511 Cb 1.19 -0.12 -0.24 0.00 0.22 0.00 0.00 39.33 40.38 1yae h ASP 511 CO 0.40 1.76 -0.74 -0.76 -1.72 0.00 0.00 179.24 178.17 1yae s LEU 512 N -7.29 2.17 -0.30 1.55 1.02 -1.13 -4.19 118.68 110.51 1yae s LEU 512 Ca -0.22 -0.39 0.03 0.00 0.02 0.00 0.00 54.13 53.57 1yae s LEU 512 Cb 0.06 -0.23 0.08 0.00 0.02 0.00 0.00 46.19 46.12 1yae s LEU 512 CO 0.76 -0.10 -0.03 0.00 0.02 0.00 0.00 176.35 177.00 1yae s ALA 513 N -0.92 2.73 -0.47 4.21 0.00 -0.48 -1.29 121.76 125.54 1yae s ALA 513 Ca -0.05 -2.13 -0.10 0.00 0.00 0.00 0.00 51.96 49.67 1yae s ALA 513 Cb -0.07 -1.78 0.11 0.00 0.00 0.00 0.00 23.12 21.37 1yae s ALA 513 CO 0.00 -1.43 0.34 0.08 0.00 0.00 0.00 175.76 174.75 1yae s VAL 514 N 1.01 4.37 0.24 0.00 1.01 -1.04 -1.24 120.40 124.76 1yae s VAL 514 Ca 0.00 -1.63 -0.21 0.00 0.00 0.00 0.00 61.98 60.14 1yae s VAL 514 Cb -0.20 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.43 1yae s VAL 514 CO -0.06 -0.71 0.89 0.00 0.00 0.00 0.00 175.10 175.21 1yae s ALA 515 N 1.42 -1.33 -0.75 5.51 0.00 -1.26 -4.62 121.76 120.73 1yae s ALA 515 Ca 0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 1yae s ALA 515 Cb -0.26 0.72 -0.08 0.00 0.00 0.00 0.00 23.12 23.50 1yae s ALA 515 CO 0.01 -1.04 2.21 -0.35 0.00 0.00 0.00 175.76 176.59 1yae n PRO 516 N -0.54 1.97 -3.26 0.00 -0.04 -1.26 -4.68 135.00 127.19 1yae n PRO 516 Ca -0.05 -1.30 -0.41 0.00 -0.04 0.00 0.00 63.50 61.69 1yae n PRO 516 Cb 0.60 -2.32 -0.08 0.00 -0.04 0.00 0.00 33.50 31.66 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 0.08 4.39 0.19 1.53 2.96 -1.26 -5.02 118.68 121.55 1yae s LEU 517 Ca 0.41 -0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.93 1yae s LEU 517 Cb 0.13 -2.55 -0.08 0.00 0.50 0.00 0.00 46.19 44.18 1yae s LEU 517 CO -0.03 -0.48 1.20 0.00 -1.32 0.00 0.00 176.35 175.73 1yae s ALA 518 N 2.35 3.44 -0.49 5.97 0.00 -1.26 -3.24 121.76 128.54 1yae s ALA 518 Ca 0.18 0.97 -0.28 0.00 0.00 0.00 0.00 51.96 52.82 1yae s ALA 518 Cb -0.16 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1yae s ALA 518 CO 0.13 -0.38 1.49 0.42 0.00 0.00 0.00 175.76 177.43 1yae s ILE 519 N -0.11 3.76 0.28 0.00 1.01 -0.77 -4.96 121.20 120.41 1yae s ILE 519 Ca 0.53 0.70 0.12 0.00 0.00 0.00 0.00 60.65 61.99 1yae s ILE 519 Cb -0.33 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 37.86 1yae s ILE 519 CO 0.37 -0.92 -0.17 0.42 0.00 0.00 0.00 174.94 174.64 1yae s THR 520 N 6.19 2.60 0.11 2.92 -4.23 -1.26 -4.67 115.64 117.30 1yae s THR 520 Ca 0.60 -2.35 -0.28 0.00 -1.18 0.00 0.00 61.69 58.48 1yae s THR 520 Cb -0.13 -2.37 -0.09 0.00 1.34 0.00 0.00 72.50 71.24 1yae s THR 520 CO 0.28 -0.40 1.63 0.22 -0.54 0.00 0.00 174.62 175.82 1yae h TYR 521 N 2.22 -0.77 -0.29 3.99 3.20 -1.99 0.31 116.97 123.64 1yae h TYR 521 Ca -0.41 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.54 1yae h TYR 521 Cb 1.26 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.79 1yae h TYR 521 CO 0.79 -0.40 -0.12 0.28 -1.64 0.00 0.00 178.16 177.08 1yae h VAL 522 N -0.53 0.61 -0.88 1.81 2.07 -2.00 -2.27 116.25 115.06 1yae h VAL 522 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1yae h VAL 522 Cb 0.54 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1yae h VAL 522 CO -0.14 0.00 0.50 0.03 0.02 0.00 0.00 177.57 177.98 1yae h ARG 523 N -0.07 1.21 0.00 1.57 3.08 -1.90 -2.84 114.38 115.43 1yae h ARG 523 Ca 0.15 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1yae h ARG 523 Cb 0.29 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1yae h ARG 523 CO -0.34 0.88 -0.15 1.49 -1.07 0.00 0.00 179.97 180.78 1yae h GLU 524 N 1.22 0.00 0.00 0.04 4.57 -0.38 -1.53 114.58 118.51 1yae h GLU 524 Ca 0.31 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 1yae h GLU 524 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1yae h GLU 524 CO -0.05 0.15 -0.10 0.87 -1.18 0.00 0.00 179.01 178.69 1yae h LYS 525 N 0.00 0.00 0.00 1.92 1.57 -1.19 -3.26 116.57 115.61 1yae h LYS 525 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1yae h LYS 525 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1yae h LYS 525 CO 0.02 0.10 -1.38 1.33 -0.57 0.00 0.00 179.45 178.95 1yae n VAL 526 N -4.24 0.07 -4.26 0.50 0.24 -0.97 -5.04 118.33 104.63 1yae n VAL 526 Ca -0.03 -0.20 -0.19 0.00 -2.04 0.00 0.00 64.34 61.89 1yae n VAL 526 Cb 0.18 0.15 -0.11 0.00 -1.47 0.00 0.00 33.84 32.59 1yae n VAL 526 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1yae s ILE 527 N -2.49 1.43 0.04 1.34 1.10 -0.61 -4.04 121.20 117.97 1yae s ILE 527 Ca -0.03 -1.72 -0.12 0.00 -0.51 0.00 0.00 60.65 58.27 1yae s ILE 527 Cb 0.05 -1.57 -0.06 0.00 0.15 0.00 0.00 42.46 41.03 1yae s ILE 527 CO 0.32 -0.37 0.40 -1.81 -2.11 0.00 0.00 174.94 171.38 1yae s ASP 528 N -2.42 6.72 0.13 4.50 1.01 0.41 -4.30 116.67 122.72 1yae s ASP 528 Ca 0.09 0.87 0.10 0.00 0.71 0.00 0.00 52.55 54.33 1yae s ASP 528 Cb -0.06 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1yae s ASP 528 CO 0.04 0.25 -0.23 -0.36 0.21 0.00 0.00 175.17 175.07 1yae s PHE 529 N -1.24 2.39 0.99 4.23 0.08 -1.26 -0.01 117.98 123.17 1yae s PHE 529 Ca 0.28 -0.34 -0.15 0.00 0.12 0.00 0.00 56.93 56.84 1yae s PHE 529 Cb -0.15 -1.27 0.19 0.00 -0.57 0.00 0.00 43.02 41.21 1yae s PHE 529 CO 0.15 0.37 1.18 -1.54 -0.10 0.00 0.00 175.22 175.28 1yae s SER 530 N -2.15 2.79 0.60 1.36 1.04 0.49 -4.97 113.70 112.85 1yae s SER 530 Ca 0.16 0.71 -0.17 0.00 0.48 0.00 0.00 55.95 57.13 1yae s SER 530 Cb -0.10 -1.07 -0.03 0.00 0.10 0.00 0.00 66.02 64.92 1yae s SER 530 CO 0.08 -2.98 1.10 -0.54 0.98 0.00 0.00 173.24 171.88 1yae s LYS 531 N -5.46 3.14 0.32 4.02 1.02 -1.26 -4.56 119.74 116.95 1yae s LYS 531 Ca 0.68 1.42 -0.29 0.00 0.02 0.00 0.00 55.97 57.81 1yae s LYS 531 Cb -0.11 -1.99 -0.13 0.00 -0.52 0.00 0.00 37.83 35.08 1yae s LYS 531 CO 0.54 -0.98 1.30 -2.30 -0.92 0.00 0.00 175.35 172.99 1yae n PRO 532 N -1.89 2.08 0.00 -1.68 -0.02 -1.26 -4.52 135.00 127.71 1yae n PRO 532 Ca 0.10 0.73 0.11 0.00 -2.02 0.00 0.00 63.50 62.42 1yae n PRO 532 Cb 0.52 -2.32 0.03 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.65 0.00 -3.77 6.00 1.16 0.13 -4.91 117.46 116.72 1yae n PHE 533 Ca 0.06 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.52 1yae n PHE 533 Cb 0.35 -0.09 -0.11 0.00 -1.61 0.00 0.00 39.48 38.02 1yae n PHE 533 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1yae s MET 534 N -2.97 0.32 0.02 3.97 -1.94 -1.20 -5.03 119.30 112.48 1yae s MET 534 Ca 0.10 0.43 0.05 0.00 -1.71 0.00 0.00 55.69 54.56 1yae s MET 534 Cb 0.17 0.12 -0.03 0.00 2.01 0.00 0.00 34.83 37.10 1yae s MET 534 CO 0.79 -0.06 -0.13 0.95 -0.01 0.00 0.00 175.02 176.56 1yae s THR 535 N 0.33 3.18 0.00 2.05 -4.23 -1.26 -1.25 115.64 114.46 1yae s THR 535 Ca -0.02 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1yae s THR 535 Cb -0.03 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1yae s THR 535 CO -0.01 0.37 0.00 0.00 -0.54 0.00 0.00 174.62 174.44 1yae n LEU 536 N 1.58 0.00 -3.60 4.79 -0.00 -0.98 -4.92 117.00 113.87 1yae n LEU 536 Ca -0.16 0.00 -0.04 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 0.28 0.00 0.88 -0.83 -0.00 0.00 0.00 177.39 177.73 1yae s GLY 537 N -0.41 -0.36 0.31 1.47 0.00 -1.26 -0.84 107.32 106.23 1yae s GLY 537 Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 44.72 45.42 1yae s GLY 537 CO 0.00 0.30 1.20 -0.42 0.00 0.00 0.00 173.10 174.18 1yae s ILE 538 N -2.76 3.10 0.12 0.90 1.01 -1.26 -0.09 121.20 122.22 1yae s ILE 538 Ca 0.10 1.11 0.01 0.00 0.00 0.00 0.00 60.65 61.86 1yae s ILE 538 Cb 0.00 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 1yae s ILE 538 CO -0.04 0.27 0.15 -0.24 0.00 0.00 0.00 174.94 175.07 1yae n SER 539 N 0.99 -0.40 -4.51 3.58 2.88 -0.02 0.12 113.62 116.26 1yae n SER 539 Ca -0.01 -1.70 -0.34 0.00 -1.33 0.00 0.00 58.87 55.50 1yae n SER 539 Cb 0.43 0.78 -0.12 0.00 -0.75 0.00 0.00 64.21 64.56 1yae n SER 539 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1yae s ILE 540 N -2.53 3.71 -0.18 2.46 1.01 -1.24 -1.76 121.20 122.67 1yae s ILE 540 Ca 0.12 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 1yae s ILE 540 Cb 0.00 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 1yae s ILE 540 CO 0.08 0.54 -0.11 -0.22 0.00 0.00 0.00 174.94 175.23 1yae s LEU 541 N -0.07 2.65 0.26 2.97 1.98 -0.13 -0.99 118.68 125.35 1yae s LEU 541 Ca 0.01 -0.43 -0.15 0.00 -2.89 0.00 0.00 54.13 50.66 1yae s LEU 541 Cb -0.13 -1.63 0.00 0.00 0.66 0.00 0.00 46.19 45.09 1yae s LEU 541 CO 0.03 0.05 0.56 -0.47 -1.89 0.00 0.00 176.35 174.63 1yae s TYR 542 N 1.03 0.19 -0.08 5.38 5.04 -0.39 -1.53 117.35 126.98 1yae s TYR 542 Ca -0.01 -0.58 -0.05 0.00 -2.44 0.00 0.00 57.07 53.99 1yae s TYR 542 Cb -0.15 0.37 -0.04 0.00 0.35 0.00 0.00 41.96 42.49 1yae s TYR 542 CO -0.02 -1.09 0.13 -0.98 -1.34 0.00 0.00 175.55 172.25 1yae s ARG 543 N -3.94 3.35 -0.17 4.97 1.70 -1.26 0.16 118.95 123.77 1yae s ARG 543 Ca 0.19 -0.24 -0.29 0.00 -0.47 0.00 0.00 55.73 54.92 1yae s ARG 543 Cb -0.03 -3.09 -0.02 0.00 -0.57 0.00 0.00 34.95 31.24 1yae s ARG 543 CO 0.09 0.74 1.43 0.15 -1.08 0.00 0.00 175.30 176.62 1yae s LYS 544 N -1.28 4.09 0.00 3.89 1.02 -1.26 -4.95 119.74 121.25 1yae s LYS 544 Ca 0.18 1.73 0.00 0.00 0.02 0.00 0.00 55.97 57.90 1yae s LYS 544 Cb -0.12 -3.89 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 1yae s LYS 544 CO 0.08 -0.92 0.00 -0.89 -0.92 0.00 0.00 175.35 172.70 1yae n ILE 668 N 5.72 -1.93 -0.12 2.17 -0.00 -1.26 -5.17 119.36 118.77 1yae n ILE 668 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.91 1yae n ILE 668 Cb 0.45 -2.71 0.00 0.00 -0.00 0.00 0.00 39.64 37.37 1yae n ILE 668 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1yae n ASP 669 N 0.00 0.00 -3.43 4.38 2.03 -1.26 -4.97 116.55 113.31 1yae n ASP 669 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1yae n ASP 669 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1yae n ASP 669 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1yae s SER 670 N 0.00 0.03 0.41 1.67 1.04 -1.26 -3.08 113.70 112.51 1yae s SER 670 Ca 0.00 -0.99 0.18 0.00 0.48 0.00 0.00 55.95 55.62 1yae s SER 670 Cb 0.00 0.75 0.90 0.00 0.10 0.00 0.00 66.02 67.77 1yae s SER 670 CO 0.00 -1.45 1.87 0.00 0.98 0.00 0.00 173.24 174.64 1yae h ALA 671 N 2.05 1.25 0.27 5.32 0.00 -1.96 -1.81 119.26 124.39 1yae h ALA 671 Ca -0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1yae h ALA 671 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1yae h ALA 671 CO 0.34 0.38 -0.24 -0.44 0.00 0.00 0.00 179.25 179.29 1yae h ASP 672 N 0.00 -0.63 -0.68 0.00 5.19 -1.96 -1.55 116.42 116.79 1yae h ASP 672 Ca -0.00 0.05 0.12 0.00 -0.62 0.00 0.00 57.03 56.58 1yae h ASP 672 Cb 0.64 0.21 -0.08 0.00 0.18 0.00 0.00 39.33 40.27 1yae h ASP 672 CO 0.04 -0.36 0.26 0.44 -3.12 0.00 0.00 179.24 176.50 1yae h ASP 673 N -0.53 0.24 -0.06 6.45 5.19 -1.77 -1.64 116.42 124.29 1yae h ASP 673 Ca -0.01 0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1yae h ASP 673 Cb 0.48 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 1yae h ASP 673 CO -0.03 0.11 0.00 -0.07 -3.12 0.00 0.00 179.24 176.13 1yae h LEU 674 N 0.42 -0.02 -0.37 1.55 3.38 -1.22 -2.72 115.31 116.33 1yae h LEU 674 Ca 0.36 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1yae h LEU 674 Cb 0.50 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1yae h LEU 674 CO -0.36 0.00 0.22 0.00 0.09 0.00 0.00 178.44 178.39 1yae h ALA 675 N 1.05 0.48 -0.15 1.53 0.00 -0.37 -3.04 119.26 118.74 1yae h ALA 675 Ca 0.03 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1yae h ALA 675 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1yae h ALA 675 CO -0.04 -0.02 -0.59 0.87 0.00 0.00 0.00 179.25 179.46 1yae h LYS 676 N 0.48 0.51 -7.19 0.00 6.56 -1.45 -3.46 116.57 112.02 1yae h LYS 676 Ca 0.13 -0.34 -0.48 0.00 -1.06 0.00 0.00 60.65 58.91 1yae h LYS 676 Cb 0.02 0.05 0.03 0.00 -0.57 0.00 0.00 32.23 31.75 1yae h LYS 676 CO -0.02 0.95 0.38 1.14 -2.06 0.00 0.00 179.45 179.83 1yae s GLN 677 N -3.90 3.81 -0.25 3.15 1.03 -1.03 -5.02 119.66 117.46 1yae s GLN 677 Ca -0.07 1.02 -0.01 0.00 0.04 0.00 0.00 55.36 56.35 1yae s GLN 677 Cb 0.11 -2.11 -0.15 0.00 0.03 0.00 0.00 33.01 30.89 1yae s GLN 677 CO 0.84 -0.39 -0.24 0.25 -2.54 0.00 0.00 175.29 173.21 1yae n THR 678 N -1.65 1.40 0.00 3.63 -2.24 -1.26 -4.87 114.28 109.28 1yae n THR 678 Ca 0.07 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1yae n THR 678 Cb 0.54 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 1yae n THR 678 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1yae n LYS 679 N -3.37 0.00 -1.55 -0.78 4.01 -1.26 -4.78 118.16 110.42 1yae n LYS 679 Ca -0.44 0.00 -0.55 0.00 -0.51 0.00 0.00 58.31 56.81 1yae n LYS 679 Cb 0.94 -0.77 -0.08 0.00 -0.51 0.00 0.00 35.03 34.62 1yae n LYS 679 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1yae n ILE 680 N -0.47 0.23 -2.24 -0.18 2.08 -1.26 -4.95 119.36 112.58 1yae n ILE 680 Ca 0.00 -0.13 -0.32 0.00 0.56 0.00 0.00 62.75 62.86 1yae n ILE 680 Cb 0.00 -1.32 -0.01 0.00 -0.75 0.00 0.00 39.64 37.55 1yae n ILE 680 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1yae s GLU 681 N 4.90 3.67 0.01 0.38 2.02 -1.12 -4.85 118.70 123.70 1yae s GLU 681 Ca 1.05 1.07 -0.10 0.00 0.02 0.00 0.00 54.97 57.01 1yae s GLU 681 Cb -1.03 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 31.12 1yae s GLU 681 CO 0.59 -0.51 0.19 1.52 0.02 0.00 0.00 175.26 177.07 1yae s TYR 682 N -2.55 -0.01 0.13 1.61 -0.85 -1.26 -0.50 117.35 113.92 1yae s TYR 682 Ca 0.61 -0.06 -0.09 0.00 -0.52 0.00 0.00 57.07 57.00 1yae s TYR 682 Cb -0.13 -0.01 0.03 0.00 0.38 0.00 0.00 41.96 42.24 1yae s TYR 682 CO 0.34 -0.34 0.46 0.41 -1.52 0.00 0.00 175.55 174.89 1yae n GLY 683 N 1.24 1.19 3.35 5.49 0.00 -1.01 -4.82 105.19 110.62 1yae n GLY 683 Ca -0.22 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.52 1.49 0.00 4.61 0.00 -1.26 -0.35 121.76 124.74 1yae s ALA 684 Ca 0.10 -1.89 -0.30 0.00 0.00 0.00 0.00 51.96 49.87 1yae s ALA 684 Cb -0.02 1.37 -0.05 0.00 0.00 0.00 0.00 23.12 24.42 1yae s ALA 684 CO 0.04 -0.70 1.31 0.08 0.00 0.00 0.00 175.76 176.48 1yae s VAL 685 N -3.32 3.89 0.19 0.00 1.01 -1.26 -1.60 120.40 119.32 1yae s VAL 685 Ca 0.37 1.29 -0.31 0.00 0.00 0.00 0.00 61.98 63.33 1yae s VAL 685 Cb 0.02 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1yae s VAL 685 CO 0.25 0.02 1.48 -0.70 0.00 0.00 0.00 175.10 176.16 1yae s GLU 686 N 2.00 4.26 -0.52 2.72 2.12 -0.13 -2.50 118.70 126.64 1yae s GLU 686 Ca 0.61 2.29 0.00 0.00 0.36 0.00 0.00 54.97 58.22 1yae s GLU 686 Cb -0.30 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1yae s GLU 686 CO 0.26 -0.50 0.00 -0.25 -0.54 0.00 0.00 175.26 174.23 1yae n ASP 687 N 3.25 -4.67 -4.95 -1.70 8.00 -1.26 -5.00 116.55 110.23 1yae n ASP 687 Ca 0.10 0.12 -0.21 0.00 0.71 0.00 0.00 54.79 55.52 1yae n ASP 687 Cb 0.40 -2.60 0.04 0.00 -0.02 0.00 0.00 41.12 38.94 1yae n ASP 687 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1yae s GLY 688 N -2.34 1.83 0.36 0.44 0.00 -1.04 -4.77 107.32 101.79 1yae s GLY 688 Ca 0.00 -1.46 0.06 0.00 0.00 0.00 0.00 44.72 43.32 1yae s GLY 688 CO 0.00 -1.15 1.95 0.00 0.00 0.00 0.00 173.10 173.90 1yae h ALA 689 N 0.09 1.70 -0.03 3.20 0.00 -1.95 0.10 119.26 122.38 1yae h ALA 689 Ca -0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1yae h ALA 689 Cb 1.29 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1yae h ALA 689 CO 0.49 0.17 0.02 1.15 0.00 0.00 0.00 179.25 181.08 1yae h THR 690 N 0.77 1.04 0.54 0.00 2.02 -1.94 -0.74 112.91 114.60 1yae h THR 690 Ca 0.33 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.37 1yae h THR 690 Cb 0.29 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1yae h THR 690 CO -0.11 0.03 -0.27 -0.03 0.37 0.00 0.00 175.52 175.51 1yae h MET 691 N -0.00 -0.72 -0.94 6.66 -1.53 -1.50 -2.94 114.93 113.96 1yae h MET 691 Ca 0.01 0.05 0.28 0.00 -3.44 0.00 0.00 59.70 56.60 1yae h MET 691 Cb 0.04 0.16 -0.15 0.00 -0.55 0.00 0.00 31.60 31.10 1yae h MET 691 CO -0.00 -0.48 0.32 1.15 0.14 0.00 0.00 176.91 178.04 1yae h THR 692 N -0.74 0.23 -0.86 -0.77 2.02 -0.72 0.37 112.91 112.44 1yae h THR 692 Ca -0.07 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1yae h THR 692 Cb 0.58 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1yae h THR 692 CO 0.11 0.03 0.50 0.15 0.37 0.00 0.00 175.52 176.69 1yae h PHE 693 N 0.18 1.16 -0.14 3.16 3.57 -0.96 -1.43 116.94 122.48 1yae h PHE 693 Ca 0.64 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.95 1yae h PHE 693 Cb 1.39 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1yae h PHE 693 CO -0.21 0.79 -0.63 0.74 -2.23 0.00 0.00 178.31 176.76 1yae h PHE 694 N 1.19 0.66 -0.49 0.41 -1.00 -0.14 -0.55 116.94 117.02 1yae h PHE 694 Ca 0.31 -0.26 0.07 0.00 2.81 0.00 0.00 57.97 60.90 1yae h PHE 694 Cb -0.01 -0.11 -0.06 0.00 3.61 0.00 0.00 35.95 39.37 1yae h PHE 694 CO 0.00 1.01 0.16 -0.22 -1.61 0.00 0.00 178.31 177.65 1yae h LYS 695 N 0.37 0.31 -0.28 1.51 3.64 -1.18 -3.27 116.57 117.68 1yae h LYS 695 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1yae h LYS 695 Cb 1.19 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1yae h LYS 695 CO 0.12 0.21 0.00 1.63 -2.27 0.00 0.00 179.45 179.13 1yae n LYS 696 N -5.03 2.19 -2.11 1.90 5.02 -0.56 -4.95 118.16 114.62 1yae n LYS 696 Ca 0.05 -2.03 -0.42 0.00 -2.02 0.00 0.00 58.31 53.89 1yae n LYS 696 Cb 0.20 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1yae n LYS 696 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1yae s SER 697 N -1.37 6.76 0.38 4.39 0.01 -0.24 -4.94 113.70 118.69 1yae s SER 697 Ca 0.31 2.30 0.26 0.00 1.31 0.00 0.00 55.95 60.13 1yae s SER 697 Cb 0.19 -2.57 0.68 0.00 0.21 0.00 0.00 66.02 64.53 1yae s SER 697 CO 0.26 -0.75 1.72 0.11 0.41 0.00 0.00 173.24 175.00 1yae h LYS 698 N 7.59 0.00 -6.64 12.44 1.79 -1.92 -3.37 116.57 126.46 1yae h LYS 698 Ca -0.41 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.54 1yae h LYS 698 Cb 1.19 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.87 1yae h LYS 698 CO 0.90 0.00 0.61 0.42 -1.08 0.00 0.00 179.45 180.30 1yae s ILE 699 N -3.26 3.45 0.09 1.86 1.09 -1.26 -4.85 121.20 118.32 1yae s ILE 699 Ca 0.07 1.17 -0.18 0.00 -1.10 0.00 0.00 60.65 60.61 1yae s ILE 699 Cb 0.08 -3.75 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 1yae s ILE 699 CO 0.61 0.16 1.30 0.77 -0.10 0.00 0.00 174.94 177.68 1yae h SER 700 N 5.63 -1.17 -0.31 3.58 4.64 -1.97 0.85 113.55 124.80 1yae h SER 700 Ca -0.44 0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1yae h SER 700 Cb 1.21 0.51 -0.02 0.00 -0.31 0.00 0.00 62.40 63.80 1yae h SER 700 CO 0.78 -0.16 0.19 0.71 -0.87 0.00 0.00 176.83 177.48 1yae h THR 701 N -0.06 1.09 0.15 2.95 1.35 -1.97 0.20 112.91 116.61 1yae h THR 701 Ca 0.08 -0.20 -0.33 0.00 -0.55 0.00 0.00 66.41 65.41 1yae h THR 701 Cb 0.26 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1yae h THR 701 CO -0.47 0.09 -1.68 1.88 -0.25 0.00 0.00 175.52 175.09 1yae h TYR 702 N 0.44 0.56 -0.01 4.73 0.05 -1.78 -3.28 116.97 117.67 1yae h TYR 702 Ca 0.12 -0.41 -0.00 0.00 0.05 0.00 0.00 58.73 58.49 1yae h TYR 702 Cb -0.02 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 1yae h TYR 702 CO 0.00 1.54 0.01 0.22 -1.05 0.00 0.00 178.16 178.87 1yae h ASP 703 N 0.08 0.02 -0.86 3.88 3.58 0.11 -2.76 116.42 120.47 1yae h ASP 703 Ca -0.31 -0.16 0.22 0.00 0.42 0.00 0.00 57.03 57.20 1yae h ASP 703 Cb 2.06 -0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.97 1yae h ASP 703 CO 0.16 0.17 0.28 0.50 -2.88 0.00 0.00 179.24 177.47 1yae h LYS 704 N -0.13 0.28 -0.32 0.28 3.64 -0.77 -1.53 116.57 118.01 1yae h LYS 704 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1yae h LYS 704 Cb 0.16 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1yae h LYS 704 CO -0.00 0.18 -0.10 0.52 -2.27 0.00 0.00 179.45 177.79 1yae h MET 705 N 0.28 0.53 -0.53 1.90 2.86 -1.55 -2.67 114.93 115.74 1yae h MET 705 Ca 0.53 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.98 1yae h MET 705 Cb 1.03 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1yae h MET 705 CO -0.59 0.62 0.15 2.35 1.06 0.00 0.00 176.91 180.51 1yae h TRP 706 N 0.49 0.87 -0.39 -0.22 2.91 -1.03 -1.80 115.95 116.78 1yae h TRP 706 Ca 0.09 -0.10 0.07 0.00 1.13 0.00 0.00 58.89 60.09 1yae h TRP 706 Cb 0.47 -0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 28.81 1yae h TRP 706 CO 0.02 0.75 0.01 0.00 -1.03 0.00 0.00 178.44 178.19 1yae h ALA 707 N 1.02 0.36 0.21 2.65 0.00 -1.19 0.23 119.26 122.53 1yae h ALA 707 Ca 0.17 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1yae h ALA 707 Cb 0.30 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1yae h ALA 707 CO -0.00 -0.39 -0.45 0.35 0.00 0.00 0.00 179.25 178.76 1yae h PHE 708 N 0.11 -1.28 -0.43 0.00 3.04 -1.18 -1.58 116.94 115.62 1yae h PHE 708 Ca 0.19 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.08 1yae h PHE 708 Cb 0.26 0.53 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 1yae h PHE 708 CO -0.25 -0.56 -0.09 0.52 -2.02 0.00 0.00 178.31 175.91 1yae h MET 709 N -0.75 0.76 0.03 1.11 2.86 -1.11 -2.67 114.93 115.17 1yae h MET 709 Ca -0.00 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1yae h MET 709 Cb 0.73 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1yae h MET 709 CO -0.21 0.83 -0.02 1.03 1.06 0.00 0.00 176.91 179.61 1yae h SER 710 N 0.70 -0.04 -0.68 1.22 0.87 -0.41 -1.13 113.55 114.09 1yae h SER 710 Ca 0.12 -0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.81 1yae h SER 710 Cb 0.55 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 1yae h SER 710 CO 0.03 -0.02 0.46 -1.28 -0.53 0.00 0.00 176.83 175.49 1yae h SER 711 N -0.05 0.37 -0.71 6.23 0.87 -1.18 -2.79 113.55 116.30 1yae h SER 711 Ca -0.00 0.01 -0.50 0.00 -1.23 0.00 0.00 61.79 60.07 1yae h SER 711 Cb 0.04 -0.06 -0.34 0.00 -0.44 0.00 0.00 62.40 61.59 1yae h SER 711 CO 0.01 0.21 -0.38 0.54 -0.53 0.00 0.00 176.83 176.67 1yae n ARG 712 N -4.47 3.12 -0.22 2.24 1.74 -0.92 -4.89 116.66 113.25 1yae n ARG 712 Ca 0.12 -3.84 -0.03 0.00 -0.77 0.00 0.00 57.85 53.33 1yae n ARG 712 Cb 0.46 -2.19 0.03 0.00 -1.02 0.00 0.00 32.46 29.73 1yae n ARG 712 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1yae h ARG 713 N 1.94 -0.11 0.00 5.56 9.65 -0.94 -1.07 114.38 129.41 1yae h ARG 713 Ca 0.38 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 59.21 1yae h ARG 713 Cb 1.38 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.98 1yae h ARG 713 CO 0.84 -0.07 -0.29 1.96 2.80 0.00 0.00 179.97 185.21 1yae h GLN 714 N -0.11 0.00 0.00 0.20 7.50 -1.89 -2.75 115.11 118.06 1yae h GLN 714 Ca 0.27 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 59.15 1yae h GLN 714 Cb 0.55 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.03 1yae h GLN 714 CO -0.71 0.29 -2.21 -1.13 -1.50 0.00 0.00 178.83 173.57 1yae n SER 715 N -3.30 0.09 -0.12 1.46 3.41 -0.99 -4.69 113.62 109.48 1yae n SER 715 Ca 0.01 0.04 -0.23 0.00 -0.26 0.00 0.00 58.87 58.43 1yae n SER 715 Cb 0.54 1.14 -0.11 0.00 -0.26 0.00 0.00 64.21 65.52 1yae n SER 715 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1yae n VAL 716 N -2.66 1.53 -2.53 -3.33 0.31 -0.44 -4.95 118.33 106.27 1yae n VAL 716 Ca -0.24 -0.48 -0.41 0.00 -0.01 0.00 0.00 64.34 63.19 1yae n VAL 716 Cb 1.00 -1.65 -0.04 0.00 -0.91 0.00 0.00 33.84 32.24 1yae n VAL 716 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1yae s LEU 717 N -6.99 4.45 0.36 7.52 1.43 -1.04 -4.39 118.68 120.01 1yae s LEU 717 Ca -0.35 2.01 0.07 0.00 -1.03 0.00 0.00 54.13 54.83 1yae s LEU 717 Cb 0.11 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 1yae s LEU 717 CO 0.58 -0.27 0.39 -0.69 0.23 0.00 0.00 176.35 176.59 1yae s VAL 718 N 0.21 3.50 -0.06 -1.59 1.01 -0.62 -4.87 120.40 117.98 1yae s VAL 718 Ca 0.52 -1.20 0.21 0.00 0.00 0.00 0.00 61.98 61.51 1yae s VAL 718 Cb -0.28 -3.20 -0.31 0.00 0.00 0.00 0.00 36.38 32.59 1yae s VAL 718 CO 0.32 -0.12 0.47 1.17 0.00 0.00 0.00 175.10 176.94 1yae n LYS 719 N -1.54 0.66 -3.80 2.72 3.00 -1.26 -0.96 118.16 116.98 1yae n LYS 719 Ca 0.01 -0.15 -0.08 0.00 -0.00 0.00 0.00 58.31 58.09 1yae n LYS 719 Cb 0.59 -1.54 -0.02 0.00 0.00 0.00 0.00 35.03 34.06 1yae n LYS 719 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1yae s SER 720 N -4.71 -0.30 0.13 3.14 1.04 -1.26 -4.79 113.70 106.95 1yae s SER 720 Ca -0.08 -0.54 -0.21 0.00 0.48 0.00 0.00 55.95 55.61 1yae s SER 720 Cb 0.13 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.94 1yae s SER 720 CO 0.89 -1.28 1.67 0.78 0.98 0.00 0.00 173.24 176.28 1yae h ASN 721 N 2.02 -0.42 -0.54 7.02 2.35 -1.99 -1.71 115.58 122.30 1yae h ASN 721 Ca -0.22 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1yae h ASN 721 Cb 1.26 0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.81 1yae h ASN 721 CO 0.26 -0.17 0.25 1.05 -1.65 0.00 0.00 177.43 177.17 1yae h GLU 722 N -0.13 0.83 -0.81 0.81 9.09 -1.99 -0.23 114.58 122.15 1yae h GLU 722 Ca 0.11 -0.12 -0.04 0.00 0.05 0.00 0.00 59.36 59.36 1yae h GLU 722 Cb 0.29 -0.15 -0.04 0.00 -1.65 0.00 0.00 28.75 27.20 1yae h GLU 722 CO -0.26 0.67 0.36 1.49 0.05 0.00 0.00 179.01 181.32 1yae h GLU 723 N 0.83 1.19 -0.07 1.06 4.81 -1.87 -1.21 114.58 119.31 1yae h GLU 723 Ca 0.20 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1yae h GLU 723 Cb 0.14 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1yae h GLU 723 CO -0.02 0.94 0.02 0.78 -0.73 0.00 0.00 179.01 180.00 1yae h GLY 724 N 1.18 0.13 0.72 1.92 0.00 -0.36 -1.56 103.07 105.10 1yae h GLY 724 Ca 0.28 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.54 1yae h GLY 724 CO -0.03 0.07 -0.14 -2.22 0.00 0.00 0.00 176.54 174.23 1yae h ILE 725 N -0.10 0.67 -0.85 2.60 2.04 -0.92 -1.01 117.51 119.94 1yae h ILE 725 Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 1yae h ILE 725 Cb 0.25 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1yae h ILE 725 CO 0.00 0.00 0.55 1.56 0.00 0.00 0.00 178.15 180.26 1yae h GLN 726 N -0.26 0.82 0.00 2.37 1.08 -1.25 -1.27 115.11 116.60 1yae h GLN 726 Ca 0.03 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1yae h GLN 726 Cb 0.29 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1yae h GLN 726 CO -0.10 0.54 0.00 -0.09 -0.95 0.00 0.00 178.83 178.23 1yae h ARG 727 N 0.84 0.00 0.10 1.46 1.12 -0.38 0.75 114.38 118.27 1yae h ARG 727 Ca 0.39 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 59.11 1yae h ARG 727 Cb 0.39 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.37 1yae h ARG 727 CO -0.16 0.00 -0.64 0.28 -3.11 0.00 0.00 179.97 176.34 1yae h VAL 728 N 0.00 1.56 -0.23 0.20 2.07 -0.12 -2.45 116.25 117.27 1yae h VAL 728 Ca 0.00 -2.45 -0.05 0.00 0.82 0.00 0.00 66.70 65.02 1yae h VAL 728 Cb 0.70 3.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.63 1yae h VAL 728 CO 0.00 0.69 -0.07 -0.07 0.02 0.00 0.00 177.57 178.14 1yae h LEU 729 N -0.46 0.33 0.01 2.57 3.38 -1.03 -3.33 115.31 116.78 1yae h LEU 729 Ca -0.11 -0.06 -0.36 0.00 0.09 0.00 0.00 57.88 57.44 1yae h LEU 729 Cb 1.49 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 1yae h LEU 729 CO 0.12 0.45 -2.26 0.35 0.09 0.00 0.00 178.44 177.19 1yae n THR 730 N -4.29 1.48 -2.86 0.22 -2.24 0.23 -5.01 114.28 101.82 1yae n THR 730 Ca 0.00 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1yae n THR 730 Cb 0.25 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1yae n THR 730 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1yae n SER 731 N -2.97 0.53 -4.15 3.42 7.64 -0.92 -5.06 113.62 112.11 1yae n SER 731 Ca -0.33 -0.60 -0.38 0.00 1.01 0.00 0.00 58.87 58.57 1yae n SER 731 Cb 1.10 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.24 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 -0.79 6.09 -0.02 6.43 2.15 -1.26 -4.78 116.67 124.49 1yae s ASP 732 Ca 0.00 -3.50 0.00 0.00 0.43 0.00 0.00 52.55 49.49 1yae s ASP 732 Cb 0.00 -1.96 0.02 0.00 -0.30 0.00 0.00 42.92 40.68 1yae s ASP 732 CO 0.00 -0.25 0.01 -0.47 -0.17 0.00 0.00 175.17 174.28 1yae s TYR 733 N -1.03 0.18 -0.24 -5.34 5.04 -1.26 -2.79 117.35 111.92 1yae s TYR 733 Ca 0.25 0.04 -0.12 0.00 -2.44 0.00 0.00 57.07 54.80 1yae s TYR 733 Cb -0.10 -0.28 -0.05 0.00 0.35 0.00 0.00 41.96 41.88 1yae s TYR 733 CO -0.10 -0.09 0.22 0.00 -1.34 0.00 0.00 175.55 174.25 1yae s ALA 734 N 0.80 3.59 -0.24 3.97 0.00 0.35 -4.57 121.76 125.66 1yae s ALA 734 Ca -0.07 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 1yae s ALA 734 Cb -0.11 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1yae s ALA 734 CO -0.02 -0.27 0.16 0.12 0.00 0.00 0.00 175.76 175.75 1yae s PHE 735 N 1.23 3.30 -0.75 0.00 5.36 -0.58 -2.40 117.98 124.14 1yae s PHE 735 Ca 0.10 0.19 -0.22 0.00 -0.96 0.00 0.00 56.93 56.04 1yae s PHE 735 Cb -0.14 -2.27 0.07 0.00 -0.34 0.00 0.00 43.02 40.34 1yae s PHE 735 CO 0.06 0.03 1.07 -0.51 -1.46 0.00 0.00 175.22 174.42 1yae s LEU 736 N 1.12 4.28 0.26 6.12 1.43 0.52 -0.96 118.68 131.46 1yae s LEU 736 Ca 0.07 -1.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.06 1yae s LEU 736 Cb -0.14 -2.45 -0.06 0.00 0.03 0.00 0.00 46.19 43.58 1yae s LEU 736 CO 0.05 -1.43 0.02 0.00 0.23 0.00 0.00 176.35 175.22 1yae s MET 737 N 4.10 1.45 0.02 1.70 0.23 -0.72 -4.49 119.30 121.59 1yae s MET 737 Ca 0.28 -1.76 -0.30 0.00 -1.03 0.00 0.00 55.69 52.87 1yae s MET 737 Cb -0.12 -0.68 -0.06 0.00 -1.53 0.00 0.00 34.83 32.44 1yae s MET 737 CO 0.06 -0.14 1.45 -1.21 -2.03 0.00 0.00 175.02 173.15 1yae s GLU 738 N -3.88 4.27 0.29 3.16 2.02 -1.26 -0.84 118.70 122.45 1yae s GLU 738 Ca 0.32 2.04 0.01 0.00 0.02 0.00 0.00 54.97 57.37 1yae s GLU 738 Cb 0.07 -3.56 0.72 0.00 0.10 0.00 0.00 34.13 31.46 1yae s GLU 738 CO 0.11 -0.60 1.61 0.66 0.02 0.00 0.00 175.26 177.06 1yae h SER 739 N 7.87 -0.26 -0.62 -0.19 4.64 -0.80 0.15 113.55 124.34 1yae h SER 739 Ca -0.39 0.24 0.12 0.00 -0.47 0.00 0.00 61.79 61.29 1yae h SER 739 Cb 1.18 0.38 -0.09 0.00 -0.31 0.00 0.00 62.40 63.57 1yae h SER 739 CO 0.91 -0.27 0.11 0.00 -0.87 0.00 0.00 176.83 176.71 1yae h THR 740 N 0.09 0.60 0.00 2.95 1.03 -1.91 0.36 112.91 116.02 1yae h THR 740 Ca 0.57 -0.08 -0.17 0.00 -0.01 0.00 0.00 66.41 66.72 1yae h THR 740 Cb 1.17 0.34 -0.02 0.00 -1.07 0.00 0.00 68.15 68.56 1yae h THR 740 CO -0.79 0.04 -0.81 0.74 -0.01 0.00 0.00 175.52 174.69 1yae h THR 741 N 0.23 1.47 0.08 0.00 2.02 -1.11 -3.19 112.91 112.40 1yae h THR 741 Ca 0.33 -2.89 -0.00 0.00 0.77 0.00 0.00 66.41 64.61 1yae h THR 741 Cb 0.51 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1yae h THR 741 CO -0.44 0.80 -0.04 0.40 0.37 0.00 0.00 175.52 176.61 1yae h ILE 742 N 0.00 0.98 -0.85 3.11 2.04 -0.47 -2.52 117.51 119.80 1yae h ILE 742 Ca -0.01 -0.21 0.24 0.00 1.00 0.00 0.00 64.86 65.89 1yae h ILE 742 Cb 1.55 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 1yae h ILE 742 CO 0.11 0.05 0.61 -0.08 0.00 0.00 0.00 178.15 178.83 1yae h GLU 743 N -0.20 0.02 0.03 2.37 4.81 -1.00 0.13 114.58 120.74 1yae h GLU 743 Ca -0.01 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1yae h GLU 743 Cb 0.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1yae h GLU 743 CO 0.02 0.01 -0.01 0.35 -0.73 0.00 0.00 179.01 178.65 1yae h PHE 744 N 0.02 -0.03 -0.04 0.92 3.57 -1.45 -3.28 116.94 116.64 1yae h PHE 744 Ca 0.40 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.80 1yae h PHE 744 Cb 1.59 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 1yae h PHE 744 CO -0.00 0.62 -0.47 0.28 -2.23 0.00 0.00 178.31 176.51 1yae h VAL 745 N -0.74 1.34 -0.73 1.41 2.07 -0.95 -3.16 116.25 115.49 1yae h VAL 745 Ca -0.00 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 1yae h VAL 745 Cb 0.67 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1yae h VAL 745 CO 0.01 0.48 0.44 0.74 0.02 0.00 0.00 177.57 179.25 1yae h THR 746 N 0.09 1.21 -0.12 2.57 2.02 -0.89 0.17 112.91 117.95 1yae h THR 746 Ca 0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1yae h THR 746 Cb 0.87 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1yae h THR 746 CO 0.07 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.17 1yae n GLN 747 N -4.52 1.33 0.00 6.66 6.02 -1.20 -3.79 117.38 121.89 1yae n GLN 747 Ca 0.07 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 1yae n GLN 747 Cb 0.06 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1yae n GLN 747 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1yae n ARG 748 N -0.11 2.83 -4.15 -1.09 0.63 -0.87 -3.14 116.66 110.76 1yae n ARG 748 Ca 0.04 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.73 1yae n ARG 748 Cb 0.14 -0.76 -0.17 0.00 0.45 0.00 0.00 32.46 32.12 1yae n ARG 748 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1yae s ASN 749 N -1.10 1.80 -0.01 6.15 3.84 -0.01 -5.05 114.94 120.57 1yae s ASN 749 Ca 0.00 -0.25 0.21 0.00 0.21 0.00 0.00 52.86 53.03 1yae s ASN 749 Cb 0.00 -0.74 0.63 0.00 -0.55 0.00 0.00 41.25 40.59 1yae s ASN 749 CO 0.00 -0.07 1.53 0.00 -2.79 0.00 0.00 177.10 175.77 1yae n ASN 751 N 1.52 3.78 -4.66 0.00 6.94 -1.26 -4.94 115.26 116.63 1yae n ASN 751 Ca 0.24 -2.29 -0.35 0.00 -0.02 0.00 0.00 54.58 52.16 1yae n ASN 751 Cb 0.62 -0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 37.52 1yae n ASN 751 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1yae s LEU 752 N -1.53 3.62 0.11 -4.53 1.43 -1.22 -4.07 118.68 112.49 1yae s LEU 752 Ca 0.38 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1yae s LEU 752 Cb 0.24 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1yae s LEU 752 CO 0.20 0.31 -0.09 -0.89 0.23 0.00 0.00 176.35 176.11 1yae s THR 753 N -0.47 0.91 0.02 5.49 2.01 0.12 -4.75 115.64 118.97 1yae s THR 753 Ca 0.09 -1.85 -0.22 0.00 0.31 0.00 0.00 61.69 60.02 1yae s THR 753 Cb -0.12 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 1yae s THR 753 CO 0.02 -0.72 0.65 -1.58 -0.69 0.00 0.00 174.62 172.30 1yae s GLN 754 N -3.39 4.37 -0.23 4.92 0.74 -1.26 -1.26 119.66 123.56 1yae s GLN 754 Ca 0.10 0.84 -0.06 0.00 0.05 0.00 0.00 55.36 56.30 1yae s GLN 754 Cb 0.01 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.76 1yae s GLN 754 CO -0.01 0.36 0.02 0.42 -0.55 0.00 0.00 175.29 175.52 1yae s ILE 755 N -0.20 3.97 0.02 -2.34 -1.09 -0.16 -4.98 121.20 116.43 1yae s ILE 755 Ca 0.33 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 1yae s ILE 755 Cb -0.19 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1yae s ILE 755 CO 0.19 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 1yae n GLY 756 N 4.69 -2.07 0.00 6.18 0.00 -1.18 -3.70 105.19 109.12 1yae n GLY 756 Ca -0.17 -1.42 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 -0.72 1.35 3.77 -0.02 0.00 -1.26 -4.86 105.19 103.45 1yae n GLY 757 Ca 0.00 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1yae n GLY 757 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1yae s LEU 758 N 0.00 4.33 -0.00 0.99 0.05 -1.26 -4.60 118.68 118.18 1yae s LEU 758 Ca 0.00 0.73 -0.23 0.00 0.05 0.00 0.00 54.13 54.68 1yae s LEU 758 Cb 0.00 -2.51 -0.19 0.00 -2.05 0.00 0.00 46.19 41.44 1yae s LEU 758 CO 0.00 0.16 1.23 0.40 -0.55 0.00 0.00 176.35 177.59 1yae h ILE 759 N 4.36 1.42 -3.95 1.48 2.04 0.56 -3.47 117.51 119.95 1yae h ILE 759 Ca -0.45 -1.46 -0.11 0.00 1.00 0.00 0.00 64.86 63.84 1yae h ILE 759 Cb 1.19 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.47 1yae h ILE 759 CO 0.70 0.41 -0.08 -0.90 0.00 0.00 0.00 178.15 178.28 1yae n ASP 760 N -4.61 1.92 -4.15 1.72 5.75 -1.26 -4.93 116.55 110.99 1yae n ASP 760 Ca -0.08 -1.37 -0.32 0.00 -0.01 0.00 0.00 54.79 53.01 1yae n ASP 760 Cb 0.38 0.09 -0.16 0.00 -1.03 0.00 0.00 41.12 40.39 1yae n ASP 760 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1yae s SER 761 N -1.45 3.05 0.26 -1.12 0.15 -1.26 -4.28 113.70 109.04 1yae s SER 761 Ca 0.01 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.09 1yae s SER 761 Cb 0.00 -1.42 -0.01 0.00 -1.71 0.00 0.00 66.02 62.89 1yae s SER 761 CO 0.01 0.05 0.29 1.17 1.20 0.00 0.00 173.24 175.96 1yae n LYS 762 N 4.22 0.42 -3.65 5.44 4.81 -0.02 -4.98 118.16 124.40 1yae n LYS 762 Ca -0.20 -2.36 -0.03 0.00 -0.87 0.00 0.00 58.31 54.85 1yae n LYS 762 Cb 0.51 2.08 -0.07 0.00 0.02 0.00 0.00 35.03 37.57 1yae n LYS 762 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1yae s GLY 763 N -2.72 0.32 0.20 3.14 0.00 -1.26 -2.31 107.32 104.68 1yae s GLY 763 Ca 0.27 3.44 -0.30 0.00 0.00 0.00 0.00 44.72 48.13 1yae s GLY 763 CO 0.19 1.87 0.96 -0.19 0.00 0.00 0.00 173.10 175.94 1yae s TYR 764 N -0.05 3.89 0.04 1.90 2.02 -0.38 -1.84 117.35 122.93 1yae s TYR 764 Ca 0.07 1.85 -0.05 0.00 -0.37 0.00 0.00 57.07 58.58 1yae s TYR 764 Cb -0.05 -3.04 -0.02 0.00 -0.40 0.00 0.00 41.96 38.46 1yae s TYR 764 CO -0.15 0.26 0.07 0.20 -1.57 0.00 0.00 175.55 174.37 1yae s GLY 765 N -0.75 0.22 -0.01 0.71 0.00 -1.20 -0.69 107.32 105.60 1yae s GLY 765 Ca 0.43 -0.68 -0.30 0.00 0.00 0.00 0.00 44.72 44.18 1yae s GLY 765 CO 0.32 -0.81 1.66 0.14 0.00 0.00 0.00 173.10 174.41 1yae s VAL 766 N -2.89 3.42 0.43 1.40 1.01 -1.26 -4.74 120.40 117.77 1yae s VAL 766 Ca -0.03 0.63 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 1yae s VAL 766 Cb 0.00 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 1yae s VAL 766 CO -0.06 -0.04 0.90 -0.83 0.00 0.00 0.00 175.10 175.07 1yae s GLY 767 N 3.11 2.24 -0.09 4.51 0.00 -0.37 -0.38 107.32 116.34 1yae s GLY 767 Ca 0.74 0.21 -0.23 0.00 0.00 0.00 0.00 44.72 45.44 1yae s GLY 767 CO 0.31 0.47 0.54 -1.08 0.00 0.00 0.00 173.10 173.34 1yae s THR 768 N -2.29 0.02 0.23 0.90 -1.32 0.99 -1.38 115.64 112.77 1yae s THR 768 Ca 0.59 -0.13 -0.32 0.00 -1.21 0.00 0.00 61.69 60.61 1yae s THR 768 Cb -0.10 -0.83 -0.13 0.00 -1.51 0.00 0.00 72.50 69.94 1yae s THR 768 CO 0.21 -0.07 1.60 -2.65 -2.21 0.00 0.00 174.62 171.49 1yae n PRO 769 N 1.59 2.48 -0.67 7.08 -0.02 -1.26 -0.45 135.00 143.75 1yae n PRO 769 Ca -0.18 0.89 -0.24 0.00 -2.02 0.00 0.00 63.50 61.95 1yae n PRO 769 Cb 0.56 -2.67 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 1yae n PRO 769 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1yae n MET 770 N 2.99 0.00 -0.30 -0.52 0.00 -1.26 -0.77 117.12 117.27 1yae n MET 770 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.83 1yae n MET 770 Cb 0.33 -0.72 0.00 0.00 0.00 0.00 0.00 33.22 32.83 1yae n MET 770 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1yae n GLY 771 N 3.34 0.83 3.77 -5.12 0.00 -1.26 -4.92 105.19 101.82 1yae n GLY 771 Ca 0.29 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.20 6.37 0.43 1.61 0.15 0.05 -4.90 113.70 115.21 1yae s SER 772 Ca 0.00 3.01 0.11 0.00 0.70 0.00 0.00 55.95 59.77 1yae s SER 772 Cb 0.00 -2.66 0.92 0.00 -1.71 0.00 0.00 66.02 62.57 1yae s SER 772 CO 0.00 -0.87 2.00 1.55 1.20 0.00 0.00 173.24 177.12 1yae h PRO 773 N 3.45 0.20 -0.40 5.44 0.13 -1.96 -3.24 132.00 135.61 1yae h PRO 773 Ca -0.50 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.53 1yae h PRO 773 Cb 1.23 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1yae h PRO 773 CO 0.68 0.27 -0.03 1.88 -0.23 0.00 0.00 178.00 180.57 1yae h TYR 774 N 0.20 0.69 -0.63 1.56 0.05 -1.98 -3.37 116.97 113.48 1yae h TYR 774 Ca 0.05 -0.09 0.08 0.00 0.05 0.00 0.00 58.73 58.81 1yae h TYR 774 Cb 0.23 -0.19 -0.06 0.00 1.01 0.00 0.00 36.73 37.71 1yae h TYR 774 CO 0.00 0.67 0.30 0.07 -1.05 0.00 0.00 178.16 178.15 1yae h ARG 775 N 0.61 0.52 -0.15 4.88 -0.00 -1.96 0.07 114.38 118.34 1yae h ARG 775 Ca 0.12 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.98 60.02 1yae h ARG 775 Cb 0.43 -0.12 -0.00 0.00 -0.00 0.00 0.00 29.97 30.28 1yae h ARG 775 CO 0.02 0.34 -0.08 -0.44 -0.00 0.00 0.00 179.97 179.81 1yae h ASP 776 N 0.53 0.34 -0.88 0.08 3.32 -1.83 -1.80 116.42 116.19 1yae h ASP 776 Ca 0.30 -0.42 0.15 0.00 0.02 0.00 0.00 57.03 57.08 1yae h ASP 776 Cb 0.30 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 1yae h ASP 776 CO -0.24 0.69 0.57 0.11 -1.72 0.00 0.00 179.24 178.64 1yae h LYS 777 N -0.01 0.65 -0.24 3.56 1.57 -1.59 -1.74 116.57 118.77 1yae h LYS 777 Ca 0.03 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1yae h LYS 777 Cb 0.56 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1yae h LYS 777 CO 0.02 0.43 -0.48 0.82 -0.57 0.00 0.00 179.45 179.68 1yae h ILE 778 N 0.67 1.30 -0.08 1.86 2.04 -0.82 -3.03 117.51 119.45 1yae h ILE 778 Ca 0.44 -1.68 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1yae h ILE 778 Cb 0.74 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1yae h ILE 778 CO -0.20 0.54 0.00 0.74 0.00 0.00 0.00 178.15 179.23 1yae h THR 779 N 0.47 0.95 -0.55 -0.27 2.02 -0.48 0.73 112.91 115.79 1yae h THR 779 Ca 0.01 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1yae h THR 779 Cb 1.08 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 1yae h THR 779 CO 0.11 0.01 0.19 0.40 0.37 0.00 0.00 175.52 176.59 1yae h ILE 780 N 0.03 0.79 -0.46 3.11 2.04 -1.50 0.23 117.51 121.76 1yae h ILE 780 Ca 0.04 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 1yae h ILE 780 Cb 0.04 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1yae h ILE 780 CO -0.06 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.17 1yae h ALA 781 N 1.38 1.14 -0.51 1.87 0.00 -1.21 0.18 119.26 122.11 1yae h ALA 781 Ca 0.27 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1yae h ALA 781 Cb 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1yae h ALA 781 CO -0.28 0.55 0.01 0.82 0.00 0.00 0.00 179.25 180.35 1yae h ILE 782 N 0.71 1.26 -0.37 0.00 2.04 0.13 -1.80 117.51 119.49 1yae h ILE 782 Ca 0.14 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 1yae h ILE 782 Cb 0.43 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1yae h ILE 782 CO 0.02 0.38 0.02 -0.07 0.00 0.00 0.00 178.15 178.50 1yae h LEU 783 N 0.76 0.62 0.37 1.44 3.38 -0.33 -2.45 115.31 119.09 1yae h LEU 783 Ca 0.14 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1yae h LEU 783 Cb 0.51 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1yae h LEU 783 CO 0.02 0.76 -0.43 -0.61 0.09 0.00 0.00 178.44 178.27 1yae h GLN 784 N 0.46 -0.78 -1.25 1.13 4.15 -0.59 -1.87 115.11 116.35 1yae h GLN 784 Ca 0.11 0.05 0.37 0.00 0.77 0.00 0.00 58.65 59.95 1yae h GLN 784 Cb 0.43 0.18 -0.10 0.00 0.21 0.00 0.00 27.48 28.19 1yae h GLN 784 CO 0.01 -0.52 0.83 -0.07 -1.93 0.00 0.00 178.83 177.15 1yae h LEU 785 N -0.81 0.26 0.68 -2.39 3.38 -1.33 -2.14 115.31 112.96 1yae h LEU 785 Ca -0.04 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1yae h LEU 785 Cb 0.72 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1yae h LEU 785 CO -0.09 -0.05 -0.33 -0.61 0.09 0.00 0.00 178.44 177.46 1yae h GLN 786 N 0.17 -0.88 0.00 1.13 -0.00 -0.85 -1.87 115.11 112.81 1yae h GLN 786 Ca 0.71 0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 59.41 1yae h GLN 786 Cb 2.24 0.20 -0.00 0.00 0.00 0.00 0.00 27.48 29.91 1yae h GLN 786 CO -0.28 -0.59 -0.04 1.05 0.00 0.00 0.00 178.83 178.96 1yae h GLU 787 N -1.20 0.00 0.00 1.69 4.11 -0.91 -0.26 114.58 118.01 1yae h GLU 787 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1yae h GLU 787 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1yae h GLU 787 CO 0.15 0.04 0.00 1.49 0.07 0.00 0.00 179.01 180.77 1yae h GLU 788 N 0.00 0.00 0.00 1.06 4.81 -1.43 -3.47 114.58 115.56 1yae h GLU 788 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1yae h GLU 788 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1yae h GLU 788 CO 0.01 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.70 1yae n GLY 789 N 0.66 0.73 0.30 1.92 0.00 -0.11 -4.98 105.19 103.71 1yae n GLY 789 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 3.94 -0.51 -0.07 1.61 1.79 -1.50 -2.35 116.57 119.49 1yae h LYS 790 Ca 0.00 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1yae h LYS 790 Cb 0.00 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1yae h LYS 790 CO 0.00 -0.34 -0.01 -0.07 -1.08 0.00 0.00 179.45 177.95 1yae h LEU 791 N -0.52 0.08 -0.34 2.94 3.38 -1.80 -1.58 115.31 117.46 1yae h LEU 791 Ca 0.01 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1yae h LEU 791 Cb 0.52 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1yae h LEU 791 CO -0.12 0.12 -0.13 -0.74 0.09 0.00 0.00 178.44 177.66 1yae h HIS 792 N 0.10 0.79 0.04 1.13 2.76 -1.78 -1.91 115.15 116.27 1yae h HIS 792 Ca 0.02 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 58.01 1yae h HIS 792 Cb 0.09 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1yae h HIS 792 CO 0.00 0.88 -0.02 0.52 -1.30 0.00 0.00 177.93 178.01 1yae h MET 793 N 0.47 -0.05 -0.86 5.26 2.86 -0.79 -1.92 114.93 119.91 1yae h MET 793 Ca 0.08 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.80 1yae h MET 793 Cb 0.65 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.27 1yae h MET 793 CO 0.04 0.05 0.56 0.52 1.06 0.00 0.00 176.91 179.14 1yae h MET 794 N -0.13 0.87 -0.35 1.72 2.07 -1.38 0.50 114.93 118.23 1yae h MET 794 Ca -0.01 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.56 1yae h MET 794 Cb 0.12 -0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 29.64 1yae h MET 794 CO 0.01 0.58 0.16 -0.22 1.07 0.00 0.00 176.91 178.51 1yae h LYS 795 N 0.90 0.52 -0.08 1.72 3.11 -1.12 -2.37 116.57 119.25 1yae h LYS 795 Ca 0.38 -0.08 -0.09 0.00 -2.81 0.00 0.00 60.65 58.05 1yae h LYS 795 Cb 0.30 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1yae h LYS 795 CO -0.15 0.48 -0.34 1.49 -2.81 0.00 0.00 179.45 178.12 1yae h GLU 796 N 0.43 0.16 -0.30 1.90 4.57 -0.40 -2.21 114.58 118.74 1yae h GLU 796 Ca 0.12 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1yae h GLU 796 Cb 0.14 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1yae h GLU 796 CO -0.01 0.49 0.07 -0.22 -1.18 0.00 0.00 179.01 178.16 1yae h LYS 797 N 0.14 0.48 0.00 1.92 3.64 0.34 -2.61 116.57 120.49 1yae h LYS 797 Ca 0.02 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1yae h LYS 797 Cb 0.68 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1yae h LYS 797 CO 0.05 0.56 -0.92 0.91 -2.27 0.00 0.00 179.45 177.78 1yae n TRP 798 N -4.66 0.14 -0.01 1.91 7.02 -0.93 -4.34 117.44 116.57 1yae n TRP 798 Ca -0.02 0.04 0.05 0.00 -1.02 0.00 0.00 57.50 56.55 1yae n TRP 798 Cb 0.19 -0.30 -0.09 0.00 -2.42 0.00 0.00 31.31 28.69 1yae n TRP 798 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1yae n TRP 799 N -1.76 0.00 -1.84 -5.99 8.01 -0.83 -4.82 117.44 110.21 1yae n TRP 799 Ca 0.03 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.81 1yae n TRP 799 Cb 0.39 -0.30 -0.03 0.00 -2.01 0.00 0.00 31.31 29.36 1yae n TRP 799 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 1yae s ARG 800 N -2.77 2.90 0.50 -0.99 1.81 -0.98 -4.85 118.95 114.57 1yae s ARG 800 Ca -0.04 1.38 0.04 0.00 -1.72 0.00 0.00 55.73 55.38 1yae s ARG 800 Cb 0.07 -4.35 0.02 0.00 -0.45 0.00 0.00 34.95 30.25 1yae s ARG 800 CO 0.49 -2.37 0.69 0.20 -0.68 0.00 0.00 175.30 173.63 1yae s GLY 801 N 8.15 1.88 0.15 -3.53 0.00 -1.26 -4.98 107.32 107.73 1yae s GLY 801 Ca 0.85 -1.48 0.03 0.00 0.00 0.00 0.00 44.72 44.12 1yae s GLY 801 CO 0.30 -1.24 0.85 0.70 0.00 0.00 0.00 173.10 173.71 1yae n ASN 802 N -2.14 0.09 0.00 1.64 4.13 -1.19 -4.90 115.26 112.90 1yae n ASN 802 Ca 0.08 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.63 1yae n ASN 802 Cb 0.59 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 1yae n ASN 802 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1yae n GLY 803 N -1.21 0.00 0.00 7.41 0.00 -1.26 -5.16 105.19 104.97 1yae n GLY 803 Ca -0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1yae n GLY 803 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32