#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 -1.81 1.53 -5.35 -1.26 -4.92 119.36 107.54 1yae n ILE 424 Ca 0.00 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.59 1yae n ILE 424 Cb 0.00 1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 38.89 1yae n ILE 424 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1yae s THR 425 N -0.68 2.98 -0.15 7.28 2.01 -1.26 -1.24 115.64 124.58 1yae s THR 425 Ca 0.00 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1yae s THR 425 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1yae s THR 425 CO 0.00 -0.01 0.00 0.47 -0.69 0.00 0.00 174.62 174.39 1yae n ASP 426 N 6.40 -5.04 0.00 3.53 8.00 0.36 -4.88 116.55 124.91 1yae n ASP 426 Ca 0.18 0.04 0.02 0.00 0.71 0.00 0.00 54.79 55.73 1yae n ASP 426 Cb 0.40 -2.67 0.07 0.00 -0.02 0.00 0.00 41.12 38.90 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 -0.66 0.00 -2.13 -2.24 3.41 -0.37 -1.30 113.62 110.33 1yae n SER 427 Ca -0.01 0.46 -0.11 0.00 -0.26 0.00 0.00 58.87 58.95 1yae n SER 427 Cb 0.36 -0.47 0.05 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.47 3.34 0.08 1.04 4.77 -0.08 -4.87 117.00 119.81 1yae n LEU 428 Ca 0.01 -3.92 -0.12 0.00 -0.03 0.00 0.00 56.01 51.96 1yae n LEU 428 Cb 0.03 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1yae n LEU 428 CO 0.03 1.58 0.77 0.28 -1.33 0.00 0.00 177.39 178.72 1yae h SER 429 N 2.14 -0.38 -1.27 -1.43 0.02 -1.20 -2.83 113.55 108.60 1yae h SER 429 Ca 0.13 0.05 0.45 0.00 -0.84 0.00 0.00 61.79 61.58 1yae h SER 429 Cb 1.42 0.15 -0.15 0.00 0.14 0.00 0.00 62.40 63.96 1yae h SER 429 CO 0.45 -0.20 0.79 0.78 -1.14 0.00 0.00 176.83 177.52 1yae h ASN 430 N -0.26 0.24 -3.61 3.07 2.35 -1.86 -3.44 115.58 112.08 1yae h ASN 430 Ca 0.03 0.18 -0.51 0.00 -0.55 0.00 0.00 56.30 55.45 1yae h ASN 430 Cb 0.29 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 1yae h ASN 430 CO -0.09 -0.28 0.11 -0.13 -1.65 0.00 0.00 177.43 175.38 1yae s ARG 431 N -5.34 4.20 -0.17 0.81 3.00 -1.07 -5.02 118.95 115.37 1yae s ARG 431 Ca -0.08 0.83 0.01 0.00 0.00 0.00 0.00 55.73 56.49 1yae s ARG 431 Cb 0.32 -2.77 0.03 0.00 0.00 0.00 0.00 34.95 32.52 1yae s ARG 431 CO 0.81 0.34 -0.15 0.45 0.00 0.00 0.00 175.30 176.75 1yae s SER 432 N -1.79 2.92 0.10 0.23 0.15 -1.26 -2.12 113.70 111.93 1yae s SER 432 Ca 0.46 -0.60 0.06 0.00 0.70 0.00 0.00 55.95 56.57 1yae s SER 432 Cb -0.15 -1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.85 1yae s SER 432 CO 0.20 -0.06 -0.05 -0.76 1.20 0.00 0.00 173.24 173.77 1yae s LEU 433 N 1.42 3.26 -0.32 3.45 1.02 0.34 -4.97 118.68 122.88 1yae s LEU 433 Ca 0.04 -0.28 -0.08 0.00 0.02 0.00 0.00 54.13 53.83 1yae s LEU 433 Cb -0.13 -2.02 0.01 0.00 0.02 0.00 0.00 46.19 44.07 1yae s LEU 433 CO -0.11 0.18 0.13 -0.63 0.02 0.00 0.00 176.35 175.93 1yae s ILE 434 N -1.26 4.20 -0.27 -0.59 1.09 -1.26 -0.35 121.20 122.75 1yae s ILE 434 Ca 0.24 -0.74 -0.11 0.00 -1.10 0.00 0.00 60.65 58.94 1yae s ILE 434 Cb -0.11 -3.24 -0.05 0.00 -1.06 0.00 0.00 42.46 38.00 1yae s ILE 434 CO 0.16 -0.03 0.17 -0.69 -0.10 0.00 0.00 174.94 174.45 1yae s VAL 435 N 1.52 5.22 0.06 2.92 1.01 0.11 -0.59 120.40 130.65 1yae s VAL 435 Ca 0.02 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1yae s VAL 435 Cb -0.18 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1yae s VAL 435 CO 0.04 0.27 0.41 0.28 0.00 0.00 0.00 175.10 176.11 1yae s THR 436 N 1.66 5.05 0.34 3.92 -1.32 -0.19 -0.21 115.64 124.89 1yae s THR 436 Ca 0.07 0.62 -0.06 0.00 -1.21 0.00 0.00 61.69 61.11 1yae s THR 436 Cb -0.16 -3.67 0.01 0.00 -1.51 0.00 0.00 72.50 67.17 1yae s THR 436 CO 0.10 0.38 0.53 0.28 -2.21 0.00 0.00 174.62 173.70 1yae s THR 437 N -1.29 0.00 0.07 5.08 -1.32 -0.66 -2.51 115.64 115.00 1yae s THR 437 Ca 0.30 -1.48 0.03 0.00 -1.21 0.00 0.00 61.69 59.33 1yae s THR 437 Cb -0.15 -2.64 -0.03 0.00 -1.51 0.00 0.00 72.50 68.17 1yae s THR 437 CO 0.16 0.00 -0.10 -0.51 -2.21 0.00 0.00 174.62 171.97 1yae s ILE 438 N -3.02 0.80 -0.13 5.08 2.07 -1.26 -0.19 121.20 124.56 1yae s ILE 438 Ca 0.27 -1.39 -0.29 0.00 -1.41 0.00 0.00 60.65 57.83 1yae s ILE 438 Cb -0.01 -1.05 -0.02 0.00 0.13 0.00 0.00 42.46 41.51 1yae s ILE 438 CO 0.18 -0.45 1.17 -0.76 -1.91 0.00 0.00 174.94 173.16 1yae s LEU 439 N -2.04 4.21 -0.30 8.50 1.43 -1.26 -4.54 118.68 124.69 1yae s LEU 439 Ca -0.01 1.67 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1yae s LEU 439 Cb -0.06 -3.55 0.16 0.00 0.03 0.00 0.00 46.19 42.77 1yae s LEU 439 CO 0.00 -0.64 0.89 -0.70 0.23 0.00 0.00 176.35 176.14 1yae s GLU 440 N 2.76 0.36 0.25 1.70 2.56 -0.79 -4.98 118.70 120.55 1yae s GLU 440 Ca 0.53 0.84 -0.30 0.00 0.00 0.00 0.00 54.97 56.04 1yae s GLU 440 Cb -0.21 0.50 -0.09 0.00 2.00 0.00 0.00 34.13 36.33 1yae s GLU 440 CO 0.16 -0.19 1.19 -1.21 -0.56 0.00 0.00 175.26 174.65 1yae s GLU 441 N 2.65 4.51 -0.48 4.30 2.02 -1.26 -0.10 118.70 130.34 1yae s GLU 441 Ca -0.00 1.93 0.03 0.00 0.02 0.00 0.00 54.97 56.94 1yae s GLU 441 Cb -0.09 -3.19 0.55 0.00 0.10 0.00 0.00 34.13 31.50 1yae s GLU 441 CO -0.17 -0.01 1.81 -0.35 0.02 0.00 0.00 175.26 176.55 1yae n PRO 442 N 1.74 2.43 -0.04 0.39 -0.04 -1.26 -4.94 135.00 133.27 1yae n PRO 442 Ca 0.02 -3.24 -0.17 0.00 -0.04 0.00 0.00 63.50 60.07 1yae n PRO 442 Cb 0.44 -2.15 -0.13 0.00 -0.04 0.00 0.00 33.50 31.61 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 1.42 0.14 -3.60 0.54 0.05 -0.85 -1.41 116.97 113.26 1yae h TYR 443 Ca 0.53 -0.10 -0.28 0.00 0.05 0.00 0.00 58.73 58.92 1yae h TYR 443 Cb 1.87 -0.01 -0.32 0.00 1.01 0.00 0.00 36.73 39.28 1yae h TYR 443 CO 1.38 1.15 -0.73 0.08 -1.05 0.00 0.00 178.16 178.99 1yae s VAL 444 N -2.30 0.01 0.03 -2.88 1.01 -0.41 -1.32 120.40 114.54 1yae s VAL 444 Ca -0.19 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1yae s VAL 444 Cb -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.29 1yae s VAL 444 CO 0.71 0.07 0.22 -0.76 0.00 0.00 0.00 175.10 175.35 1yae s LEU 445 N 0.66 1.23 -0.67 3.92 1.43 0.48 -1.88 118.68 123.84 1yae s LEU 445 Ca -0.06 -0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 52.49 1yae s LEU 445 Cb -0.08 1.05 0.02 0.00 0.03 0.00 0.00 46.19 47.21 1yae s LEU 445 CO -0.02 -0.55 1.38 -0.36 0.23 0.00 0.00 176.35 177.04 1yae s PHE 446 N -2.38 2.22 -0.13 0.29 0.08 -1.26 -1.14 117.98 115.65 1yae s PHE 446 Ca -0.06 0.21 -0.31 0.00 0.12 0.00 0.00 56.93 56.88 1yae s PHE 446 Cb -0.02 -4.50 -0.09 0.00 -0.57 0.00 0.00 43.02 37.85 1yae s PHE 446 CO -0.03 -2.05 2.05 1.17 -0.10 0.00 0.00 175.22 176.26 1yae n LYS 447 N 9.14 2.17 -2.43 0.44 4.81 -0.95 -4.91 118.16 126.43 1yae n LYS 447 Ca 0.08 0.73 -0.41 0.00 -0.87 0.00 0.00 58.31 57.83 1yae n LYS 447 Cb 0.49 -2.90 -0.04 0.00 0.02 0.00 0.00 35.03 32.61 1yae n LYS 447 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1yae s LYS 448 N 5.14 4.52 -0.00 1.64 -0.14 -1.26 -4.91 119.74 124.73 1yae s LYS 448 Ca 0.96 1.81 -0.28 0.00 -1.36 0.00 0.00 55.97 57.10 1yae s LYS 448 Cb -0.54 -3.27 0.09 0.00 -1.68 0.00 0.00 37.83 32.44 1yae s LYS 448 CO 0.44 -0.05 0.78 0.45 -0.76 0.00 0.00 175.35 176.21 1yae s SER 449 N 0.16 -0.49 0.06 2.83 0.15 -1.26 -5.07 113.70 110.07 1yae s SER 449 Ca 0.52 0.26 0.25 0.00 0.70 0.00 0.00 55.95 57.68 1yae s SER 449 Cb -0.31 0.46 0.56 0.00 -1.71 0.00 0.00 66.02 65.02 1yae s SER 449 CO 0.35 -0.66 1.47 -0.67 1.20 0.00 0.00 173.24 174.93 1yae n ASP 450 N 0.19 0.53 -4.37 5.45 2.03 -1.26 -4.85 116.55 114.27 1yae n ASP 450 Ca -0.14 0.05 -0.19 0.00 0.52 0.00 0.00 54.79 55.04 1yae n ASP 450 Cb 0.61 0.05 -0.10 0.00 -0.72 0.00 0.00 41.12 40.95 1yae n ASP 450 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1yae s LYS 451 N -3.07 1.46 0.34 -0.67 -2.85 -1.26 -5.13 119.74 108.56 1yae s LYS 451 Ca 0.09 -1.77 -0.29 0.00 -1.00 0.00 0.00 55.97 53.01 1yae s LYS 451 Cb 0.16 -0.71 -0.11 0.00 -2.06 0.00 0.00 37.83 35.11 1yae s LYS 451 CO 0.68 -0.13 1.55 -1.25 0.10 0.00 0.00 175.35 176.30 1yae s PRO 452 N -3.88 4.10 -0.06 1.78 0.04 -1.26 -5.03 135.00 130.69 1yae s PRO 452 Ca 0.32 2.60 0.03 0.00 0.04 0.00 0.00 61.00 63.99 1yae s PRO 452 Cb 0.07 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.59 1yae s PRO 452 CO 0.12 -0.60 -0.14 -0.51 0.04 0.00 0.00 177.00 175.91 1yae s LEU 453 N -1.37 2.75 0.05 -3.56 1.43 -1.26 -5.12 118.68 111.61 1yae s LEU 453 Ca 0.58 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.56 1yae s LEU 453 Cb -0.48 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1yae s LEU 453 CO 0.57 0.33 -0.24 -0.47 0.23 0.00 0.00 176.35 176.76 1yae s TYR 454 N -0.61 2.40 0.00 0.29 5.04 -1.26 -4.54 117.35 118.66 1yae s TYR 454 Ca 0.09 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 1yae s TYR 454 Cb -0.11 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 40.80 1yae s TYR 454 CO 0.01 0.19 0.00 0.41 -1.34 0.00 0.00 175.55 174.82 1yae n GLY 455 N 1.62 1.58 0.07 8.97 0.00 -1.26 -2.69 105.19 113.48 1yae n GLY 455 Ca -0.17 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.49 1yae n GLY 455 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yae n ASN 456 N 7.57 0.46 0.03 1.61 5.03 -1.26 -3.45 115.26 125.24 1yae n ASN 456 Ca 0.00 -0.30 0.14 0.00 0.87 0.00 0.00 54.58 55.29 1yae n ASN 456 Cb 0.00 -0.04 0.55 0.00 -1.02 0.00 0.00 39.78 39.28 1yae n ASN 456 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1yae n ASP 457 N -1.19 0.23 0.00 6.41 2.03 -1.10 -3.21 116.55 119.73 1yae n ASP 457 Ca 0.10 0.52 0.10 0.00 0.52 0.00 0.00 54.79 56.03 1yae n ASP 457 Cb 0.32 -0.59 0.44 0.00 -0.72 0.00 0.00 41.12 40.57 1yae n ASP 457 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1yae n ARG 458 N -1.72 0.05 -4.56 -0.67 0.63 -1.22 -4.78 116.66 104.39 1yae n ARG 458 Ca 0.07 0.15 -0.27 0.00 -0.92 0.00 0.00 57.85 56.87 1yae n ARG 458 Cb 0.36 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.64 1yae n ARG 458 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1yae s PHE 459 N -2.92 2.03 0.04 -0.14 0.08 -1.20 -2.23 117.98 113.64 1yae s PHE 459 Ca 0.11 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.77 1yae s PHE 459 Cb 0.13 -1.16 -0.03 0.00 -0.57 0.00 0.00 43.02 41.39 1yae s PHE 459 CO 0.35 0.18 -0.04 -1.83 -0.10 0.00 0.00 175.22 173.78 1yae s GLU 460 N -1.57 0.45 0.00 0.44 -1.05 -0.29 -4.77 118.70 111.90 1yae s GLU 460 Ca 0.10 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.11 1yae s GLU 460 Cb -0.10 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 1yae s GLU 460 CO 0.03 -0.04 0.00 0.41 0.95 0.00 0.00 175.26 176.62 1yae n GLY 461 N 1.18 2.30 0.39 -3.83 0.00 -1.26 -0.39 105.19 103.58 1yae n GLY 461 Ca -0.21 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.18 -0.36 1.61 5.03 -0.69 -1.11 116.97 120.28 1yae h TYR 462 Ca 0.00 0.06 0.03 0.00 2.58 0.00 0.00 58.73 61.40 1yae h TYR 462 Cb 0.00 0.56 -0.02 0.00 1.55 0.00 0.00 36.73 38.82 1yae h TYR 462 CO 0.00 -0.44 0.24 0.00 -1.32 0.00 0.00 178.16 176.64 1yae h ILE 464 N 0.37 1.30 -0.22 0.00 1.08 -1.36 -0.23 117.51 118.45 1yae h ILE 464 Ca 0.15 -1.19 -0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1yae h ILE 464 Cb 0.12 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1yae h ILE 464 CO -0.03 0.37 0.13 0.44 -0.69 0.00 0.00 178.15 178.37 1yae h ASP 465 N 0.28 0.27 -0.70 1.72 3.32 -0.68 -1.45 116.42 119.17 1yae h ASP 465 Ca 0.06 -0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.18 1yae h ASP 465 Cb 0.62 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.01 1yae h ASP 465 CO 0.04 0.25 0.23 0.25 -1.72 0.00 0.00 179.24 178.29 1yae h LEU 466 N 0.26 0.16 0.03 1.55 5.85 -0.87 0.10 115.31 122.40 1yae h LEU 466 Ca 0.08 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1yae h LEU 466 Cb 0.04 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1yae h LEU 466 CO -0.01 0.06 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.06 1yae h LEU 467 N 0.37 -0.03 -1.13 2.25 3.38 -0.71 0.15 115.31 119.58 1yae h LEU 467 Ca 0.38 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1yae h LEU 467 Cb 0.57 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1yae h LEU 467 CO -0.41 0.12 0.48 -0.09 0.09 0.00 0.00 178.44 178.62 1yae h ARG 468 N -0.19 1.07 0.45 1.13 2.43 -0.66 0.14 114.38 118.75 1yae h ARG 468 Ca -0.00 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1yae h ARG 468 Cb 0.17 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1yae h ARG 468 CO 0.01 0.75 -0.21 0.93 -1.51 0.00 0.00 179.97 179.93 1yae h GLU 469 N 1.09 -0.58 -1.00 0.20 4.39 -0.49 0.19 114.58 118.38 1yae h GLU 469 Ca 0.28 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.16 1yae h GLU 469 Cb -0.04 0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 28.65 1yae h GLU 469 CO -0.05 -0.39 0.63 -0.07 -1.16 0.00 0.00 179.01 177.97 1yae h LEU 470 N -0.60 0.90 -0.35 1.33 3.38 -0.31 -1.83 115.31 117.83 1yae h LEU 470 Ca -0.06 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1yae h LEU 470 Cb 0.46 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1yae h LEU 470 CO 0.10 0.45 -0.04 0.77 0.09 0.00 0.00 178.44 179.81 1yae h SER 471 N 0.95 0.64 -0.51 -0.43 4.64 -0.44 0.19 113.55 118.59 1yae h SER 471 Ca 0.51 -0.34 0.07 0.00 -0.47 0.00 0.00 61.79 61.57 1yae h SER 471 Cb 0.56 -0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.38 1yae h SER 471 CO -0.29 0.83 -0.47 0.74 -0.87 0.00 0.00 176.83 176.77 1yae h THR 472 N 0.45 0.07 0.29 2.95 2.02 -0.16 0.83 112.91 119.36 1yae h THR 472 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1yae h THR 472 Cb 0.52 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1yae h THR 472 CO 0.03 0.00 -0.14 0.40 0.37 0.00 0.00 175.52 176.18 1yae h ILE 473 N -0.28 0.71 0.00 3.11 2.04 -1.25 -3.29 117.51 118.54 1yae h ILE 473 Ca 0.14 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1yae h ILE 473 Cb 0.57 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1yae h ILE 473 CO -0.65 0.13 -0.25 0.18 0.00 0.00 0.00 178.15 177.56 1yae n LEU 474 N -5.10 0.49 -1.76 1.44 4.77 0.04 -0.49 117.00 116.39 1yae n LEU 474 Ca -0.09 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1yae n LEU 474 Cb 0.26 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1yae n LEU 474 CO 0.29 -0.04 -0.11 0.61 -1.33 0.00 0.00 177.39 176.82 1yae n GLY 475 N 1.41 -0.16 3.97 -0.72 0.00 0.29 -0.90 105.19 109.08 1yae n GLY 475 Ca 0.05 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.79 3.44 0.00 1.61 -0.12 -1.22 -3.37 117.98 115.53 1yae s PHE 476 Ca 0.08 -0.00 -0.01 0.00 -0.05 0.00 0.00 56.93 56.94 1yae s PHE 476 Cb -0.03 -1.62 -0.04 0.00 -0.63 0.00 0.00 43.02 40.70 1yae s PHE 476 CO 0.10 0.39 0.14 0.95 -0.05 0.00 0.00 175.22 176.75 1yae s THR 477 N -2.02 5.10 -0.00 -4.49 -4.23 -0.90 -4.81 115.64 104.29 1yae s THR 477 Ca 0.35 -0.31 -0.06 0.00 -1.18 0.00 0.00 61.69 60.49 1yae s THR 477 Cb -0.09 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1yae s THR 477 CO 0.30 0.31 0.12 -0.72 -0.54 0.00 0.00 174.62 174.08 1yae s TYR 478 N -1.29 0.04 -0.13 3.99 1.13 -1.26 0.13 117.35 119.96 1yae s TYR 478 Ca 0.26 -0.12 0.02 0.00 -1.41 0.00 0.00 57.07 55.83 1yae s TYR 478 Cb -0.12 -0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.69 1yae s TYR 478 CO 0.18 -0.25 -0.21 -1.83 -2.51 0.00 0.00 175.55 170.93 1yae s GLU 479 N -1.20 2.84 0.07 -3.49 -1.05 0.52 -4.89 118.70 111.51 1yae s GLU 479 Ca -0.13 -0.79 -0.27 0.00 -0.15 0.00 0.00 54.97 53.63 1yae s GLU 479 Cb -0.07 -2.30 -0.06 0.00 -0.44 0.00 0.00 34.13 31.26 1yae s GLU 479 CO 0.01 -0.01 0.85 0.42 0.95 0.00 0.00 175.26 177.47 1yae s ILE 480 N 0.82 4.64 -0.04 1.83 1.01 -1.26 -0.71 121.20 127.49 1yae s ILE 480 Ca -0.08 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.39 1yae s ILE 480 Cb -0.16 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.14 1yae s ILE 480 CO -0.01 0.35 -0.01 -0.13 0.00 0.00 0.00 174.94 175.13 1yae s ARG 481 N -0.04 0.49 0.38 2.79 0.52 0.70 -4.93 118.95 118.87 1yae s ARG 481 Ca 0.42 0.02 -0.25 0.00 -0.52 0.00 0.00 55.73 55.40 1yae s ARG 481 Cb -0.22 -0.63 -0.09 0.00 0.52 0.00 0.00 34.95 34.54 1yae s ARG 481 CO 0.26 -0.13 1.07 -0.48 0.02 0.00 0.00 175.30 176.04 1yae s LEU 482 N 1.05 4.20 -0.09 2.53 2.34 -1.26 -1.66 118.68 125.80 1yae s LEU 482 Ca -0.09 2.12 -0.38 0.00 0.06 0.00 0.00 54.13 55.84 1yae s LEU 482 Cb -0.14 -4.09 -0.16 0.00 -0.56 0.00 0.00 46.19 41.25 1yae s LEU 482 CO -0.01 -0.48 1.59 1.33 -1.06 0.00 0.00 176.35 177.71 1yae n VAL 483 N 0.11 0.19 -0.07 1.48 0.24 0.74 -4.81 118.33 116.21 1yae n VAL 483 Ca 0.04 -0.03 -0.08 0.00 -2.04 0.00 0.00 64.34 62.23 1yae n VAL 483 Cb 0.48 -1.15 -0.01 0.00 -1.47 0.00 0.00 33.84 31.70 1yae n VAL 483 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1yae h GLU 484 N 6.28 0.21 -0.00 7.34 4.39 -1.91 -1.99 114.58 128.91 1yae h GLU 484 Ca -0.47 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1yae h GLU 484 Cb 1.32 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1yae h GLU 484 CO 0.88 0.14 -0.07 -0.40 -1.16 0.00 0.00 179.01 178.40 1yae n ASP 485 N -5.03 0.17 -0.96 1.42 5.75 -1.26 -4.94 116.55 111.69 1yae n ASP 485 Ca -0.01 -0.13 -0.10 0.00 -0.01 0.00 0.00 54.79 54.55 1yae n ASP 485 Cb 0.10 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.35 0.41 3.36 6.12 0.00 -0.75 -5.03 105.19 110.65 1yae n GLY 486 Ca 0.12 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.84 1.36 -0.06 1.61 1.02 -1.26 -5.06 119.74 113.51 1yae s LYS 487 Ca 0.00 -1.60 -0.26 0.00 0.02 0.00 0.00 55.97 54.13 1yae s LYS 487 Cb 0.00 -1.20 -0.23 0.00 -0.52 0.00 0.00 37.83 35.88 1yae s LYS 487 CO 0.00 0.21 1.05 1.88 -0.92 0.00 0.00 175.35 177.56 1yae h TYR 488 N 2.57 0.11 0.00 3.18 -1.99 -1.94 -1.36 116.97 117.54 1yae h TYR 488 Ca -0.38 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1yae h TYR 488 Cb 1.22 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.94 1yae h TYR 488 CO 0.73 0.80 0.00 0.41 -0.00 0.00 0.00 178.16 180.10 1yae n GLY 489 N 0.90 1.97 3.57 3.88 0.00 -1.26 -0.97 105.19 113.28 1yae n GLY 489 Ca -0.09 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 2.97 -0.16 4.61 0.00 -1.26 -4.81 121.76 123.11 1yae s ALA 490 Ca 0.00 -1.61 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 1yae s ALA 490 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1yae s ALA 490 CO 0.00 0.37 0.45 -1.14 0.00 0.00 0.00 175.76 175.44 1yae s GLN 491 N -3.22 4.26 0.08 0.00 0.74 -1.26 -2.44 119.66 117.81 1yae s GLN 491 Ca 0.28 0.35 -0.31 0.00 0.05 0.00 0.00 55.36 55.73 1yae s GLN 491 Cb -0.07 -3.49 -0.09 0.00 1.10 0.00 0.00 33.01 30.46 1yae s GLN 491 CO 0.16 0.04 1.74 0.34 -0.55 0.00 0.00 175.29 177.03 1yae s ASP 492 N 0.84 6.53 0.10 6.67 -1.08 0.46 -4.85 116.67 125.34 1yae s ASP 492 Ca 0.23 2.59 -0.28 0.00 -0.52 0.00 0.00 52.55 54.57 1yae s ASP 492 Cb -0.15 -2.56 -0.11 0.00 -1.46 0.00 0.00 42.92 38.64 1yae s ASP 492 CO 0.09 -0.94 1.64 -2.24 0.52 0.00 0.00 175.17 174.24 1yae h ASP 493 N 8.63 -0.71 0.83 -0.34 3.04 -1.96 0.14 116.42 126.06 1yae h ASP 493 Ca -0.44 0.07 -0.04 0.00 -3.24 0.00 0.00 57.03 53.38 1yae h ASP 493 Cb 1.21 0.25 0.00 0.00 -1.04 0.00 0.00 39.33 39.75 1yae h ASP 493 CO 0.94 -0.37 -0.45 1.62 -2.04 0.00 0.00 179.24 178.94 1yae h VAL 494 N -0.53 0.10 -0.41 4.15 3.04 -2.00 -3.35 116.25 117.26 1yae h VAL 494 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1yae h VAL 494 Cb 0.50 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.88 1yae h VAL 494 CO -0.08 0.00 0.00 -0.46 -1.01 0.00 0.00 177.57 176.02 1yae n ASN 495 N -5.61 3.44 -4.10 3.17 6.94 -1.25 -5.00 115.26 112.85 1yae n ASN 495 Ca -0.15 -2.25 -0.29 0.00 -0.02 0.00 0.00 54.58 51.87 1yae n ASN 495 Cb 0.48 -0.36 -0.04 0.00 -2.36 0.00 0.00 39.78 37.50 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 0.50 -0.25 3.48 4.83 0.00 0.47 -4.96 105.19 109.26 1yae n GLY 496 Ca 0.16 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 1yae n GLY 496 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1yae s GLN 497 N -6.81 2.54 0.30 1.61 0.74 -1.25 -4.77 119.66 112.02 1yae s GLN 497 Ca 0.18 -0.69 -0.18 0.00 0.05 0.00 0.00 55.36 54.73 1yae s GLN 497 Cb -0.10 -2.40 -0.09 0.00 1.10 0.00 0.00 33.01 31.52 1yae s GLN 497 CO 0.92 0.62 0.77 -1.58 -0.55 0.00 0.00 175.29 175.47 1yae s TRP 498 N -0.71 3.48 0.07 1.67 0.52 -1.26 -0.40 118.94 122.31 1yae s TRP 498 Ca 0.11 1.36 0.00 0.00 0.02 0.00 0.00 56.10 57.59 1yae s TRP 498 Cb -0.11 -2.63 0.00 0.00 -1.15 0.00 0.00 33.47 29.59 1yae s TRP 498 CO 0.01 0.16 0.00 0.27 0.02 0.00 0.00 176.95 177.41 1yae n ASN 499 N 0.05 0.61 0.00 2.95 0.23 -1.02 -4.62 115.26 113.46 1yae n ASN 499 Ca 0.02 0.10 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 1yae n ASN 499 Cb 0.52 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1yae n ASN 499 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1yae n GLY 500 N 3.18 0.86 0.38 4.83 0.00 -1.26 -4.29 105.19 108.89 1yae n GLY 500 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1yae n GLY 500 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1yae h MET 501 N 0.00 0.59 -0.53 1.61 4.05 0.14 -1.75 114.93 119.04 1yae h MET 501 Ca 0.00 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1yae h MET 501 Cb 0.00 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 1yae h MET 501 CO 0.00 0.39 0.33 0.28 0.23 0.00 0.00 176.91 178.14 1yae h VAL 502 N 0.61 1.07 -0.22 -5.77 2.07 -1.74 -2.55 116.25 109.73 1yae h VAL 502 Ca 0.43 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1yae h VAL 502 Cb 0.78 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1yae h VAL 502 CO -0.19 0.12 0.07 -0.09 0.02 0.00 0.00 177.57 177.50 1yae h ARG 503 N 0.65 0.34 -0.70 1.57 9.65 -1.52 -2.87 114.38 121.49 1yae h ARG 503 Ca 0.21 -0.07 0.19 0.00 -1.10 0.00 0.00 59.98 59.21 1yae h ARG 503 Cb -0.00 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 1yae h ARG 503 CO -0.08 0.43 0.50 0.93 2.80 0.00 0.00 179.97 184.55 1yae h GLU 504 N 0.18 0.07 -0.03 0.20 5.08 -1.05 -1.41 114.58 117.62 1yae h GLU 504 Ca 0.07 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1yae h GLU 504 Cb 0.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1yae h GLU 504 CO -0.00 0.05 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.89 1yae h LEU 505 N 0.07 0.13 0.28 1.33 3.38 -1.25 0.88 115.31 120.14 1yae h LEU 505 Ca 0.34 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1yae h LEU 505 Cb 1.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1yae h LEU 505 CO -0.03 0.74 -0.29 0.40 0.09 0.00 0.00 178.44 179.35 1yae h ILE 506 N -0.46 0.38 0.00 1.22 2.04 -1.15 0.37 117.51 119.90 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 0.73 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1yae h ILE 506 CO 0.02 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.64 1yae n ASP 507 N -5.41 0.36 -3.51 1.72 8.00 -0.80 -4.80 116.55 112.10 1yae n ASP 507 Ca -0.09 -0.76 -0.25 0.00 0.71 0.00 0.00 54.79 54.40 1yae n ASP 507 Cb 0.32 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.25 -1.23 0.42 1.24 8.25 0.12 -4.75 115.22 119.53 1yae n HIS 508 Ca 0.00 0.40 0.12 0.00 -0.26 0.00 0.00 57.72 57.99 1yae n HIS 508 Cb 0.09 -1.36 0.25 0.00 1.12 0.00 0.00 29.99 30.09 1yae n HIS 508 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1yae h LYS 509 N -0.51 0.00 -3.84 -0.41 1.57 -1.02 -3.46 116.57 108.90 1yae h LYS 509 Ca -0.35 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 1yae h LYS 509 Cb 1.09 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.26 1yae h LYS 509 CO 0.53 0.00 -0.39 0.00 -0.57 0.00 0.00 179.45 179.02 1yae s ALA 510 N -3.17 -0.17 -0.15 3.86 0.00 -1.15 -4.98 121.76 116.00 1yae s ALA 510 Ca 0.08 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1yae s ALA 510 Cb 0.10 0.48 -0.23 0.00 0.00 0.00 0.00 23.12 23.46 1yae s ALA 510 CO 0.66 -0.50 0.22 -0.25 0.00 0.00 0.00 175.76 175.89 1yae n ASP 511 N -0.05 1.69 -4.01 0.00 8.00 0.24 -4.58 116.55 117.84 1yae n ASP 511 Ca -0.15 0.13 -0.16 0.00 0.71 0.00 0.00 54.79 55.32 1yae n ASP 511 Cb 0.62 -0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 41.15 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 -6.61 2.09 -0.37 0.64 1.02 -1.13 -4.15 118.68 110.18 1yae s LEU 512 Ca -0.22 -0.26 0.01 0.00 0.02 0.00 0.00 54.13 53.68 1yae s LEU 512 Cb 0.07 -0.30 0.10 0.00 0.02 0.00 0.00 46.19 46.09 1yae s LEU 512 CO 0.74 -0.01 0.11 0.00 0.02 0.00 0.00 176.35 177.21 1yae s ALA 513 N -0.54 3.00 -0.45 4.21 0.00 0.43 -1.03 121.76 127.38 1yae s ALA 513 Ca -0.01 -2.50 -0.12 0.00 0.00 0.00 0.00 51.96 49.33 1yae s ALA 513 Cb -0.05 -2.15 0.08 0.00 0.00 0.00 0.00 23.12 21.01 1yae s ALA 513 CO 0.00 -1.71 0.34 0.08 0.00 0.00 0.00 175.76 174.47 1yae s VAL 514 N 1.02 4.71 0.15 0.00 1.01 -1.05 -1.09 120.40 125.16 1yae s VAL 514 Ca 0.09 -1.29 -0.25 0.00 0.00 0.00 0.00 61.98 60.53 1yae s VAL 514 Cb -0.21 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1yae s VAL 514 CO -0.06 -0.58 0.85 0.00 0.00 0.00 0.00 175.10 175.31 1yae s ALA 515 N 1.52 -1.58 -0.13 5.51 0.00 -1.26 -4.62 121.76 121.21 1yae s ALA 515 Ca 0.04 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 1yae s ALA 515 Cb -0.24 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1yae s ALA 515 CO 0.04 -0.95 1.11 -0.35 0.00 0.00 0.00 175.76 175.62 1yae n PRO 516 N -0.42 0.39 -3.21 0.00 -0.04 -1.26 -4.75 135.00 125.71 1yae n PRO 516 Ca -0.07 -0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 62.49 1yae n PRO 516 Cb 0.61 -1.89 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.01 4.39 0.20 1.53 0.20 -1.26 -5.04 118.68 118.71 1yae s LEU 517 Ca 0.09 -0.09 -0.30 0.00 0.69 0.00 0.00 54.13 54.51 1yae s LEU 517 Cb 0.03 -2.62 -0.09 0.00 -0.43 0.00 0.00 46.19 43.09 1yae s LEU 517 CO -0.00 -0.54 1.36 0.00 -0.29 0.00 0.00 176.35 176.88 1yae s ALA 518 N 2.47 3.57 -0.53 5.97 0.00 -1.26 -2.98 121.76 129.00 1yae s ALA 518 Ca 0.19 1.18 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 1yae s ALA 518 Cb -0.15 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1yae s ALA 518 CO 0.14 -0.61 1.45 0.42 0.00 0.00 0.00 175.76 177.16 1yae s ILE 519 N 0.25 3.77 0.14 0.00 1.01 -0.76 -4.90 121.20 120.72 1yae s ILE 519 Ca 0.59 0.68 0.10 0.00 0.00 0.00 0.00 60.65 62.03 1yae s ILE 519 Cb -0.38 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 1yae s ILE 519 CO 0.38 -1.05 -0.23 -0.89 0.00 0.00 0.00 174.94 173.15 1yae s THR 520 N 6.13 2.49 0.12 2.92 2.01 -1.26 -4.88 115.64 123.17 1yae s THR 520 Ca 0.56 -1.74 -0.31 0.00 0.31 0.00 0.00 61.69 60.51 1yae s THR 520 Cb -0.12 -2.14 -0.09 0.00 0.01 0.00 0.00 72.50 70.17 1yae s THR 520 CO 0.26 0.04 1.58 0.22 -0.69 0.00 0.00 174.62 176.03 1yae h TYR 521 N 3.66 -1.28 -0.40 4.92 3.20 -1.99 0.11 116.97 125.19 1yae h TYR 521 Ca -0.50 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.49 1yae h TYR 521 Cb 1.18 0.56 -0.06 0.00 1.54 0.00 0.00 36.73 39.95 1yae h TYR 521 CO 0.62 -0.51 0.04 -0.39 -1.64 0.00 0.00 178.16 176.27 1yae h VAL 522 N -0.58 0.74 -0.68 1.81 -1.51 -2.00 -2.22 116.25 111.80 1yae h VAL 522 Ca 0.05 -0.05 -0.05 0.00 -1.23 0.00 0.00 66.70 65.42 1yae h VAL 522 Cb 0.66 0.57 -0.03 0.00 -2.13 0.00 0.00 31.29 30.37 1yae h VAL 522 CO -0.35 0.03 0.24 0.03 -1.23 0.00 0.00 177.57 176.30 1yae h ARG 523 N 0.15 1.02 0.00 5.19 3.08 -1.87 -2.57 114.38 119.38 1yae h ARG 523 Ca 0.20 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1yae h ARG 523 Cb 0.26 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1yae h ARG 523 CO -0.30 0.85 -0.16 1.49 -1.07 0.00 0.00 179.97 180.78 1yae h GLU 524 N 0.99 0.00 0.00 0.04 4.57 -0.19 -1.07 114.58 118.92 1yae h GLU 524 Ca 0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1yae h GLU 524 Cb 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1yae h GLU 524 CO -0.01 0.16 0.00 1.57 -1.18 0.00 0.00 179.01 179.54 1yae h LYS 525 N 0.00 0.00 0.00 1.92 2.10 -1.04 -3.25 116.57 116.29 1yae h LYS 525 Ca -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1yae h LYS 525 Cb 0.43 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1yae h LYS 525 CO 0.02 0.00 -1.40 0.28 -2.00 0.00 0.00 179.45 176.35 1yae n VAL 526 N -2.95 0.14 -4.14 0.07 0.31 -0.88 -5.05 118.33 105.83 1yae n VAL 526 Ca 0.01 -0.22 -0.09 0.00 -0.01 0.00 0.00 64.34 64.03 1yae n VAL 526 Cb 0.32 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.15 1yae n VAL 526 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1yae s ILE 527 N -2.44 0.24 0.02 2.52 -4.36 -0.46 -4.44 121.20 112.27 1yae s ILE 527 Ca -0.03 -1.89 -0.17 0.00 -0.26 0.00 0.00 60.65 58.30 1yae s ILE 527 Cb 0.04 -1.87 -0.06 0.00 1.25 0.00 0.00 42.46 41.82 1yae s ILE 527 CO 0.32 -0.65 0.47 -1.81 0.24 0.00 0.00 174.94 173.51 1yae s ASP 528 N -3.02 6.90 0.07 4.36 1.11 -0.26 -4.32 116.67 121.51 1yae s ASP 528 Ca 0.18 1.06 0.08 0.00 0.18 0.00 0.00 52.55 54.05 1yae s ASP 528 Cb 0.07 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.73 1yae s ASP 528 CO -0.02 0.28 -0.18 -0.36 1.18 0.00 0.00 175.17 176.08 1yae s PHE 529 N -0.96 2.56 1.08 4.23 0.08 -1.26 -1.09 117.98 122.61 1yae s PHE 529 Ca 0.26 -0.25 -0.15 0.00 0.12 0.00 0.00 56.93 56.90 1yae s PHE 529 Cb -0.18 -1.41 0.23 0.00 -0.57 0.00 0.00 43.02 41.09 1yae s PHE 529 CO 0.15 0.32 1.11 -1.54 -0.10 0.00 0.00 175.22 175.16 1yae s SER 530 N -1.76 1.98 0.59 1.36 1.04 -0.12 -4.99 113.70 111.81 1yae s SER 530 Ca 0.16 0.92 -0.17 0.00 0.48 0.00 0.00 55.95 57.34 1yae s SER 530 Cb -0.11 -1.40 -0.04 0.00 0.10 0.00 0.00 66.02 64.58 1yae s SER 530 CO 0.08 -3.50 1.07 -0.54 0.98 0.00 0.00 173.24 171.33 1yae s LYS 531 N -5.18 3.27 0.38 4.02 1.02 -1.26 -4.57 119.74 117.42 1yae s LYS 531 Ca 0.68 1.30 -0.28 0.00 0.02 0.00 0.00 55.97 57.69 1yae s LYS 531 Cb -0.15 -2.02 -0.11 0.00 -0.52 0.00 0.00 37.83 35.03 1yae s LYS 531 CO 0.57 -0.86 1.50 -1.25 -0.92 0.00 0.00 175.35 174.38 1yae s PRO 532 N -3.89 4.09 0.00 -1.68 0.04 -1.26 -4.57 135.00 127.74 1yae s PRO 532 Ca 0.66 2.59 0.22 0.00 0.04 0.00 0.00 61.00 64.51 1yae s PRO 532 Cb -0.18 -2.96 0.02 0.00 0.04 0.00 0.00 34.50 31.42 1yae s PRO 532 CO 0.35 -0.55 1.07 1.97 0.04 0.00 0.00 177.00 179.87 1yae n PHE 533 N 0.45 0.01 -3.74 0.56 1.16 -0.18 -4.91 117.46 110.82 1yae n PHE 533 Ca 0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.47 1yae n PHE 533 Cb 0.39 -0.11 -0.10 0.00 -1.61 0.00 0.00 39.48 38.04 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 -3.02 0.45 -0.02 3.97 0.00 -1.24 -5.02 119.30 114.42 1yae s MET 534 Ca 0.09 0.57 0.02 0.00 0.00 0.00 0.00 55.69 56.36 1yae s MET 534 Cb 0.16 0.20 -0.03 0.00 0.00 0.00 0.00 34.83 35.16 1yae s MET 534 CO 0.81 -0.07 -0.06 0.99 0.00 0.00 0.00 175.02 176.70 1yae s THR 535 N 0.33 3.76 0.00 10.11 2.01 -1.26 -0.56 115.64 130.03 1yae s THR 535 Ca -0.01 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1yae s THR 535 Cb -0.03 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1yae s THR 535 CO -0.01 0.46 0.00 0.00 -0.69 0.00 0.00 174.62 174.38 1yae n LEU 536 N 1.75 0.00 -3.62 4.42 -0.00 -1.26 -4.81 117.00 113.48 1yae n LEU 536 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.82 1yae n LEU 536 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.93 1yae n LEU 536 CO 0.30 0.00 0.93 -0.83 -0.00 0.00 0.00 177.39 177.79 1yae s GLY 537 N -0.31 -0.35 0.36 1.47 0.00 -1.26 -1.03 107.32 106.20 1yae s GLY 537 Ca 0.00 0.89 -0.28 0.00 0.00 0.00 0.00 44.72 45.33 1yae s GLY 537 CO 0.00 0.25 1.35 -0.42 0.00 0.00 0.00 173.10 174.28 1yae s ILE 538 N -2.68 2.52 0.12 0.90 -1.09 -1.26 -0.07 121.20 119.63 1yae s ILE 538 Ca 0.11 0.51 -0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1yae s ILE 538 Cb 0.01 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1yae s ILE 538 CO -0.04 0.11 0.17 -0.24 -1.23 0.00 0.00 174.94 173.71 1yae n SER 539 N 0.58 -0.46 -4.53 3.58 2.88 -0.07 -0.01 113.62 115.59 1yae n SER 539 Ca 0.01 -1.67 -0.34 0.00 -1.33 0.00 0.00 58.87 55.54 1yae n SER 539 Cb 0.41 0.87 -0.12 0.00 -0.75 0.00 0.00 64.21 64.63 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 -2.56 3.95 -0.17 2.46 1.09 -1.24 -1.82 121.20 122.91 1yae s ILE 540 Ca 0.10 -0.35 -0.03 0.00 -1.10 0.00 0.00 60.65 59.28 1yae s ILE 540 Cb -0.00 -2.71 -0.02 0.00 -1.06 0.00 0.00 42.46 38.67 1yae s ILE 540 CO 0.07 0.51 -0.07 -0.22 -0.10 0.00 0.00 174.94 175.14 1yae s LEU 541 N 0.12 2.95 0.19 2.97 1.98 0.39 -1.14 118.68 126.15 1yae s LEU 541 Ca -0.01 -0.29 -0.14 0.00 -2.89 0.00 0.00 54.13 50.81 1yae s LEU 541 Cb -0.13 -1.71 0.01 0.00 0.66 0.00 0.00 46.19 45.01 1yae s LEU 541 CO 0.03 0.09 0.43 -0.47 -1.89 0.00 0.00 176.35 174.54 1yae s TYR 542 N 0.80 0.15 0.04 5.38 5.04 -0.31 -1.27 117.35 127.18 1yae s TYR 542 Ca -0.02 -0.51 -0.05 0.00 -2.44 0.00 0.00 57.07 54.05 1yae s TYR 542 Cb -0.15 0.20 -0.05 0.00 0.35 0.00 0.00 41.96 42.31 1yae s TYR 542 CO 0.01 -0.86 0.28 -0.98 -1.34 0.00 0.00 175.55 172.66 1yae s ARG 543 N -3.93 3.56 -0.05 4.97 1.70 -1.26 0.13 118.95 124.06 1yae s ARG 543 Ca 0.14 -0.14 -0.38 0.00 -0.47 0.00 0.00 55.73 54.88 1yae s ARG 543 Cb 0.01 -3.03 -0.17 0.00 -0.57 0.00 0.00 34.95 31.19 1yae s ARG 543 CO 0.00 0.61 1.46 1.63 -1.08 0.00 0.00 175.30 177.93 1yae n LYS 544 N 0.78 1.06 0.00 3.89 5.02 -0.92 -4.88 118.16 123.11 1yae n LYS 544 Ca -0.08 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1yae n LYS 544 Cb 0.52 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1yae n LYS 544 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1yae n PRO 545 N 3.44 0.00 0.00 1.97 -0.02 -1.26 -5.08 135.00 134.05 1yae n PRO 545 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1yae n PRO 545 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.64 1yae n PRO 545 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1yae n ASP 669 N 0.00 0.00 -3.71 2.55 -0.08 -1.26 -5.26 116.55 108.79 1yae n ASP 669 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 1yae n ASP 669 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 1yae n ASP 669 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1yae s SER 670 N 0.00 2.21 -0.03 1.67 0.15 -1.26 -3.56 113.70 112.88 1yae s SER 670 Ca 0.00 -1.73 -0.24 0.00 0.70 0.00 0.00 55.95 54.68 1yae s SER 670 Cb 0.00 0.56 -0.18 0.00 -1.71 0.00 0.00 66.02 64.69 1yae s SER 670 CO 0.00 -1.01 1.07 0.00 1.20 0.00 0.00 173.24 174.50 1yae h ALA 671 N 1.96 -0.17 0.00 5.45 0.00 -1.97 -3.24 119.26 121.29 1yae h ALA 671 Ca -0.30 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1yae h ALA 671 Cb 1.25 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1yae h ALA 671 CO 0.46 -0.32 -0.31 -0.44 0.00 0.00 0.00 179.25 178.63 1yae h ASP 672 N -0.72 0.00 -0.22 0.00 3.32 -1.98 -3.16 116.42 113.66 1yae h ASP 672 Ca -0.02 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1yae h ASP 672 Cb 0.53 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1yae h ASP 672 CO 0.03 0.31 -0.41 -0.78 -1.72 0.00 0.00 179.24 176.67 1yae h ASP 673 N 0.00 -1.34 -0.58 6.45 1.82 -1.97 -2.80 116.42 118.00 1yae h ASP 673 Ca -0.00 0.17 0.12 0.00 -0.39 0.00 0.00 57.03 56.92 1yae h ASP 673 Cb 0.56 0.54 -0.11 0.00 0.68 0.00 0.00 39.33 41.00 1yae h ASP 673 CO 0.04 -0.32 -0.20 -0.07 -1.61 0.00 0.00 179.24 177.07 1yae h LEU 674 N -0.35 -0.73 -2.25 2.28 3.38 -1.57 -3.26 115.31 112.81 1yae h LEU 674 Ca 0.04 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1yae h LEU 674 Cb 0.47 0.43 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1yae h LEU 674 CO -0.39 -0.24 0.06 0.00 0.09 0.00 0.00 178.44 177.96 1yae h ALA 675 N 1.41 1.79 0.14 1.53 0.00 -1.56 -2.87 119.26 119.71 1yae h ALA 675 Ca 0.27 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.88 1yae h ALA 675 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1yae h ALA 675 CO -0.63 -0.09 -1.54 1.57 0.00 0.00 0.00 179.25 178.56 1yae h LYS 676 N 0.00 0.30 -7.51 0.00 2.10 -1.63 -3.48 116.57 106.35 1yae h LYS 676 Ca 0.03 -0.51 -0.46 0.00 -2.00 0.00 0.00 60.65 57.71 1yae h LYS 676 Cb 0.15 0.19 0.12 0.00 -0.90 0.00 0.00 32.23 31.79 1yae h LYS 676 CO -0.00 1.25 0.32 1.14 -2.00 0.00 0.00 179.45 180.16 1yae s GLN 677 N -2.51 1.32 0.00 0.07 1.03 -1.08 -5.05 119.66 113.44 1yae s GLN 677 Ca -0.18 0.27 0.00 0.00 0.04 0.00 0.00 55.36 55.48 1yae s GLN 677 Cb 0.05 -1.86 0.00 0.00 0.03 0.00 0.00 33.01 31.23 1yae s GLN 677 CO 0.80 -2.07 0.00 -2.37 -2.54 0.00 0.00 175.29 169.11 1yae n THR 678 N -3.67 0.00 -0.22 3.63 5.66 -1.26 -4.77 114.28 113.65 1yae n THR 678 Ca 0.07 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.99 1yae n THR 678 Cb 0.59 0.31 0.03 0.00 -1.55 0.00 0.00 70.33 69.72 1yae n THR 678 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1yae h LYS 679 N 0.00 0.99 -4.70 1.09 2.10 -1.96 -3.42 116.57 110.68 1yae h LYS 679 Ca 0.00 -0.25 -0.69 0.00 -2.00 0.00 0.00 60.65 57.71 1yae h LYS 679 Cb 0.07 -0.12 -0.24 0.00 -0.90 0.00 0.00 32.23 31.04 1yae h LYS 679 CO 0.00 0.92 -0.55 0.42 -2.00 0.00 0.00 179.45 178.24 1yae s ILE 680 N -5.27 4.51 0.60 0.07 1.01 -1.26 -5.02 121.20 115.83 1yae s ILE 680 Ca -0.12 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 1yae s ILE 680 Cb 0.13 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1yae s ILE 680 CO 0.83 -0.07 1.13 -1.61 0.00 0.00 0.00 174.94 175.22 1yae s GLU 681 N 1.57 3.09 -0.02 2.79 2.02 -1.08 -4.85 118.70 122.23 1yae s GLU 681 Ca 0.03 1.54 -0.13 0.00 0.02 0.00 0.00 54.97 56.43 1yae s GLU 681 Cb -0.18 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.09 1yae s GLU 681 CO 0.06 -1.04 0.27 1.52 0.02 0.00 0.00 175.26 176.09 1yae s TYR 682 N -1.99 -0.14 0.19 1.61 1.13 -1.26 -0.34 117.35 116.54 1yae s TYR 682 Ca 0.71 0.22 -0.13 0.00 -1.41 0.00 0.00 57.07 56.46 1yae s TYR 682 Cb -0.23 0.06 0.05 0.00 -1.10 0.00 0.00 41.96 40.74 1yae s TYR 682 CO 0.33 -0.34 0.62 0.41 -2.51 0.00 0.00 175.55 174.06 1yae n GLY 683 N 1.47 1.04 3.26 5.49 0.00 -1.00 -4.83 105.19 110.63 1yae n GLY 683 Ca -0.21 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.71 1.41 -0.03 4.61 0.00 -1.26 -0.61 121.76 124.17 1yae s ALA 684 Ca 0.13 -1.83 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 1yae s ALA 684 Cb -0.03 1.41 -0.05 0.00 0.00 0.00 0.00 23.12 24.45 1yae s ALA 684 CO 0.06 -0.64 1.52 0.08 0.00 0.00 0.00 175.76 176.78 1yae s VAL 685 N -3.81 3.63 0.20 0.00 1.01 -1.26 -1.41 120.40 118.76 1yae s VAL 685 Ca 0.39 0.90 -0.31 0.00 0.00 0.00 0.00 61.98 62.96 1yae s VAL 685 Cb 0.05 -3.58 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1yae s VAL 685 CO 0.19 -0.04 1.53 -0.70 0.00 0.00 0.00 175.10 176.08 1yae s GLU 686 N 3.22 4.22 -2.03 2.72 2.12 -0.20 -2.38 118.70 126.38 1yae s GLU 686 Ca 0.68 2.36 0.00 0.00 0.36 0.00 0.00 54.97 58.37 1yae s GLU 686 Cb -0.32 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1yae s GLU 686 CO 0.27 -0.55 0.00 -0.25 -0.54 0.00 0.00 175.26 174.19 1yae n ASP 687 N 3.38 -5.33 -4.87 -1.70 8.00 -1.26 -4.99 116.55 109.77 1yae n ASP 687 Ca 0.11 0.47 -0.21 0.00 0.71 0.00 0.00 54.79 55.87 1yae n ASP 687 Cb 0.39 -4.52 0.06 0.00 -0.02 0.00 0.00 41.12 37.04 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 -2.79 1.80 0.28 0.44 0.00 -1.00 -4.79 107.32 101.25 1yae s GLY 688 Ca 0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 44.72 43.09 1yae s GLY 688 CO 0.00 -1.21 1.91 0.00 0.00 0.00 0.00 173.10 173.80 1yae h ALA 689 N -0.09 1.41 0.09 3.20 0.00 -1.95 0.31 119.26 122.22 1yae h ALA 689 Ca -0.38 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1yae h ALA 689 Cb 1.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1yae h ALA 689 CO 0.46 0.48 -0.14 1.15 0.00 0.00 0.00 179.25 181.20 1yae h THR 690 N 1.17 0.69 0.16 0.00 2.02 -1.93 -1.44 112.91 113.59 1yae h THR 690 Ca 0.40 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.57 1yae h THR 690 Cb 0.08 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1yae h THR 690 CO -0.14 0.00 -0.08 0.24 0.37 0.00 0.00 175.52 175.91 1yae h MET 691 N -0.28 -0.21 -0.98 6.66 2.07 -1.58 -2.80 114.93 117.81 1yae h MET 691 Ca 0.02 0.01 0.27 0.00 -2.07 0.00 0.00 59.70 57.93 1yae h MET 691 Cb 0.29 0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 30.01 1yae h MET 691 CO -0.07 -0.06 0.68 1.15 1.07 0.00 0.00 176.91 179.68 1yae h THR 692 N -0.32 0.54 0.02 2.22 2.02 -0.87 -0.83 112.91 115.69 1yae h THR 692 Ca -0.02 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1yae h THR 692 Cb 0.25 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1yae h THR 692 CO 0.04 0.03 -0.09 0.15 0.37 0.00 0.00 175.52 176.02 1yae h PHE 693 N 0.16 -0.22 -0.37 3.16 3.57 -0.98 -2.77 116.94 119.49 1yae h PHE 693 Ca 0.50 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.90 1yae h PHE 693 Cb 1.67 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.49 1yae h PHE 693 CO -0.00 -0.14 -0.20 0.74 -2.23 0.00 0.00 178.31 176.48 1yae h PHE 694 N -0.16 0.79 -0.80 0.41 0.04 -1.20 -0.35 116.94 115.67 1yae h PHE 694 Ca 0.03 -0.17 0.12 0.00 2.80 0.00 0.00 57.97 60.75 1yae h PHE 694 Cb 0.20 -0.19 -0.13 0.00 2.20 0.00 0.00 35.95 38.02 1yae h PHE 694 CO -0.14 0.85 -0.40 -0.22 -0.60 0.00 0.00 178.31 177.80 1yae h LYS 695 N 0.62 -0.09 0.00 1.51 3.64 -1.34 -3.25 116.57 117.66 1yae h LYS 695 Ca 0.09 0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.23 1yae h LYS 695 Cb 0.68 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 1yae h LYS 695 CO 0.05 -0.06 -1.51 0.87 -2.27 0.00 0.00 179.45 176.53 1yae h LYS 696 N -0.09 0.00 -6.36 1.90 1.79 -0.99 -3.48 116.57 109.33 1yae h LYS 696 Ca 0.27 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 58.11 1yae h LYS 696 Cb 0.56 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.32 1yae h LYS 696 CO -0.84 0.50 0.00 0.45 -1.08 0.00 0.00 179.45 178.49 1yae n SER 697 N -3.05 0.77 -1.17 0.86 2.88 -0.24 -4.89 113.62 108.78 1yae n SER 697 Ca -0.12 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.69 1yae n SER 697 Cb 0.97 -1.21 0.26 0.00 -0.75 0.00 0.00 64.21 63.48 1yae n SER 697 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1yae n LYS 698 N 0.85 2.62 -2.95 -1.46 4.76 -1.26 -4.56 118.16 116.15 1yae n LYS 698 Ca 0.12 -2.43 -0.36 0.00 -2.87 0.00 0.00 58.31 52.77 1yae n LYS 698 Cb 0.30 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.93 1yae n LYS 698 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1yae s ILE 699 N -1.14 4.42 -0.01 -0.18 1.01 -1.26 -4.98 121.20 119.07 1yae s ILE 699 Ca 0.41 1.48 -0.24 0.00 0.00 0.00 0.00 60.65 62.31 1yae s ILE 699 Cb 0.22 -3.87 -0.16 0.00 0.01 0.00 0.00 42.46 38.67 1yae s ILE 699 CO 0.30 0.10 1.12 -1.28 0.00 0.00 0.00 174.94 175.17 1yae h SER 700 N 3.07 -0.35 0.38 3.58 0.87 -1.98 0.74 113.55 119.87 1yae h SER 700 Ca -0.48 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 59.88 1yae h SER 700 Cb 1.19 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1yae h SER 700 CO 0.65 0.06 -0.09 0.74 -0.53 0.00 0.00 176.83 177.66 1yae h THR 701 N -0.83 0.44 0.09 2.23 2.02 -1.98 0.34 112.91 115.22 1yae h THR 701 Ca -0.04 -0.45 -0.25 0.00 0.77 0.00 0.00 66.41 66.44 1yae h THR 701 Cb 0.52 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1yae h THR 701 CO 0.07 0.09 -1.31 1.88 0.37 0.00 0.00 175.52 176.62 1yae h TYR 702 N 0.00 0.35 -0.74 3.16 0.05 -1.96 -2.92 116.97 114.90 1yae h TYR 702 Ca -0.00 -0.25 0.05 0.00 0.05 0.00 0.00 58.73 58.57 1yae h TYR 702 Cb 0.30 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 1yae h TYR 702 CO 0.00 1.51 0.49 0.22 -1.05 0.00 0.00 178.16 179.33 1yae h ASP 703 N -0.44 0.73 -0.36 3.88 3.58 -0.54 -1.63 116.42 121.64 1yae h ASP 703 Ca -0.29 -0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.20 1yae h ASP 703 Cb 1.65 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.49 1yae h ASP 703 CO 0.02 0.49 0.11 0.50 -2.88 0.00 0.00 179.24 177.47 1yae h LYS 704 N 0.84 0.24 -0.45 0.28 3.11 -0.42 -2.85 116.57 117.33 1yae h LYS 704 Ca 0.31 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 58.07 1yae h LYS 704 Cb 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 1yae h LYS 704 CO -0.10 0.16 0.02 0.52 -2.81 0.00 0.00 179.45 177.24 1yae h MET 705 N 0.25 0.72 -0.49 1.90 2.86 -1.11 -2.63 114.93 116.44 1yae h MET 705 Ca 0.16 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1yae h MET 705 Cb 0.16 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1yae h MET 705 CO -0.18 0.73 0.28 2.35 1.06 0.00 0.00 176.91 181.14 1yae h TRP 706 N 0.68 0.66 -0.51 -0.22 2.91 -1.33 -1.39 115.95 116.77 1yae h TRP 706 Ca 0.14 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.22 1yae h TRP 706 Cb 0.40 -0.21 -0.06 0.00 -0.51 0.00 0.00 29.16 28.77 1yae h TRP 706 CO 0.02 0.48 0.17 0.00 -1.03 0.00 0.00 178.44 178.08 1yae h ALA 707 N 1.12 0.61 0.34 2.65 0.00 -1.24 0.20 119.26 122.94 1yae h ALA 707 Ca 0.17 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1yae h ALA 707 Cb 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1yae h ALA 707 CO -0.03 -0.23 -0.38 0.35 0.00 0.00 0.00 179.25 178.96 1yae h PHE 708 N 0.34 -1.04 -0.51 0.00 3.57 -1.11 -1.74 116.94 116.46 1yae h PHE 708 Ca 0.25 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 1yae h PHE 708 Cb 0.27 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1yae h PHE 708 CO -0.17 -0.52 0.05 0.52 -2.23 0.00 0.00 178.31 175.96 1yae h MET 709 N -0.75 0.82 -0.07 1.11 2.86 -1.07 -2.65 114.93 115.18 1yae h MET 709 Ca -0.02 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1yae h MET 709 Cb 0.69 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1yae h MET 709 CO -0.09 0.79 0.04 0.77 1.06 0.00 0.00 176.91 179.48 1yae h SER 710 N 0.78 0.09 0.30 1.22 0.02 -0.46 -1.29 113.55 114.21 1yae h SER 710 Ca 0.16 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1yae h SER 710 Cb 0.40 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1yae h SER 710 CO 0.01 0.12 -0.12 0.77 -1.14 0.00 0.00 176.83 176.47 1yae h SER 711 N 0.05 0.00 -0.72 3.07 4.64 -1.19 -2.91 113.55 116.49 1yae h SER 711 Ca 0.03 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.84 1yae h SER 711 Cb 0.05 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.80 1yae h SER 711 CO -0.00 0.12 -0.36 0.54 -0.87 0.00 0.00 176.83 176.26 1yae n ARG 712 N -3.78 3.11 -0.18 4.77 1.74 -0.97 -4.89 116.66 116.46 1yae n ARG 712 Ca -0.02 -3.83 -0.03 0.00 -0.77 0.00 0.00 57.85 53.20 1yae n ARG 712 Cb 0.23 -2.20 0.04 0.00 -1.02 0.00 0.00 32.46 29.51 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 1.95 -0.04 0.00 5.56 2.43 -1.04 0.02 114.38 123.25 1yae h ARG 713 Ca 0.39 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.48 1yae h ARG 713 Cb 1.38 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 1yae h ARG 713 CO 0.86 -0.03 -0.36 1.96 -1.51 0.00 0.00 179.97 180.89 1yae h GLN 714 N -0.04 0.00 0.00 0.20 1.08 -1.89 -2.34 115.11 112.13 1yae h GLN 714 Ca 0.26 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.12 1yae h GLN 714 Cb 0.44 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.81 1yae h GLN 714 CO -0.58 0.36 -2.12 -1.13 -0.95 0.00 0.00 178.83 174.41 1yae n SER 715 N -3.38 0.47 -0.12 1.46 3.41 -0.97 -4.67 113.62 109.83 1yae n SER 715 Ca 0.01 0.16 -0.23 0.00 -0.26 0.00 0.00 58.87 58.55 1yae n SER 715 Cb 0.55 0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 64.88 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 -2.90 1.54 -2.79 -3.33 0.31 -0.05 -4.95 118.33 106.15 1yae n VAL 716 Ca -0.27 -0.46 -0.40 0.00 -0.01 0.00 0.00 64.34 63.19 1yae n VAL 716 Cb 1.11 -1.68 -0.05 0.00 -0.91 0.00 0.00 33.84 32.31 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 -7.07 4.56 0.34 7.52 1.43 -0.88 -4.34 118.68 120.25 1yae s LEU 717 Ca -0.35 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.63 1yae s LEU 717 Cb 0.11 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 1yae s LEU 717 CO 0.57 0.06 0.34 -0.69 0.23 0.00 0.00 176.35 176.87 1yae s VAL 718 N -0.59 3.57 -0.48 -1.59 1.01 -0.50 -4.86 120.40 116.96 1yae s VAL 718 Ca 0.42 -1.28 0.19 0.00 0.00 0.00 0.00 61.98 61.32 1yae s VAL 718 Cb -0.24 -3.21 -0.25 0.00 0.00 0.00 0.00 36.38 32.67 1yae s VAL 718 CO 0.30 -0.15 0.62 1.17 0.00 0.00 0.00 175.10 177.04 1yae n LYS 719 N -1.46 0.67 -3.65 2.72 3.00 -1.26 -1.03 118.16 117.15 1yae n LYS 719 Ca -0.01 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.31 58.13 1yae n LYS 719 Cb 0.60 -1.43 -0.02 0.00 0.00 0.00 0.00 35.03 34.18 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 -3.49 -0.38 0.13 3.14 1.04 -1.26 -4.81 113.70 108.07 1yae s SER 720 Ca 0.00 -0.31 -0.22 0.00 0.48 0.00 0.00 55.95 55.90 1yae s SER 720 Cb 0.13 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 1yae s SER 720 CO 0.79 -1.12 1.68 0.78 0.98 0.00 0.00 173.24 176.36 1yae h ASN 721 N 2.00 -0.39 -0.97 7.02 2.35 -1.99 -1.77 115.58 121.83 1yae h ASN 721 Ca -0.26 0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.62 1yae h ASN 721 Cb 1.27 0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.78 1yae h ASN 721 CO 0.30 -0.16 0.63 1.05 -1.65 0.00 0.00 177.43 177.60 1yae h GLU 722 N -0.14 1.17 -0.71 0.81 9.09 -1.99 0.31 114.58 123.10 1yae h GLU 722 Ca 0.09 -0.07 -0.01 0.00 0.05 0.00 0.00 59.36 59.42 1yae h GLU 722 Cb 0.28 -0.26 -0.03 0.00 -1.65 0.00 0.00 28.75 27.08 1yae h GLU 722 CO -0.22 0.77 0.41 1.49 0.05 0.00 0.00 179.01 181.51 1yae h GLU 723 N 1.20 0.99 -0.08 1.06 4.81 -1.87 -1.38 114.58 119.30 1yae h GLU 723 Ca 0.39 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1yae h GLU 723 Cb 0.05 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1yae h GLU 723 CO -0.13 0.72 0.02 0.78 -0.73 0.00 0.00 179.01 179.67 1yae h GLY 724 N 0.98 0.14 0.70 1.92 0.00 -0.35 -1.15 103.07 105.32 1yae h GLY 724 Ca 0.25 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1yae h GLY 724 CO -0.04 0.08 -0.01 -2.22 0.00 0.00 0.00 176.54 174.35 1yae h ILE 725 N -0.09 0.86 0.00 2.60 2.04 -0.87 -1.05 117.51 121.01 1yae h ILE 725 Ca 0.03 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 1yae h ILE 725 Cb 0.25 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1yae h ILE 725 CO 0.00 0.01 -0.38 0.06 0.00 0.00 0.00 178.15 177.84 1yae h GLN 726 N 0.05 0.00 0.00 2.37 -0.00 -1.25 -1.54 115.11 114.74 1yae h GLN 726 Ca 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.71 1yae h GLN 726 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.59 1yae h GLN 726 CO -0.15 0.38 -0.13 -0.09 -0.00 0.00 0.00 178.83 178.84 1yae h ARG 727 N 0.00 0.00 0.04 0.06 9.65 -0.46 -0.42 114.38 123.25 1yae h ARG 727 Ca -0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 1yae h ARG 727 Cb 0.68 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.27 1yae h ARG 727 CO 0.05 0.13 -0.30 0.28 2.80 0.00 0.00 179.97 182.93 1yae h VAL 728 N 0.00 1.65 -0.34 0.20 2.07 -0.28 -2.46 116.25 117.09 1yae h VAL 728 Ca -0.00 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.20 1yae h VAL 728 Cb 0.60 3.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.55 1yae h VAL 728 CO 0.02 0.62 0.19 -0.07 0.02 0.00 0.00 177.57 178.35 1yae h LEU 729 N -0.69 0.41 0.08 2.57 4.07 -1.20 -3.32 115.31 117.23 1yae h LEU 729 Ca -0.05 -0.02 -0.34 0.00 0.08 0.00 0.00 57.88 57.55 1yae h LEU 729 Cb 1.19 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.80 1yae h LEU 729 CO 0.06 0.33 -1.90 0.41 -1.08 0.00 0.00 178.44 176.26 1yae n THR 730 N -4.45 1.69 -3.17 0.22 -1.04 -0.18 -5.00 114.28 102.35 1yae n THR 730 Ca 0.02 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1yae n THR 730 Cb 0.09 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 1yae n THR 730 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1yae n SER 731 N -3.71 0.92 -4.16 8.00 2.88 -0.93 -5.06 113.62 111.56 1yae n SER 731 Ca -0.34 -0.71 -0.38 0.00 -1.33 0.00 0.00 58.87 56.10 1yae n SER 731 Cb 0.95 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.36 1yae n SER 731 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1yae s ASP 732 N -0.74 6.27 -0.02 -3.46 2.15 -1.26 -4.78 116.67 114.84 1yae s ASP 732 Ca 0.00 -3.66 -0.00 0.00 0.43 0.00 0.00 52.55 49.32 1yae s ASP 732 Cb 0.00 -1.98 0.03 0.00 -0.30 0.00 0.00 42.92 40.67 1yae s ASP 732 CO 0.00 -0.22 0.03 -0.47 -0.17 0.00 0.00 175.17 174.35 1yae s TYR 733 N -1.28 0.03 -0.26 -5.34 5.04 -1.26 -2.62 117.35 111.67 1yae s TYR 733 Ca 0.28 0.14 -0.13 0.00 -2.44 0.00 0.00 57.07 54.92 1yae s TYR 733 Cb -0.08 -0.25 -0.04 0.00 0.35 0.00 0.00 41.96 41.94 1yae s TYR 733 CO -0.11 -0.09 0.27 0.00 -1.34 0.00 0.00 175.55 174.28 1yae s ALA 734 N 1.12 3.56 -0.26 3.97 0.00 0.54 -4.56 121.76 126.13 1yae s ALA 734 Ca -0.08 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 1yae s ALA 734 Cb -0.13 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1yae s ALA 734 CO -0.03 -0.52 0.27 0.12 0.00 0.00 0.00 175.76 175.60 1yae s PHE 735 N 1.74 3.26 -0.76 0.00 5.36 -0.40 -2.36 117.98 124.82 1yae s PHE 735 Ca 0.11 0.29 -0.24 0.00 -0.96 0.00 0.00 56.93 56.13 1yae s PHE 735 Cb -0.15 -2.45 0.06 0.00 -0.34 0.00 0.00 43.02 40.14 1yae s PHE 735 CO 0.09 -0.14 1.17 -0.51 -1.46 0.00 0.00 175.22 174.37 1yae s LEU 736 N 1.72 3.84 0.22 6.12 1.43 0.22 -0.46 118.68 131.77 1yae s LEU 736 Ca 0.11 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1yae s LEU 736 Cb -0.15 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 1yae s LEU 736 CO 0.09 -1.58 -0.01 0.00 0.23 0.00 0.00 176.35 175.09 1yae s MET 737 N 4.73 1.28 0.02 1.70 0.23 -0.76 -4.46 119.30 122.05 1yae s MET 737 Ca 0.31 -1.64 -0.30 0.00 -1.03 0.00 0.00 55.69 53.03 1yae s MET 737 Cb -0.10 -0.56 -0.05 0.00 -1.53 0.00 0.00 34.83 32.58 1yae s MET 737 CO 0.08 -0.09 1.29 -1.21 -2.03 0.00 0.00 175.02 173.06 1yae s GLU 738 N -3.86 4.35 0.31 3.16 2.02 -1.26 -0.89 118.70 122.52 1yae s GLU 738 Ca 0.27 1.85 0.05 0.00 0.02 0.00 0.00 54.97 57.16 1yae s GLU 738 Cb 0.05 -3.45 0.82 0.00 0.10 0.00 0.00 34.13 31.65 1yae s GLU 738 CO 0.07 -0.42 1.61 0.66 0.02 0.00 0.00 175.26 177.20 1yae h SER 739 N 7.27 -0.11 -0.81 -0.19 4.64 -0.78 0.28 113.55 123.84 1yae h SER 739 Ca -0.39 0.23 0.11 0.00 -0.47 0.00 0.00 61.79 61.28 1yae h SER 739 Cb 1.19 0.34 -0.08 0.00 -0.31 0.00 0.00 62.40 63.54 1yae h SER 739 CO 0.86 -0.26 0.44 0.00 -0.87 0.00 0.00 176.83 177.00 1yae h THR 740 N 0.11 0.83 0.00 2.95 1.03 -1.90 0.40 112.91 116.32 1yae h THR 740 Ca 0.61 -0.24 -0.22 0.00 -0.01 0.00 0.00 66.41 66.56 1yae h THR 740 Cb 1.32 0.08 -0.03 0.00 -1.07 0.00 0.00 68.15 68.44 1yae h THR 740 CO -0.76 0.13 -1.07 0.74 -0.01 0.00 0.00 175.52 174.54 1yae h THR 741 N 0.69 1.63 0.30 0.00 2.02 -0.86 -3.20 112.91 113.48 1yae h THR 741 Ca 0.41 -3.36 -0.00 0.00 0.77 0.00 0.00 66.41 64.23 1yae h THR 741 Cb 0.48 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.68 1yae h THR 741 CO -0.30 0.93 -0.24 0.40 0.37 0.00 0.00 175.52 176.69 1yae h ILE 742 N 0.00 0.50 -1.06 3.11 2.04 -0.54 -2.46 117.51 119.09 1yae h ILE 742 Ca -0.04 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.13 1yae h ILE 742 Cb 1.80 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 1yae h ILE 742 CO 0.13 0.00 0.76 -0.08 0.00 0.00 0.00 178.15 178.95 1yae h GLU 743 N -0.54 0.04 0.09 2.37 4.81 -1.01 0.16 114.58 120.50 1yae h GLU 743 Ca -0.02 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1yae h GLU 743 Cb 0.48 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1yae h GLU 743 CO -0.02 0.02 -0.04 0.35 -0.73 0.00 0.00 179.01 178.60 1yae h PHE 744 N 0.04 -0.11 -0.23 0.92 3.57 -1.45 -3.30 116.94 116.39 1yae h PHE 744 Ca 0.51 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.94 1yae h PHE 744 Cb 1.98 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.74 1yae h PHE 744 CO -0.00 0.42 -0.18 0.28 -2.23 0.00 0.00 178.31 176.60 1yae h VAL 745 N -0.87 1.23 -0.68 1.41 2.07 -0.87 -3.13 116.25 115.40 1yae h VAL 745 Ca -0.01 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1yae h VAL 745 Cb 0.58 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1yae h VAL 745 CO 0.02 0.34 0.44 0.74 0.02 0.00 0.00 177.57 179.13 1yae h THR 746 N 0.36 1.18 -0.29 2.57 2.02 -0.85 -0.03 112.91 117.87 1yae h THR 746 Ca 0.06 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1yae h THR 746 Cb 0.53 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1yae h THR 746 CO 0.03 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.10 1yae n GLN 747 N -4.60 2.72 0.00 6.66 10.64 -1.19 -3.75 117.38 127.86 1yae n GLN 747 Ca 0.06 -1.49 0.00 0.00 -1.83 0.00 0.00 57.00 53.74 1yae n GLN 747 Cb 0.02 -1.78 0.00 0.00 -0.86 0.00 0.00 30.24 27.62 1yae n GLN 747 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1yae n ARG 748 N 0.34 2.13 -4.15 2.61 5.12 -0.79 -4.44 116.66 117.49 1yae n ARG 748 Ca 0.13 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.79 1yae n ARG 748 Cb 0.65 -0.85 -0.17 0.00 -1.16 0.00 0.00 32.46 30.93 1yae n ARG 748 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1yae s ASN 749 N -1.74 1.98 0.00 0.55 3.84 -0.09 -5.03 114.94 114.45 1yae s ASN 749 Ca 0.00 -0.29 0.15 0.00 0.21 0.00 0.00 52.86 52.93 1yae s ASN 749 Cb 0.00 -0.82 0.51 0.00 -0.55 0.00 0.00 41.25 40.39 1yae s ASN 749 CO 0.00 -0.06 1.39 0.00 -2.79 0.00 0.00 177.10 175.64 1yae n ASN 751 N 0.48 0.60 -4.53 0.00 2.85 -1.26 -4.94 115.26 108.45 1yae n ASN 751 Ca 0.14 -0.28 -0.34 0.00 -0.11 0.00 0.00 54.58 53.99 1yae n ASN 751 Cb 0.32 0.94 -0.12 0.00 1.24 0.00 0.00 39.78 42.16 1yae n ASN 751 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1yae s LEU 752 N -3.88 3.04 0.10 1.20 1.43 -1.21 -2.17 118.68 117.19 1yae s LEU 752 Ca 0.03 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1yae s LEU 752 Cb 0.15 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1yae s LEU 752 CO 0.82 0.32 -0.08 0.42 0.23 0.00 0.00 176.35 178.06 1yae s THR 753 N -0.56 0.78 0.02 5.49 -4.23 0.34 -4.74 115.64 112.73 1yae s THR 753 Ca 0.08 -1.85 -0.20 0.00 -1.18 0.00 0.00 61.69 58.55 1yae s THR 753 Cb -0.12 -1.58 -0.06 0.00 1.34 0.00 0.00 72.50 72.08 1yae s THR 753 CO 0.02 -0.78 0.56 -1.58 -0.54 0.00 0.00 174.62 172.30 1yae s GLN 754 N -3.52 4.25 -0.20 3.99 0.74 -1.26 -1.16 119.66 122.50 1yae s GLN 754 Ca 0.10 0.70 -0.03 0.00 0.05 0.00 0.00 55.36 56.17 1yae s GLN 754 Cb 0.03 -3.30 -0.01 0.00 1.10 0.00 0.00 33.01 30.82 1yae s GLN 754 CO -0.03 0.48 -0.06 0.42 -0.55 0.00 0.00 175.29 175.55 1yae s ILE 755 N -0.54 3.37 0.02 -2.34 1.09 -0.29 -4.98 121.20 117.53 1yae s ILE 755 Ca 0.29 -0.51 0.00 0.00 -1.10 0.00 0.00 60.65 59.33 1yae s ILE 755 Cb -0.18 -2.50 0.00 0.00 -1.06 0.00 0.00 42.46 38.71 1yae s ILE 755 CO 0.17 0.45 0.00 0.61 -0.10 0.00 0.00 174.94 176.07 1yae n GLY 756 N 4.40 -2.06 0.00 6.18 0.00 -1.23 -3.67 105.19 108.82 1yae n GLY 756 Ca -0.18 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.52 1.65 3.79 -0.02 0.00 -1.26 -4.87 105.19 103.95 1yae n GLY 757 Ca 0.00 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 1yae n GLY 757 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yae s LEU 758 N 0.00 3.77 -0.04 0.99 1.43 -1.26 -4.59 118.68 118.97 1yae s LEU 758 Ca 0.00 2.02 0.13 0.00 -1.03 0.00 0.00 54.13 55.25 1yae s LEU 758 Cb 0.00 -4.57 -0.19 0.00 0.03 0.00 0.00 46.19 41.46 1yae s LEU 758 CO 0.00 -1.01 0.24 -0.38 0.23 0.00 0.00 176.35 175.43 1yae n ILE 759 N -1.23 0.17 -4.00 -0.59 -0.00 0.98 -4.97 119.36 109.72 1yae n ILE 759 Ca 0.10 -0.34 -0.12 0.00 -0.00 0.00 0.00 62.75 62.39 1yae n ILE 759 Cb 0.52 0.03 -0.03 0.00 -0.00 0.00 0.00 39.64 40.15 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 -2.06 -0.98 -4.30 4.38 5.75 -1.26 -4.90 116.55 113.18 1yae n ASP 760 Ca -0.06 -2.52 -0.35 0.00 -0.01 0.00 0.00 54.79 51.85 1yae n ASP 760 Cb 0.45 1.87 -0.14 0.00 -1.03 0.00 0.00 41.12 42.27 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 -2.72 4.16 0.00 -1.12 0.15 -1.26 -4.25 113.70 108.66 1yae s SER 761 Ca 0.24 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1yae s SER 761 Cb -0.00 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1yae s SER 761 CO 0.17 0.01 0.00 1.17 1.20 0.00 0.00 173.24 175.79 1yae n LYS 762 N 4.62 0.00 0.00 5.44 3.00 -0.20 -4.98 118.16 126.04 1yae n LYS 762 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1yae n LYS 762 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 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 4.90 1.62 3.81 3.14 0.00 -1.26 -4.74 105.19 112.66 1yae n GLY 763 Ca 0.00 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 1yae n GLY 763 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yae s TYR 764 N -0.61 3.49 0.21 1.61 2.02 0.28 -1.83 117.35 122.53 1yae s TYR 764 Ca 0.00 0.42 0.09 0.00 -0.37 0.00 0.00 57.07 57.21 1yae s TYR 764 Cb 0.00 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 1yae s TYR 764 CO 0.00 0.59 -0.17 0.20 -1.57 0.00 0.00 175.55 174.60 1yae s GLY 765 N -0.67 1.54 0.36 0.71 0.00 -1.16 -1.01 107.32 107.08 1yae s GLY 765 Ca 0.13 -1.66 -0.28 0.00 0.00 0.00 0.00 44.72 42.90 1yae s GLY 765 CO 0.02 -1.74 1.39 0.14 0.00 0.00 0.00 173.10 172.91 1yae s VAL 766 N -2.55 2.42 0.15 1.40 1.01 -1.26 -4.66 120.40 116.90 1yae s VAL 766 Ca 0.22 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.66 1yae s VAL 766 Cb -0.03 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1yae s VAL 766 CO 0.09 0.10 0.15 -0.83 0.00 0.00 0.00 175.10 174.61 1yae s GLY 767 N -0.35 1.77 -0.26 4.51 0.00 -0.25 -0.94 107.32 111.80 1yae s GLY 767 Ca 0.51 -1.14 -0.25 0.00 0.00 0.00 0.00 44.72 43.83 1yae s GLY 767 CO 0.57 -1.15 0.78 -1.08 0.00 0.00 0.00 173.10 172.23 1yae s THR 768 N -1.69 0.00 0.55 0.90 -1.32 -0.25 -0.43 115.64 113.41 1yae s THR 768 Ca 0.31 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.60 1yae s THR 768 Cb -0.11 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.81 1yae s THR 768 CO 0.24 0.00 0.81 -0.81 -2.21 0.00 0.00 174.62 172.65 1yae n PRO 769 N 2.48 0.82 -1.61 7.08 -0.04 -1.26 -1.10 135.00 141.37 1yae n PRO 769 Ca -0.14 0.31 -0.62 0.00 -0.04 0.00 0.00 63.50 63.01 1yae n PRO 769 Cb 0.55 -1.96 -0.09 0.00 -0.04 0.00 0.00 33.50 31.96 1yae n PRO 769 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1yae n MET 770 N -0.44 0.11 -3.42 0.54 1.56 -1.26 -2.98 117.12 111.23 1yae n MET 770 Ca 0.12 0.04 -0.17 0.00 -0.27 0.00 0.00 57.70 57.42 1yae n MET 770 Cb 0.46 -1.56 0.03 0.00 2.15 0.00 0.00 33.22 34.30 1yae n MET 770 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1yae n GLY 771 N 2.66 -1.16 3.87 -5.12 0.00 -1.26 -4.94 105.19 99.25 1yae n GLY 771 Ca 0.25 0.51 -0.34 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.23 6.66 0.61 1.61 0.15 -1.16 -4.97 113.70 113.37 1yae s SER 772 Ca 0.25 0.85 0.32 0.00 0.70 0.00 0.00 55.95 58.07 1yae s SER 772 Cb -0.07 -2.20 1.85 0.00 -1.71 0.00 0.00 66.02 63.89 1yae s SER 772 CO 0.81 0.10 2.19 1.55 1.20 0.00 0.00 173.24 179.09 1yae h PRO 773 N 3.38 0.00 0.04 5.44 0.13 -1.94 -3.20 132.00 135.85 1yae h PRO 773 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.34 1yae h PRO 773 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1yae h PRO 773 CO 0.67 0.00 -1.72 1.88 -0.23 0.00 0.00 178.00 178.60 1yae h TYR 774 N 0.00 0.14 -0.48 1.56 0.05 -1.98 -3.41 116.97 112.86 1yae h TYR 774 Ca 0.04 -0.11 0.09 0.00 0.05 0.00 0.00 58.73 58.80 1yae h TYR 774 Cb 0.26 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 37.89 1yae h TYR 774 CO 0.00 1.21 -0.37 -0.09 -1.05 0.00 0.00 178.16 177.86 1yae h ARG 775 N 0.02 -0.23 -0.33 4.88 2.43 -1.96 -1.46 114.38 117.73 1yae h ARG 775 Ca -0.30 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.84 1yae h ARG 775 Cb 2.01 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.59 1yae h ARG 775 CO 0.09 -0.15 0.00 -0.44 -1.51 0.00 0.00 179.97 177.96 1yae h ASP 776 N -0.24 0.48 -0.34 -3.80 5.19 -1.80 -2.22 116.42 113.69 1yae h ASP 776 Ca 0.18 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 1yae h ASP 776 Cb 0.56 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1yae h ASP 776 CO -0.61 0.55 0.12 0.11 -3.12 0.00 0.00 179.24 176.28 1yae h LYS 777 N 0.49 0.51 -0.70 3.56 6.56 -1.52 -2.85 116.57 122.63 1yae h LYS 777 Ca 0.11 -0.10 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1yae h LYS 777 Cb 0.32 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.87 1yae h LYS 777 CO 0.01 0.53 0.38 0.82 -2.06 0.00 0.00 179.45 179.13 1yae h ILE 778 N 0.39 1.22 -0.45 1.86 2.04 -0.93 -1.72 117.51 119.92 1yae h ILE 778 Ca 0.11 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1yae h ILE 778 Cb 0.22 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1yae h ILE 778 CO -0.01 0.24 0.20 0.74 0.00 0.00 0.00 178.15 179.32 1yae h THR 779 N 0.96 0.93 -0.83 -0.27 2.02 -1.37 0.31 112.91 114.65 1yae h THR 779 Ca 0.25 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1yae h THR 779 Cb 0.04 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1yae h THR 779 CO -0.04 0.07 0.49 0.40 0.37 0.00 0.00 175.52 176.82 1yae h ILE 780 N 0.40 1.24 -0.34 3.11 2.04 -1.24 -1.71 117.51 121.02 1yae h ILE 780 Ca 0.20 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1yae h ILE 780 Cb 0.14 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1yae h ILE 780 CO -0.16 0.25 0.21 0.00 0.00 0.00 0.00 178.15 178.44 1yae h ALA 781 N 1.26 0.43 -0.80 1.87 0.00 -0.38 -1.15 119.26 120.49 1yae h ALA 781 Ca 0.30 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1yae h ALA 781 Cb -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1yae h ALA 781 CO -0.05 -0.08 0.53 0.82 0.00 0.00 0.00 179.25 180.46 1yae h ILE 782 N 0.44 1.16 -0.22 0.00 2.04 -0.07 -0.46 117.51 120.40 1yae h ILE 782 Ca 0.12 -0.35 -0.21 0.00 1.00 0.00 0.00 64.86 65.42 1yae h ILE 782 Cb -0.00 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1yae h ILE 782 CO -0.02 0.19 -0.68 -0.07 0.00 0.00 0.00 178.15 177.57 1yae h LEU 783 N 1.02 0.96 -0.13 1.44 3.38 -1.00 -1.35 115.31 119.64 1yae h LEU 783 Ca 0.31 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1yae h LEU 783 Cb -0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1yae h LEU 783 CO -0.08 1.38 -0.05 -0.61 0.09 0.00 0.00 178.44 179.17 1yae h GLN 784 N 0.60 -0.03 -0.49 1.13 4.15 -0.63 -0.58 115.11 119.26 1yae h GLN 784 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1yae h GLN 784 Cb 1.30 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 1yae h GLN 784 CO 0.14 -0.02 0.11 -0.07 -1.93 0.00 0.00 178.83 177.06 1yae h LEU 785 N -0.03 0.69 -0.15 -2.39 3.38 -1.09 -1.44 115.31 114.27 1yae h LEU 785 Ca 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1yae h LEU 785 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1yae h LEU 785 CO -0.16 0.69 0.08 -0.61 0.09 0.00 0.00 178.44 178.54 1yae h GLN 786 N 0.72 0.21 0.00 1.13 5.75 -0.60 -1.94 115.11 120.38 1yae h GLN 786 Ca 0.16 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.60 1yae h GLN 786 Cb 0.28 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1yae h GLN 786 CO -0.00 0.21 -0.17 1.05 -2.65 0.00 0.00 178.83 177.27 1yae h GLU 787 N 0.15 0.00 0.00 1.69 4.11 -0.93 -2.76 114.58 116.84 1yae h GLU 787 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1yae h GLU 787 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1yae h GLU 787 CO -0.01 0.17 0.00 0.39 0.07 0.00 0.00 179.01 179.64 1yae n GLU 788 N -3.16 0.08 0.00 1.06 1.02 -0.56 -4.91 120.64 114.18 1yae n GLU 788 Ca 0.03 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1yae n GLU 788 Cb 0.58 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1yae n GLU 788 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yae n GLY 789 N 1.08 1.52 0.37 0.62 0.00 -1.04 -4.94 105.19 102.79 1yae n GLY 789 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.26 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 3.27 0.07 -0.02 1.61 1.79 -1.59 0.46 116.57 122.17 1yae h LYS 790 Ca 0.00 -0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1yae h LYS 790 Cb 0.00 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1yae h LYS 790 CO 0.00 0.05 -0.93 -0.07 -1.08 0.00 0.00 179.45 177.42 1yae h LEU 791 N 0.07 0.64 0.10 2.94 -0.00 -1.77 -2.52 115.31 114.77 1yae h LEU 791 Ca 0.24 -0.50 -0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1yae h LEU 791 Cb 0.87 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1yae h LEU 791 CO -0.02 1.29 -0.05 -0.74 -0.00 0.00 0.00 178.44 178.92 1yae h HIS 792 N 0.29 -0.12 -0.87 1.13 2.76 -1.58 -2.90 115.15 113.86 1yae h HIS 792 Ca -0.08 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.19 1yae h HIS 792 Cb 1.56 0.04 -0.12 0.00 1.55 0.00 0.00 27.41 30.45 1yae h HIS 792 CO 0.07 0.33 -0.44 -1.33 -1.30 0.00 0.00 177.93 175.25 1yae n MET 793 N -4.92 -0.31 0.34 5.26 2.81 0.05 0.15 117.12 120.49 1yae n MET 793 Ca -0.09 1.33 -0.17 0.00 -1.81 0.00 0.00 57.70 56.97 1yae n MET 793 Cb 0.26 -1.96 -0.08 0.00 -0.71 0.00 0.00 33.22 30.72 1yae n MET 793 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1yae h MET 794 N 0.00 -0.81 -0.66 0.03 2.07 -1.52 0.42 114.93 114.45 1yae h MET 794 Ca 0.21 0.06 0.13 0.00 -2.07 0.00 0.00 59.70 58.02 1yae h MET 794 Cb 0.43 0.19 -0.13 0.00 -1.87 0.00 0.00 31.60 30.22 1yae h MET 794 CO -0.84 -0.51 -0.22 -0.22 1.07 0.00 0.00 176.91 176.19 1yae h LYS 795 N -0.97 -0.05 -0.50 1.72 1.63 -1.18 0.26 116.57 117.48 1yae h LYS 795 Ca -0.09 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.82 1yae h LYS 795 Cb 0.69 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.23 1yae h LYS 795 CO 0.14 -0.03 -0.14 1.49 -3.45 0.00 0.00 179.45 177.46 1yae h GLU 796 N -0.05 -0.02 0.40 1.90 4.57 0.10 0.08 114.58 121.56 1yae h GLU 796 Ca 0.30 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1yae h GLU 796 Cb 0.52 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 1yae h GLU 796 CO -0.71 -0.01 -0.44 -0.22 -1.18 0.00 0.00 179.01 176.45 1yae h LYS 797 N -0.02 -0.83 0.00 1.92 3.64 0.17 -3.04 116.57 118.40 1yae h LYS 797 Ca 0.24 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1yae h LYS 797 Cb 0.38 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1yae h LYS 797 CO -0.52 -0.55 -0.21 -1.49 -2.27 0.00 0.00 179.45 174.40 1yae h TRP 798 N -0.86 0.00 -0.30 1.91 4.06 -0.53 -3.18 115.95 117.05 1yae h TRP 798 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1yae h TRP 798 Cb 0.77 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 1yae h TRP 798 CO -0.25 0.00 0.00 0.91 -3.56 0.00 0.00 178.44 175.54 1yae n TRP 799 N -2.37 0.38 -1.20 0.49 8.01 -0.02 -4.87 117.44 117.85 1yae n TRP 799 Ca 0.04 -0.19 -0.34 0.00 -1.31 0.00 0.00 57.50 55.71 1yae n TRP 799 Cb 0.45 0.00 0.12 0.00 -2.01 0.00 0.00 31.31 29.87 1yae n TRP 799 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55 1yae n ARG 800 N 1.47 0.32 -2.40 -0.99 0.00 -1.15 -4.90 116.66 109.02 1yae n ARG 800 Ca 0.18 0.18 -0.42 0.00 -0.00 0.00 0.00 57.85 57.79 1yae n ARG 800 Cb 0.61 -2.42 0.00 0.00 0.00 0.00 0.00 32.46 30.65 1yae n ARG 800 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1yae n GLY 801 N 0.66 4.88 0.00 5.14 0.00 -1.26 -4.97 105.19 109.64 1yae n GLY 801 Ca 0.14 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1yae n GLY 801 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48