#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 0.15 -1.68 -1.44 -6.64 -1.26 -4.78 119.36 103.71 1yae n ILE 424 Ca 0.00 -0.23 -0.46 0.00 -1.77 0.00 0.00 62.75 60.29 1yae n ILE 424 Cb 0.00 0.01 -0.04 0.00 -1.44 0.00 0.00 39.64 38.17 1yae n ILE 424 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1yae n THR 425 N -1.93 0.29 -1.58 7.28 -2.24 -1.26 -0.37 114.28 114.47 1yae n THR 425 Ca -0.05 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1yae n THR 425 Cb 0.37 -1.82 -0.04 0.00 -2.10 0.00 0.00 70.33 66.73 1yae n THR 425 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1yae n ASP 426 N 5.09 -3.33 -0.38 3.42 8.00 -1.11 -4.86 116.55 123.38 1yae n ASP 426 Ca 0.19 0.28 0.34 0.00 0.71 0.00 0.00 54.79 56.31 1yae n ASP 426 Cb 0.32 -3.08 0.59 0.00 -0.02 0.00 0.00 41.12 38.93 1yae n ASP 426 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1yae n SER 427 N -0.68 0.25 -3.17 -2.24 7.64 0.50 -0.83 113.62 115.09 1yae n SER 427 Ca -0.13 1.38 -0.23 0.00 1.01 0.00 0.00 58.87 60.91 1yae n SER 427 Cb 0.44 -0.68 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 1yae n SER 427 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yae n LEU 428 N -4.77 1.80 -0.03 -3.43 -0.00 -1.19 -4.96 117.00 104.42 1yae n LEU 428 Ca 0.36 -5.12 -0.13 0.00 -0.00 0.00 0.00 56.01 51.12 1yae n LEU 428 Cb 1.35 0.25 -0.09 0.00 -0.00 0.00 0.00 43.42 44.93 1yae n LEU 428 CO 0.10 2.21 0.59 -1.28 -0.00 0.00 0.00 177.39 179.02 1yae h SER 429 N 3.42 0.20 -1.19 1.45 0.87 -1.08 -3.25 113.55 113.97 1yae h SER 429 Ca 0.11 -0.52 -0.60 0.00 -1.23 0.00 0.00 61.79 59.55 1yae h SER 429 Cb 0.81 -0.06 -0.17 0.00 -0.44 0.00 0.00 62.40 62.54 1yae h SER 429 CO 0.60 0.68 1.09 -3.20 -0.53 0.00 0.00 176.83 175.47 1yae n ASN 430 N -4.68 7.06 -3.90 6.23 5.15 -1.26 -4.45 115.26 119.40 1yae n ASN 430 Ca -0.08 -3.24 -0.20 0.00 -0.60 0.00 0.00 54.58 50.46 1yae n ASN 430 Cb 0.33 -1.26 -0.16 0.00 -0.53 0.00 0.00 39.78 38.16 1yae n ASN 430 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1yae s ARG 431 N -1.78 0.87 -0.23 1.20 3.52 -1.23 -5.09 118.95 116.22 1yae s ARG 431 Ca 0.56 -0.12 -0.06 0.00 -0.13 0.00 0.00 55.73 55.98 1yae s ARG 431 Cb 0.32 -0.85 -0.02 0.00 -1.56 0.00 0.00 34.95 32.83 1yae s ARG 431 CO -0.19 -0.07 0.02 0.45 -0.81 0.00 0.00 175.30 174.70 1yae s SER 432 N 0.88 4.82 0.09 -2.12 0.15 -1.26 -1.69 113.70 114.58 1yae s SER 432 Ca -0.12 -0.25 0.06 0.00 0.70 0.00 0.00 55.95 56.34 1yae s SER 432 Cb -0.14 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 1yae s SER 432 CO 0.00 -0.00 -0.06 -0.76 1.20 0.00 0.00 173.24 173.62 1yae s LEU 433 N 1.40 3.21 -0.33 3.45 1.02 0.33 -4.96 118.68 122.79 1yae s LEU 433 Ca 0.05 -0.29 -0.10 0.00 0.02 0.00 0.00 54.13 53.81 1yae s LEU 433 Cb -0.15 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.09 1yae s LEU 433 CO 0.01 0.18 0.16 -0.63 0.02 0.00 0.00 176.35 176.09 1yae s ILE 434 N -1.24 4.51 -0.26 -0.59 -1.09 -1.26 -0.44 121.20 120.82 1yae s ILE 434 Ca 0.23 -0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 57.98 1yae s ILE 434 Cb -0.11 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 1yae s ILE 434 CO 0.15 -0.01 0.12 -0.69 -1.23 0.00 0.00 174.94 173.28 1yae s VAL 435 N 1.58 4.70 0.03 2.92 1.01 0.33 -0.76 120.40 130.21 1yae s VAL 435 Ca 0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1yae s VAL 435 Cb -0.18 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1yae s VAL 435 CO 0.06 0.29 0.39 0.28 0.00 0.00 0.00 175.10 176.13 1yae s THR 436 N 1.67 5.07 0.37 3.92 -1.32 -0.39 -0.15 115.64 124.82 1yae s THR 436 Ca 0.07 0.66 -0.08 0.00 -1.21 0.00 0.00 61.69 61.13 1yae s THR 436 Cb -0.16 -3.67 0.03 0.00 -1.51 0.00 0.00 72.50 67.19 1yae s THR 436 CO 0.07 0.46 0.62 0.28 -2.21 0.00 0.00 174.62 173.83 1yae s THR 437 N -1.21 0.00 0.05 5.08 -1.32 -0.69 -2.52 115.64 115.03 1yae s THR 437 Ca 0.27 -1.34 0.03 0.00 -1.21 0.00 0.00 61.69 59.43 1yae s THR 437 Cb -0.15 -2.79 -0.03 0.00 -1.51 0.00 0.00 72.50 68.02 1yae s THR 437 CO 0.15 0.00 -0.09 -0.51 -2.21 0.00 0.00 174.62 171.96 1yae s ILE 438 N -2.63 0.62 -0.14 5.08 2.07 -1.26 -0.46 121.20 124.48 1yae s ILE 438 Ca 0.24 -1.16 -0.29 0.00 -1.41 0.00 0.00 60.65 58.03 1yae s ILE 438 Cb -0.03 -0.73 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 1yae s ILE 438 CO 0.17 -0.39 1.08 -0.76 -1.91 0.00 0.00 174.94 173.13 1yae s LEU 439 N -1.69 4.20 -0.30 8.50 1.43 -1.26 -4.54 118.68 125.02 1yae s LEU 439 Ca -0.08 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 1yae s LEU 439 Cb -0.09 -3.55 0.16 0.00 0.03 0.00 0.00 46.19 42.74 1yae s LEU 439 CO 0.00 -0.57 0.85 -0.70 0.23 0.00 0.00 176.35 176.16 1yae s GLU 440 N 2.57 0.40 0.21 1.70 2.56 -0.61 -4.98 118.70 120.55 1yae s GLU 440 Ca 0.49 0.95 -0.30 0.00 0.00 0.00 0.00 54.97 56.11 1yae s GLU 440 Cb -0.19 0.56 -0.08 0.00 2.00 0.00 0.00 34.13 36.42 1yae s GLU 440 CO 0.15 -0.20 1.06 -2.00 -0.56 0.00 0.00 175.26 173.71 1yae s GLU 441 N 2.68 4.66 -0.51 4.30 2.12 -1.26 0.02 118.70 130.72 1yae s GLU 441 Ca -0.01 1.69 0.02 0.00 0.36 0.00 0.00 54.97 57.03 1yae s GLU 441 Cb -0.09 -3.26 0.52 0.00 0.26 0.00 0.00 34.13 31.56 1yae s GLU 441 CO -0.18 0.20 1.81 -0.35 -0.54 0.00 0.00 175.26 176.21 1yae n PRO 442 N 1.89 2.56 -0.01 4.30 -0.04 -1.26 -4.94 135.00 137.50 1yae n PRO 442 Ca 0.01 -3.31 -0.18 0.00 -0.04 0.00 0.00 63.50 59.97 1yae n PRO 442 Cb 0.46 -2.19 -0.14 0.00 -0.04 0.00 0.00 33.50 31.59 1yae n PRO 442 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1yae h TYR 443 N 1.60 0.29 -3.18 0.54 0.05 -0.76 -1.06 116.97 114.46 1yae h TYR 443 Ca 0.53 -0.21 -0.30 0.00 0.05 0.00 0.00 58.73 58.80 1yae h TYR 443 Cb 1.60 -0.01 -0.36 0.00 1.01 0.00 0.00 36.73 38.97 1yae h TYR 443 CO 1.35 1.23 -0.65 0.08 -1.05 0.00 0.00 178.16 179.12 1yae s VAL 444 N -2.35 -0.19 0.07 -2.88 1.01 -0.49 -1.36 120.40 114.20 1yae s VAL 444 Ca -0.17 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1yae s VAL 444 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 1yae s VAL 444 CO 0.75 0.14 0.18 -1.48 0.00 0.00 0.00 175.10 174.69 1yae s LEU 445 N 2.02 1.47 0.23 3.92 -0.00 -0.18 -1.57 118.68 124.57 1yae s LEU 445 Ca 0.01 -0.55 -0.30 0.00 -0.00 0.00 0.00 54.13 53.29 1yae s LEU 445 Cb -0.12 0.95 -0.09 0.00 -0.00 0.00 0.00 46.19 46.93 1yae s LEU 445 CO -0.05 -0.65 1.01 -0.36 -0.00 0.00 0.00 176.35 176.30 1yae s PHE 446 N -3.30 3.81 0.37 3.48 0.08 -1.26 -1.07 117.98 120.09 1yae s PHE 446 Ca 0.01 1.81 -0.28 0.00 0.12 0.00 0.00 56.93 58.59 1yae s PHE 446 Cb 0.02 -3.11 -0.10 0.00 -0.57 0.00 0.00 43.02 39.27 1yae s PHE 446 CO -0.08 0.02 1.36 0.15 -0.10 0.00 0.00 175.22 176.57 1yae s LYS 447 N -1.08 4.14 0.05 0.44 1.02 0.35 -4.82 119.74 119.84 1yae s LYS 447 Ca 0.43 2.30 -0.30 0.00 0.02 0.00 0.00 55.97 58.41 1yae s LYS 447 Cb -0.28 -2.93 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1yae s LYS 447 CO 0.35 -0.40 1.18 0.15 -0.92 0.00 0.00 175.35 175.71 1yae s LYS 448 N -2.04 4.44 0.07 1.68 1.02 -1.26 -4.99 119.74 118.65 1yae s LYS 448 Ca 0.53 1.73 -0.21 0.00 0.02 0.00 0.00 55.97 58.04 1yae s LYS 448 Cb -0.41 -3.37 0.05 0.00 -0.52 0.00 0.00 37.83 33.58 1yae s LYS 448 CO 0.54 -0.25 0.51 0.45 -0.92 0.00 0.00 175.35 175.68 1yae s SER 449 N 1.09 -0.42 -0.09 2.83 0.15 -1.26 -5.05 113.70 110.95 1yae s SER 449 Ca 0.58 0.09 -0.23 0.00 0.70 0.00 0.00 55.95 57.10 1yae s SER 449 Cb -0.28 0.50 -0.29 0.00 -1.71 0.00 0.00 66.02 64.24 1yae s SER 449 CO 0.29 -0.76 0.77 -2.24 1.20 0.00 0.00 173.24 172.50 1yae h ASP 450 N 2.67 0.31 -3.90 5.45 3.04 -2.07 -3.46 116.42 118.46 1yae h ASP 450 Ca -0.31 -0.93 -0.48 0.00 -3.24 0.00 0.00 57.03 52.06 1yae h ASP 450 Cb 1.23 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 1yae h ASP 450 CO 0.42 1.33 0.22 -1.59 -2.04 0.00 0.00 179.24 177.58 1yae s LYS 451 N -2.38 3.88 0.51 4.15 0.00 -1.26 -5.05 119.74 119.60 1yae s LYS 451 Ca -0.17 0.70 -0.23 0.00 0.00 0.00 0.00 55.97 56.27 1yae s LYS 451 Cb 0.01 -2.29 -0.06 0.00 0.00 0.00 0.00 37.83 35.49 1yae s LYS 451 CO 0.77 -0.10 1.36 -1.25 0.00 0.00 0.00 175.35 176.13 1yae s PRO 452 N -3.82 3.35 0.03 1.78 0.04 -1.26 -5.04 135.00 130.09 1yae s PRO 452 Ca 0.55 2.25 0.06 0.00 0.04 0.00 0.00 61.00 63.90 1yae s PRO 452 Cb -0.10 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1yae s PRO 452 CO 0.29 -1.03 -0.15 -0.51 0.04 0.00 0.00 177.00 175.64 1yae s LEU 453 N -3.25 2.76 -0.05 -3.56 1.43 -1.26 -5.12 118.68 109.63 1yae s LEU 453 Ca 0.68 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1yae s LEU 453 Cb -0.40 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1yae s LEU 453 CO 0.49 0.26 -0.22 -0.31 0.23 0.00 0.00 176.35 176.80 1yae s TYR 454 N -0.95 2.17 0.00 0.29 2.02 -1.26 -4.70 117.35 114.92 1yae s TYR 454 Ca 0.15 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1yae s TYR 454 Cb -0.11 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 40.02 1yae s TYR 454 CO 0.06 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 1yae n GLY 455 N 2.98 1.50 0.26 0.71 0.00 -1.26 -2.86 105.19 106.51 1yae n GLY 455 Ca -0.17 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.26 1yae n GLY 455 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1yae h ASN 456 N 9.35 0.00 0.00 1.61 2.35 -1.92 -2.03 115.58 124.94 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 0.17 -0.78 -1.65 0.00 0.00 177.43 175.17 1yae h ASP 457 N 0.00 0.00 0.76 5.81 3.58 -1.92 -2.41 116.42 122.24 1yae h ASP 457 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1yae h ASP 457 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1yae h ASP 457 CO -0.00 0.00 0.00 0.03 -2.88 0.00 0.00 179.24 176.39 1yae h ARG 458 N 0.00 0.00 -6.59 0.28 3.08 -1.52 -3.45 114.38 106.18 1yae h ARG 458 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 1yae h ARG 458 Cb 0.35 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.23 1yae h ARG 458 CO 0.00 0.00 -0.77 -0.06 -1.07 0.00 0.00 179.97 178.07 1yae s PHE 459 N -3.54 2.58 0.33 3.04 0.08 -0.91 -0.50 117.98 119.06 1yae s PHE 459 Ca 0.02 -0.24 0.07 0.00 0.12 0.00 0.00 56.93 56.89 1yae s PHE 459 Cb 0.09 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 1yae s PHE 459 CO 0.45 0.45 0.29 -1.83 -0.10 0.00 0.00 175.22 174.47 1yae s GLU 460 N -2.46 1.76 0.00 0.44 -1.05 -0.23 -4.80 118.70 112.36 1yae s GLU 460 Ca 0.21 -2.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.03 1yae s GLU 460 Cb -0.10 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 1yae s GLU 460 CO 0.12 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 176.09 1yae n GLY 461 N -0.61 3.14 0.36 -3.83 0.00 -1.26 -1.01 105.19 101.98 1yae n GLY 461 Ca 0.07 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.01 0.00 1.61 3.20 -0.75 -1.42 116.97 118.60 1yae h TYR 462 Ca 0.00 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1yae h TYR 462 Cb 0.00 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1yae h TYR 462 CO 0.00 -0.41 -0.18 0.00 -1.64 0.00 0.00 178.16 175.93 1yae h ILE 464 N 0.00 1.30 -0.42 0.00 1.08 -1.43 -0.59 117.51 117.46 1yae h ILE 464 Ca -0.00 -1.31 -0.01 0.00 -0.39 0.00 0.00 64.86 63.15 1yae h ILE 464 Cb 0.37 1.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 1yae h ILE 464 CO 0.02 0.42 0.22 0.44 -0.69 0.00 0.00 178.15 178.56 1yae h ASP 465 N 0.36 0.53 -0.73 1.72 3.32 -0.54 -1.25 116.42 119.82 1yae h ASP 465 Ca 0.06 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.09 1yae h ASP 465 Cb 0.72 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.07 1yae h ASP 465 CO 0.05 0.48 0.39 0.25 -1.72 0.00 0.00 179.24 178.69 1yae h LEU 466 N 0.54 0.54 -0.11 1.55 5.85 -0.80 0.34 115.31 123.22 1yae h LEU 466 Ca 0.15 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1yae h LEU 466 Cb 0.08 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1yae h LEU 466 CO -0.02 0.32 0.03 0.25 -0.34 0.00 0.00 178.44 178.67 1yae h LEU 467 N 0.67 0.17 -0.58 2.25 6.46 -0.68 0.15 115.31 123.75 1yae h LEU 467 Ca 0.35 -0.23 0.12 0.00 -0.12 0.00 0.00 57.88 58.00 1yae h LEU 467 Cb 0.33 -0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.12 1yae h LEU 467 CO -0.24 0.36 0.01 0.03 -0.62 0.00 0.00 178.44 177.97 1yae h ARG 468 N -0.03 0.12 0.11 1.25 3.08 -0.84 0.19 114.38 118.27 1yae h ARG 468 Ca 0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1yae h ARG 468 Cb 0.25 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1yae h ARG 468 CO 0.00 0.08 -0.05 0.93 -1.07 0.00 0.00 179.97 179.86 1yae h GLU 469 N 0.13 -0.14 -0.89 0.04 4.39 -0.52 0.03 114.58 117.61 1yae h GLU 469 Ca 0.30 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.09 1yae h GLU 469 Cb 0.47 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1yae h GLU 469 CO -0.48 0.02 0.58 -0.07 -1.16 0.00 0.00 179.01 177.89 1yae h LEU 470 N -0.28 0.83 -0.28 1.33 3.38 -0.30 -1.99 115.31 118.00 1yae h LEU 470 Ca -0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1yae h LEU 470 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1yae h LEU 470 CO 0.02 0.51 0.02 0.77 0.09 0.00 0.00 178.44 179.85 1yae h SER 471 N 0.93 0.46 -0.48 -0.43 4.64 -0.31 -0.00 113.55 118.35 1yae h SER 471 Ca 0.40 -0.29 0.07 0.00 -0.47 0.00 0.00 61.79 61.50 1yae h SER 471 Cb 0.33 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 62.20 1yae h SER 471 CO -0.16 0.64 -0.49 0.74 -0.87 0.00 0.00 176.83 176.68 1yae h THR 472 N 0.27 0.05 0.41 2.95 2.02 -0.37 0.73 112.91 118.97 1yae h THR 472 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1yae h THR 472 Cb 0.39 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1yae h THR 472 CO 0.01 0.00 -0.20 0.40 0.37 0.00 0.00 175.52 176.10 1yae h ILE 473 N -0.32 0.56 0.00 3.11 2.04 -1.29 -3.27 117.51 118.34 1yae h ILE 473 Ca 0.12 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1yae h ILE 473 Cb 0.58 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1yae h ILE 473 CO -0.64 0.07 -0.30 0.18 0.00 0.00 0.00 178.15 177.46 1yae n LEU 474 N -5.23 0.56 -1.53 1.44 4.77 -0.02 -2.76 117.00 114.23 1yae n LEU 474 Ca -0.10 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 1yae n LEU 474 Cb 0.28 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1yae n LEU 474 CO 0.32 -0.05 -0.12 0.61 -1.33 0.00 0.00 177.39 176.82 1yae n GLY 475 N 1.39 -0.12 3.96 -0.72 0.00 0.25 -3.18 105.19 106.78 1yae n GLY 475 Ca 0.05 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1yae n GLY 475 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yae s PHE 476 N -2.69 3.43 0.01 1.61 -0.12 -1.24 -4.10 117.98 114.88 1yae s PHE 476 Ca 0.04 0.09 -0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1yae s PHE 476 Cb -0.02 -1.74 -0.04 0.00 -0.63 0.00 0.00 43.02 40.59 1yae s PHE 476 CO 0.05 0.27 0.12 0.95 -0.05 0.00 0.00 175.22 176.56 1yae s THR 477 N -2.13 4.96 0.01 -4.49 -4.23 -0.68 -4.82 115.64 104.26 1yae s THR 477 Ca 0.37 -0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1yae s THR 477 Cb -0.09 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.44 1yae s THR 477 CO 0.32 0.31 0.07 -0.72 -0.54 0.00 0.00 174.62 174.05 1yae s TYR 478 N -1.27 0.13 -0.17 3.99 1.13 -1.26 0.12 117.35 120.02 1yae s TYR 478 Ca 0.26 -0.30 0.00 0.00 -1.41 0.00 0.00 57.07 55.62 1yae s TYR 478 Cb -0.12 -0.11 0.01 0.00 -1.10 0.00 0.00 41.96 40.64 1yae s TYR 478 CO 0.17 -0.25 -0.16 -2.00 -2.51 0.00 0.00 175.55 170.80 1yae s GLU 479 N -1.41 3.13 0.13 -3.49 2.12 0.41 -4.92 118.70 114.67 1yae s GLU 479 Ca -0.15 -0.77 -0.27 0.00 0.36 0.00 0.00 54.97 54.13 1yae s GLU 479 Cb -0.09 -2.64 -0.07 0.00 0.26 0.00 0.00 34.13 31.59 1yae s GLU 479 CO 0.00 -0.11 0.85 0.42 -0.54 0.00 0.00 175.26 175.89 1yae s ILE 480 N 1.10 4.44 -0.06 -3.70 1.01 -1.26 -0.51 121.20 122.22 1yae s ILE 480 Ca 0.00 1.85 -0.03 0.00 0.00 0.00 0.00 60.65 62.48 1yae s ILE 480 Cb -0.14 -4.22 0.04 0.00 0.01 0.00 0.00 42.46 38.15 1yae s ILE 480 CO -0.06 0.42 0.13 -0.60 0.00 0.00 0.00 174.94 174.83 1yae s ARG 481 N -0.56 0.03 0.43 2.79 3.52 0.79 -4.87 118.95 121.08 1yae s ARG 481 Ca 0.40 0.42 -0.23 0.00 -0.13 0.00 0.00 55.73 56.20 1yae s ARG 481 Cb -0.23 -0.27 -0.09 0.00 -1.56 0.00 0.00 34.95 32.81 1yae s ARG 481 CO 0.27 -0.24 1.06 -0.48 -0.81 0.00 0.00 175.30 175.10 1yae s LEU 482 N 1.72 4.05 -0.08 -0.88 2.34 -1.26 -1.70 118.68 122.86 1yae s LEU 482 Ca -0.03 2.03 -0.37 0.00 0.06 0.00 0.00 54.13 55.82 1yae s LEU 482 Cb -0.12 -4.29 -0.15 0.00 -0.56 0.00 0.00 46.19 41.07 1yae s LEU 482 CO -0.05 -0.60 1.65 0.52 -1.06 0.00 0.00 176.35 176.80 1yae n VAL 483 N -0.35 0.25 -0.11 1.48 0.31 0.39 -4.80 118.33 115.49 1yae n VAL 483 Ca 0.06 -0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.28 1yae n VAL 483 Cb 0.50 -1.31 0.01 0.00 -0.91 0.00 0.00 33.84 32.14 1yae n VAL 483 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1yae h GLU 484 N 6.79 0.33 0.00 5.55 9.09 -1.91 -1.84 114.58 132.58 1yae h GLU 484 Ca -0.47 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1yae h GLU 484 Cb 1.30 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1yae h GLU 484 CO 0.90 0.22 -0.02 -0.40 0.05 0.00 0.00 179.01 179.75 1yae n ASP 485 N -4.97 0.47 -0.68 3.06 5.75 -1.26 -4.94 116.55 113.98 1yae n ASP 485 Ca 0.01 0.52 -0.07 0.00 -0.01 0.00 0.00 54.79 55.24 1yae n ASP 485 Cb 0.11 -0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 39.55 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 1.39 0.42 3.40 6.12 0.00 -0.69 -5.04 105.19 110.79 1yae n GLY 486 Ca 0.06 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.62 1.47 -0.07 1.61 -0.14 -1.26 -5.06 119.74 112.66 1yae s LYS 487 Ca 0.00 -1.55 -0.27 0.00 -1.36 0.00 0.00 55.97 52.79 1yae s LYS 487 Cb 0.00 -1.61 -0.22 0.00 -1.68 0.00 0.00 37.83 34.32 1yae s LYS 487 CO 0.00 0.33 1.05 1.88 -0.76 0.00 0.00 175.35 177.84 1yae h TYR 488 N 2.94 -0.01 0.00 3.18 -1.99 -1.94 -1.60 116.97 117.55 1yae h TYR 488 Ca -0.43 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1yae h TYR 488 Cb 1.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.96 1yae h TYR 488 CO 0.72 0.66 0.00 0.41 -0.00 0.00 0.00 178.16 179.95 1yae n GLY 489 N 0.78 1.52 3.62 3.88 0.00 -1.26 -0.97 105.19 112.77 1yae n GLY 489 Ca -0.09 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 3.10 -0.18 4.61 0.00 -1.26 -4.80 121.76 123.24 1yae s ALA 490 Ca 0.00 -1.65 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 1yae s ALA 490 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1yae s ALA 490 CO 0.00 0.29 0.52 -1.14 0.00 0.00 0.00 175.76 175.44 1yae s GLN 491 N -3.55 4.23 0.08 0.00 0.74 -1.26 -2.43 119.66 117.48 1yae s GLN 491 Ca 0.30 0.45 -0.31 0.00 0.05 0.00 0.00 55.36 55.86 1yae s GLN 491 Cb -0.07 -3.53 -0.10 0.00 1.10 0.00 0.00 33.01 30.42 1yae s GLN 491 CO 0.19 -0.08 1.90 0.34 -0.55 0.00 0.00 175.29 177.09 1yae s ASP 492 N 1.02 6.43 0.11 6.67 -1.08 0.37 -4.87 116.67 125.33 1yae s ASP 492 Ca 0.25 2.72 -0.35 0.00 -0.52 0.00 0.00 52.55 54.66 1yae s ASP 492 Cb -0.15 -2.55 -0.14 0.00 -1.46 0.00 0.00 42.92 38.61 1yae s ASP 492 CO 0.10 -1.03 1.55 -2.24 0.52 0.00 0.00 175.17 174.07 1yae h ASP 493 N 9.56 -1.62 0.97 -0.34 2.03 -1.96 0.20 116.42 125.27 1yae h ASP 493 Ca -0.48 0.17 -0.05 0.00 -0.73 0.00 0.00 57.03 55.95 1yae h ASP 493 Cb 1.23 0.60 0.01 0.00 -0.83 0.00 0.00 39.33 40.34 1yae h ASP 493 CO 0.94 -0.55 -0.48 0.58 -1.03 0.00 0.00 179.24 178.71 1yae h VAL 494 N -0.74 0.00 -0.37 4.15 2.07 -2.00 -3.35 116.25 116.02 1yae h VAL 494 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yae h VAL 494 Cb 0.75 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1yae h VAL 494 CO -0.31 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 176.82 1yae n ASN 495 N -5.57 3.79 -4.15 0.57 0.23 -1.24 -5.00 115.26 103.89 1yae n ASN 495 Ca -0.16 -2.57 -0.32 0.00 -0.53 0.00 0.00 54.58 51.00 1yae n ASN 495 Cb 0.52 -0.45 -0.04 0.00 -2.08 0.00 0.00 39.78 37.74 1yae n ASN 495 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1yae n GLY 496 N 0.18 -0.32 3.59 4.83 0.00 0.71 -4.96 105.19 109.22 1yae n GLY 496 Ca 0.19 0.14 -0.34 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 -6.87 2.83 0.30 1.61 -0.21 -1.25 -4.77 119.66 111.30 1yae s GLN 497 Ca 0.38 -0.53 -0.18 0.00 0.02 0.00 0.00 55.36 55.04 1yae s GLN 497 Cb -0.21 -2.63 -0.09 0.00 1.00 0.00 0.00 33.01 31.08 1yae s GLN 497 CO 0.93 0.65 0.78 -1.58 -2.12 0.00 0.00 175.29 173.94 1yae s TRP 498 N -0.76 3.50 0.05 0.91 0.52 -1.26 -0.48 118.94 121.42 1yae s TRP 498 Ca 0.12 1.38 0.00 0.00 0.02 0.00 0.00 56.10 57.61 1yae s TRP 498 Cb -0.11 -2.64 0.00 0.00 -1.15 0.00 0.00 33.47 29.57 1yae s TRP 498 CO 0.02 0.17 0.00 0.27 0.02 0.00 0.00 176.95 177.43 1yae n ASN 499 N 0.08 0.47 0.00 2.95 6.94 -1.02 -4.60 115.26 120.09 1yae n ASN 499 Ca 0.02 0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1yae n ASN 499 Cb 0.52 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 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 3.17 0.87 0.35 4.83 0.00 -1.26 -4.23 105.19 108.91 1yae n GLY 500 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.41 -0.58 1.61 2.86 -0.01 -1.88 114.93 117.35 1yae h MET 501 Ca 0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1yae h MET 501 Cb 0.00 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.52 1yae h MET 501 CO 0.00 0.27 0.30 0.28 1.06 0.00 0.00 176.91 178.82 1yae h VAL 502 N 0.43 0.94 0.03 -2.22 2.07 -1.75 -2.15 116.25 113.59 1yae h VAL 502 Ca 0.26 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1yae h VAL 502 Cb 0.45 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1yae h VAL 502 CO -0.07 0.10 -0.01 -0.09 0.02 0.00 0.00 177.57 177.52 1yae h ARG 503 N 0.56 -0.04 -0.84 1.57 1.12 -1.53 -2.94 114.38 112.28 1yae h ARG 503 Ca 0.26 0.00 0.21 0.00 -1.11 0.00 0.00 59.98 59.35 1yae h ARG 503 Cb 0.18 0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.10 1yae h ARG 503 CO -0.18 0.09 0.58 0.93 -3.11 0.00 0.00 179.97 178.27 1yae h GLU 504 N -0.16 0.21 -0.10 0.20 5.08 -0.98 -1.39 114.58 117.44 1yae h GLU 504 Ca -0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1yae h GLU 504 Cb 0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1yae h GLU 504 CO 0.01 0.14 -0.27 -0.07 -1.00 0.00 0.00 179.01 177.81 1yae h LEU 505 N 0.22 0.41 0.26 1.33 3.38 -1.23 0.19 115.31 119.86 1yae h LEU 505 Ca 0.42 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1yae h LEU 505 Cb 1.31 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1yae h LEU 505 CO -0.09 0.93 -0.12 0.40 0.09 0.00 0.00 178.44 179.65 1yae h ILE 506 N -0.09 0.75 0.00 1.22 2.04 -1.15 -1.14 117.51 119.14 1yae h ILE 506 Ca -0.01 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1yae h ILE 506 Cb 0.89 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1yae h ILE 506 CO 0.06 0.01 0.00 0.47 0.00 0.00 0.00 178.15 178.69 1yae n ASP 507 N -5.23 0.03 -4.51 1.72 8.00 -0.65 -4.81 116.55 111.09 1yae n ASP 507 Ca -0.10 -0.65 -0.42 0.00 0.71 0.00 0.00 54.79 54.34 1yae n ASP 507 Cb 0.16 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.17 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 -0.43 -1.21 0.28 1.24 8.25 -0.43 -4.80 115.22 118.12 1yae n HIS 508 Ca 0.00 0.69 0.12 0.00 -0.26 0.00 0.00 57.72 58.27 1yae n HIS 508 Cb 0.01 -2.00 0.16 0.00 1.12 0.00 0.00 29.99 29.28 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 -0.97 0.00 -4.73 -0.41 6.56 -1.18 -3.47 116.57 112.37 1yae h LYS 509 Ca -0.60 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 58.70 1yae h LYS 509 Cb 1.39 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 32.85 1yae h LYS 509 CO 0.88 0.00 -0.73 0.00 -2.06 0.00 0.00 179.45 177.54 1yae s ALA 510 N -3.23 0.79 -0.16 3.86 0.00 -1.09 -4.94 121.76 116.99 1yae s ALA 510 Ca 0.06 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 1yae s ALA 510 Cb 0.08 0.04 -0.23 0.00 0.00 0.00 0.00 23.12 23.01 1yae s ALA 510 CO 0.69 -0.03 0.25 -0.25 0.00 0.00 0.00 175.76 176.42 1yae n ASP 511 N 1.08 2.04 -4.07 0.00 8.00 0.06 -4.63 116.55 119.02 1yae n ASP 511 Ca -0.20 0.25 -0.16 0.00 0.71 0.00 0.00 54.79 55.39 1yae n ASP 511 Cb 0.56 -0.86 -0.13 0.00 -0.02 0.00 0.00 41.12 40.67 1yae n ASP 511 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yae s LEU 512 N -7.26 2.17 -0.34 0.64 1.02 -1.13 -4.04 118.68 109.74 1yae s LEU 512 Ca -0.26 -0.41 0.01 0.00 0.02 0.00 0.00 54.13 53.49 1yae s LEU 512 Cb 0.07 -0.34 0.08 0.00 0.02 0.00 0.00 46.19 46.02 1yae s LEU 512 CO 0.70 -0.06 0.05 0.00 0.02 0.00 0.00 176.35 177.06 1yae s ALA 513 N -0.90 2.89 -0.45 4.21 0.00 -1.00 -1.26 121.76 125.25 1yae s ALA 513 Ca -0.03 -2.24 -0.09 0.00 0.00 0.00 0.00 51.96 49.60 1yae s ALA 513 Cb -0.07 -2.01 0.10 0.00 0.00 0.00 0.00 23.12 21.14 1yae s ALA 513 CO 0.01 -1.54 0.31 0.08 0.00 0.00 0.00 175.76 174.61 1yae s VAL 514 N 1.07 4.21 0.10 0.00 1.01 -1.05 -0.68 120.40 125.07 1yae s VAL 514 Ca 0.03 -1.63 -0.27 0.00 0.00 0.00 0.00 61.98 60.12 1yae s VAL 514 Cb -0.20 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.56 1yae s VAL 514 CO -0.05 -0.67 1.01 0.00 0.00 0.00 0.00 175.10 175.39 1yae s ALA 515 N 1.39 -1.78 -0.51 5.51 0.00 -1.26 -4.62 121.76 120.49 1yae s ALA 515 Ca 0.05 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 1yae s ALA 515 Cb -0.25 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1yae s ALA 515 CO 0.00 -0.99 1.71 -0.35 0.00 0.00 0.00 175.76 176.14 1yae n PRO 516 N -0.43 1.27 -3.16 0.00 -0.04 -1.26 -4.72 135.00 126.66 1yae n PRO 516 Ca -0.07 -1.01 -0.42 0.00 -0.04 0.00 0.00 63.50 61.95 1yae n PRO 516 Cb 0.61 -2.21 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 1yae n PRO 516 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1yae s LEU 517 N 0.05 4.47 0.18 1.53 0.20 -1.26 -5.03 118.68 118.83 1yae s LEU 517 Ca 0.26 -0.24 -0.31 0.00 0.69 0.00 0.00 54.13 54.53 1yae s LEU 517 Cb 0.07 -2.67 -0.09 0.00 -0.43 0.00 0.00 46.19 43.07 1yae s LEU 517 CO -0.02 -0.67 1.38 0.00 -0.29 0.00 0.00 176.35 176.75 1yae s ALA 518 N 2.65 3.58 -0.45 5.97 0.00 -1.26 -3.11 121.76 129.15 1yae s ALA 518 Ca 0.21 1.17 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 1yae s ALA 518 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1yae s ALA 518 CO 0.17 -0.62 1.54 0.42 0.00 0.00 0.00 175.76 177.27 1yae s ILE 519 N 0.48 3.73 0.13 0.00 1.01 -0.68 -4.92 121.20 120.94 1yae s ILE 519 Ca 0.61 0.70 0.09 0.00 0.00 0.00 0.00 60.65 62.04 1yae s ILE 519 Cb -0.38 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1yae s ILE 519 CO 0.36 -0.79 -0.17 -0.89 0.00 0.00 0.00 174.94 173.45 1yae s THR 520 N 6.24 2.87 0.10 2.92 2.01 -1.26 -4.69 115.64 123.83 1yae s THR 520 Ca 0.64 -1.57 -0.29 0.00 0.31 0.00 0.00 61.69 60.78 1yae s THR 520 Cb -0.15 -2.34 -0.11 0.00 0.01 0.00 0.00 72.50 69.92 1yae s THR 520 CO 0.30 0.05 1.62 0.22 -0.69 0.00 0.00 174.62 176.12 1yae h TYR 521 N 3.56 -0.86 -0.40 4.92 3.20 -1.99 0.86 116.97 126.26 1yae h TYR 521 Ca -0.49 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.47 1yae h TYR 521 Cb 1.18 0.35 -0.08 0.00 1.54 0.00 0.00 36.73 39.71 1yae h TYR 521 CO 0.62 -0.44 -0.13 0.28 -1.64 0.00 0.00 178.16 176.85 1yae h VAL 522 N -0.61 0.54 -0.67 1.81 2.07 -2.00 -2.02 116.25 115.37 1yae h VAL 522 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1yae h VAL 522 Cb 0.59 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1yae h VAL 522 CO -0.12 0.00 0.21 0.03 0.02 0.00 0.00 177.57 177.71 1yae h ARG 523 N -0.04 1.02 0.00 1.57 3.08 -1.89 -2.65 114.38 115.47 1yae h ARG 523 Ca 0.20 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1yae h ARG 523 Cb 0.34 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1yae h ARG 523 CO -0.44 0.87 -0.11 1.49 -1.07 0.00 0.00 179.97 180.72 1yae h GLU 524 N 0.99 0.00 0.00 0.04 4.57 -0.11 -1.76 114.58 118.31 1yae h GLU 524 Ca 0.22 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1yae h GLU 524 Cb 0.28 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1yae h GLU 524 CO -0.01 0.11 -0.11 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 -1.07 -3.24 116.57 115.75 1yae h LYS 525 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yae h LYS 525 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1yae h LYS 525 CO 0.01 0.11 -0.74 1.33 -0.57 0.00 0.00 179.45 179.59 1yae n VAL 526 N -3.39 0.00 -4.16 0.50 0.24 -0.95 -5.05 118.33 105.51 1yae n VAL 526 Ca -0.01 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 1yae n VAL 526 Cb 0.28 0.65 -0.11 0.00 -1.47 0.00 0.00 33.84 33.19 1yae n VAL 526 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1yae s ILE 527 N -1.81 0.96 0.02 1.34 1.09 -0.70 -4.30 121.20 117.80 1yae s ILE 527 Ca -0.00 -1.47 -0.09 0.00 -1.10 0.00 0.00 60.65 57.99 1yae s ILE 527 Cb 0.01 -1.18 -0.05 0.00 -1.06 0.00 0.00 42.46 40.18 1yae s ILE 527 CO 0.09 -0.43 0.32 -1.81 -0.10 0.00 0.00 174.94 173.02 1yae s ASP 528 N -2.12 6.59 0.07 3.58 1.01 -0.28 -4.33 116.67 121.20 1yae s ASP 528 Ca 0.01 0.70 0.09 0.00 0.71 0.00 0.00 52.55 54.06 1yae s ASP 528 Cb -0.06 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 1yae s ASP 528 CO 0.01 0.26 -0.22 -0.36 0.21 0.00 0.00 175.17 175.07 1yae s PHE 529 N -1.26 2.44 1.09 4.23 0.08 -1.26 -1.15 117.98 122.15 1yae s PHE 529 Ca 0.27 -0.32 -0.16 0.00 0.12 0.00 0.00 56.93 56.84 1yae s PHE 529 Cb -0.14 -1.39 0.23 0.00 -0.57 0.00 0.00 43.02 41.16 1yae s PHE 529 CO 0.15 0.25 1.11 -1.54 -0.10 0.00 0.00 175.22 175.09 1yae s SER 530 N -1.61 1.88 0.58 1.36 1.04 -0.19 -4.97 113.70 111.78 1yae s SER 530 Ca 0.14 0.89 -0.16 0.00 0.48 0.00 0.00 55.95 57.30 1yae s SER 530 Cb -0.10 -1.35 -0.04 0.00 0.10 0.00 0.00 66.02 64.62 1yae s SER 530 CO 0.05 -3.56 1.05 -0.54 0.98 0.00 0.00 173.24 171.23 1yae s LYS 531 N -5.20 3.41 0.40 4.02 1.02 -1.26 -4.55 119.74 117.59 1yae s LYS 531 Ca 0.68 1.21 -0.27 0.00 0.02 0.00 0.00 55.97 57.61 1yae s LYS 531 Cb -0.14 -2.05 -0.10 0.00 -0.52 0.00 0.00 37.83 35.02 1yae s LYS 531 CO 0.57 -0.74 1.37 -2.30 -0.92 0.00 0.00 175.35 173.33 1yae n PRO 532 N -1.88 2.25 0.00 -1.68 -0.02 -1.26 -4.57 135.00 127.85 1yae n PRO 532 Ca 0.09 0.80 0.11 0.00 -2.02 0.00 0.00 63.50 62.47 1yae n PRO 532 Cb 0.53 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.07 0.02 -3.77 6.00 1.16 -0.15 -4.91 117.46 115.89 1yae n PHE 533 Ca 0.04 0.01 -0.13 0.00 -1.87 0.00 0.00 57.45 55.50 1yae n PHE 533 Cb 0.39 -0.12 -0.12 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 -3.04 0.31 0.04 3.97 -1.94 -1.22 -5.02 119.30 112.40 1yae s MET 534 Ca 0.08 0.41 0.05 0.00 -1.71 0.00 0.00 55.69 54.51 1yae s MET 534 Cb 0.16 0.12 -0.04 0.00 2.01 0.00 0.00 34.83 37.08 1yae s MET 534 CO 0.82 -0.06 -0.08 0.95 -0.01 0.00 0.00 175.02 176.64 1yae s THR 535 N 0.31 3.52 0.00 2.05 -4.23 -1.26 -0.69 115.64 115.34 1yae s THR 535 Ca -0.01 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1yae s THR 535 Cb -0.03 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1yae s THR 535 CO -0.01 0.30 0.00 0.00 -0.54 0.00 0.00 174.62 174.37 1yae n LEU 536 N 1.28 0.00 -3.67 4.79 -0.00 -0.52 -4.92 117.00 113.97 1yae n LEU 536 Ca -0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.84 1yae n LEU 536 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.93 1yae n LEU 536 CO 0.32 0.00 0.83 -0.83 -0.00 0.00 0.00 177.39 177.71 1yae s GLY 537 N -0.50 -0.32 0.37 1.47 0.00 -1.26 -1.02 107.32 106.06 1yae s GLY 537 Ca 0.00 0.53 -0.27 0.00 0.00 0.00 0.00 44.72 44.98 1yae s GLY 537 CO 0.00 0.13 1.33 -0.42 0.00 0.00 0.00 173.10 174.14 1yae s ILE 538 N -2.95 2.57 0.15 0.90 -1.09 -1.26 -0.21 121.20 119.31 1yae s ILE 538 Ca 0.11 0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 59.08 1yae s ILE 538 Cb 0.00 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 1yae s ILE 538 CO -0.02 0.11 0.21 -0.24 -1.23 0.00 0.00 174.94 173.77 1yae n SER 539 N 0.43 -0.57 -4.51 3.58 2.88 -0.10 0.14 113.62 115.48 1yae n SER 539 Ca 0.02 -1.82 -0.34 0.00 -1.33 0.00 0.00 58.87 55.41 1yae n SER 539 Cb 0.42 1.07 -0.12 0.00 -0.75 0.00 0.00 64.21 64.84 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 -2.59 3.63 -0.19 2.46 -1.09 -1.24 -1.76 121.20 120.42 1yae s ILE 540 Ca 0.13 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1yae s ILE 540 Cb -0.00 -2.53 -0.00 0.00 -1.58 0.00 0.00 42.46 38.35 1yae s ILE 540 CO 0.09 0.55 -0.11 -0.22 -1.23 0.00 0.00 174.94 174.02 1yae s LEU 541 N -0.18 2.61 -0.10 2.97 1.98 -0.07 -1.28 118.68 124.61 1yae s LEU 541 Ca 0.02 -0.46 -0.20 0.00 -2.89 0.00 0.00 54.13 50.60 1yae s LEU 541 Cb -0.13 -1.63 0.05 0.00 0.66 0.00 0.00 46.19 45.14 1yae s LEU 541 CO 0.03 0.03 0.48 -0.47 -1.89 0.00 0.00 176.35 174.52 1yae s TYR 542 N 1.16 -0.45 0.50 5.38 5.04 -0.35 -1.35 117.35 127.28 1yae s TYR 542 Ca 0.01 0.94 -0.20 0.00 -2.44 0.00 0.00 57.07 55.38 1yae s TYR 542 Cb -0.14 0.21 -0.10 0.00 0.35 0.00 0.00 41.96 42.28 1yae s TYR 542 CO -0.04 -0.38 0.65 -2.13 -1.34 0.00 0.00 175.55 172.31 1yae n ARG 543 N 1.88 0.70 -1.93 4.97 0.63 -1.26 -0.69 116.66 120.96 1yae n ARG 543 Ca -0.17 0.26 -0.42 0.00 -0.92 0.00 0.00 57.85 56.60 1yae n ARG 543 Cb 0.56 -1.74 -0.02 0.00 0.45 0.00 0.00 32.46 31.71 1yae n ARG 543 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1yae s LYS 544 N -1.97 4.22 0.66 -0.14 1.02 0.94 -4.64 119.74 119.83 1yae s LYS 544 Ca 0.67 2.39 0.37 0.00 0.02 0.00 0.00 55.97 59.41 1yae s LYS 544 Cb -0.51 -3.10 2.00 0.00 -0.52 0.00 0.00 37.83 35.70 1yae s LYS 544 CO 0.55 -0.52 2.14 -1.35 -0.92 0.00 0.00 175.35 175.25 1yae h PRO 545 N 5.49 0.00 0.00 -1.68 0.11 -1.89 -3.49 132.00 130.54 1yae h PRO 545 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1yae h PRO 545 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1yae h PRO 545 CO 0.82 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.70 1yae n ASN 546 N -3.05 0.00 -1.71 -2.05 3.02 -1.26 -5.28 115.26 104.93 1yae n ASN 546 Ca -0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.52 1yae n ASN 546 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1yae n ASN 546 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yae n ILE 668 N 0.00 -3.49 -0.07 2.41 0.13 -1.26 -5.07 119.36 112.01 1yae n ILE 668 Ca 0.00 0.18 0.00 0.00 -1.10 0.00 0.00 62.75 61.83 1yae n ILE 668 Cb 0.00 -4.52 0.00 0.00 -0.84 0.00 0.00 39.64 34.28 1yae n ILE 668 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1yae n ASP 669 N -0.34 0.00 -4.77 9.51 2.03 -1.26 -5.01 116.55 116.71 1yae n ASP 669 Ca 0.01 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.08 1yae n ASP 669 Cb 0.06 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.39 1yae n ASP 669 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1yae s SER 670 N 0.00 4.50 0.29 1.67 0.15 -1.26 -2.99 113.70 116.05 1yae s SER 670 Ca 0.00 -1.08 0.14 0.00 0.70 0.00 0.00 55.95 55.71 1yae s SER 670 Cb 0.00 -0.37 0.33 0.00 -1.71 0.00 0.00 66.02 64.27 1yae s SER 670 CO 0.00 -0.62 1.57 0.00 1.20 0.00 0.00 173.24 175.39 1yae h ALA 671 N 1.32 0.81 -0.37 5.45 0.00 -1.97 -3.12 119.26 121.38 1yae h ALA 671 Ca -0.42 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 1yae h ALA 671 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1yae h ALA 671 CO 0.68 0.70 0.06 -0.44 0.00 0.00 0.00 179.25 180.25 1yae h ASP 672 N 0.00 0.60 -0.77 0.00 3.32 -1.95 -3.09 116.42 114.53 1yae h ASP 672 Ca -0.01 -0.26 0.18 0.00 0.02 0.00 0.00 57.03 56.96 1yae h ASP 672 Cb 1.19 -0.16 -0.13 0.00 0.22 0.00 0.00 39.33 40.45 1yae h ASP 672 CO 0.07 0.71 0.04 0.44 -1.72 0.00 0.00 179.24 178.78 1yae h ASP 673 N 0.46 -0.28 0.09 6.45 5.19 -1.94 0.99 116.42 127.38 1yae h ASP 673 Ca 0.11 0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1yae h ASP 673 Cb 0.37 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1yae h ASP 673 CO 0.01 -0.17 -0.05 -0.07 -3.12 0.00 0.00 179.24 175.84 1yae h LEU 674 N 0.13 -0.11 -2.06 1.55 3.38 -1.59 -2.91 115.31 113.70 1yae h LEU 674 Ca 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 1yae h LEU 674 Cb 0.77 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1yae h LEU 674 CO -0.66 -0.08 -0.06 0.00 0.09 0.00 0.00 178.44 177.73 1yae h ALA 675 N 0.78 1.14 -0.01 1.53 0.00 -0.83 -2.65 119.26 119.23 1yae h ALA 675 Ca -0.01 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 1yae h ALA 675 Cb 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1yae h ALA 675 CO 0.02 0.08 -1.01 0.87 0.00 0.00 0.00 179.25 179.21 1yae h LYS 676 N 0.00 0.65 0.00 0.00 1.79 -0.75 -3.47 116.57 114.79 1yae h LYS 676 Ca -0.00 -0.69 -0.11 0.00 -2.18 0.00 0.00 60.65 57.67 1yae h LYS 676 Cb 0.30 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1yae h LYS 676 CO 0.01 1.28 -0.03 0.00 -1.08 0.00 0.00 179.45 179.62 1yae n GLN 677 N -3.84 1.09 0.00 3.15 -0.00 -1.00 -5.08 117.38 111.70 1yae n GLN 677 Ca -0.10 -0.71 0.00 0.00 -0.00 0.00 0.00 57.00 56.19 1yae n GLN 677 Cb 0.86 0.01 0.00 0.00 -0.00 0.00 0.00 30.24 31.11 1yae n GLN 677 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1yae n THR 678 N -1.06 0.00 0.20 -0.39 5.66 -1.26 -4.92 114.28 112.50 1yae n THR 678 Ca 0.02 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.11 1yae n THR 678 Cb 0.13 0.00 0.26 0.00 -1.55 0.00 0.00 70.33 69.18 1yae n THR 678 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1yae h LYS 679 N 0.00 0.00 -4.74 1.09 1.57 -1.98 -3.39 116.57 109.13 1yae h LYS 679 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 1yae h LYS 679 Cb 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.11 1yae h LYS 679 CO 0.00 0.22 -0.51 0.42 -0.57 0.00 0.00 179.45 179.01 1yae s ILE 680 N -3.30 5.04 0.57 1.86 1.01 -1.26 -5.04 121.20 120.08 1yae s ILE 680 Ca 0.04 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.23 1yae s ILE 680 Cb 0.08 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1yae s ILE 680 CO 0.67 0.02 1.06 -1.61 0.00 0.00 0.00 174.94 175.08 1yae s GLU 681 N 1.68 3.40 0.02 2.79 2.02 -1.08 -4.85 118.70 122.68 1yae s GLU 681 Ca 0.06 1.29 -0.10 0.00 0.02 0.00 0.00 54.97 56.23 1yae s GLU 681 Cb -0.17 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.03 1yae s GLU 681 CO 0.09 -0.75 0.21 1.52 0.02 0.00 0.00 175.26 176.34 1yae s TYR 682 N -2.27 -0.01 0.14 1.61 -0.85 -1.26 -0.68 117.35 114.03 1yae s TYR 682 Ca 0.65 -0.10 -0.11 0.00 -0.52 0.00 0.00 57.07 56.99 1yae s TYR 682 Cb -0.17 -0.00 0.04 0.00 0.38 0.00 0.00 41.96 42.21 1yae s TYR 682 CO 0.32 -0.38 0.56 0.41 -1.52 0.00 0.00 175.55 174.95 1yae n GLY 683 N 1.07 1.03 3.25 5.49 0.00 -1.04 -4.82 105.19 110.17 1yae n GLY 683 Ca -0.21 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.61 1.53 -0.01 4.61 0.00 -1.26 -0.30 121.76 124.72 1yae s ALA 684 Ca 0.12 -1.90 -0.30 0.00 0.00 0.00 0.00 51.96 49.88 1yae s ALA 684 Cb -0.02 1.44 -0.04 0.00 0.00 0.00 0.00 23.12 24.50 1yae s ALA 684 CO 0.04 -0.63 1.14 0.54 0.00 0.00 0.00 175.76 176.85 1yae s VAL 685 N -3.77 4.36 0.25 0.00 0.11 -1.26 -1.52 120.40 118.58 1yae s VAL 685 Ca 0.40 1.68 -0.31 0.00 -2.93 0.00 0.00 61.98 60.82 1yae s VAL 685 Cb 0.04 -4.08 -0.12 0.00 -1.53 0.00 0.00 36.38 30.70 1yae s VAL 685 CO 0.20 0.07 1.66 -1.61 -3.33 0.00 0.00 175.10 172.09 1yae s GLU 686 N 1.60 4.12 -1.89 1.54 2.02 -0.11 -2.34 118.70 123.63 1yae s GLU 686 Ca 0.55 2.60 0.00 0.00 0.02 0.00 0.00 54.97 58.14 1yae s GLU 686 Cb -0.25 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1yae s GLU 686 CO 0.25 -0.69 0.00 -0.25 0.02 0.00 0.00 175.26 174.58 1yae n ASP 687 N 3.03 -5.52 -4.81 -0.19 8.00 -1.26 -5.00 116.55 110.80 1yae n ASP 687 Ca 0.12 0.44 -0.23 0.00 0.71 0.00 0.00 54.79 55.83 1yae n ASP 687 Cb 0.36 -4.59 0.08 0.00 -0.02 0.00 0.00 41.12 36.95 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 -2.68 1.78 0.36 0.44 0.00 -0.99 -4.78 107.32 101.44 1yae s GLY 688 Ca 0.00 -1.49 0.05 0.00 0.00 0.00 0.00 44.72 43.28 1yae s GLY 688 CO 0.00 -1.04 1.95 0.00 0.00 0.00 0.00 173.10 174.01 1yae h ALA 689 N -0.32 1.68 0.00 3.20 0.00 -1.94 0.14 119.26 122.01 1yae h ALA 689 Ca -0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1yae h ALA 689 Cb 1.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1yae h ALA 689 CO 0.47 0.20 -0.00 1.15 0.00 0.00 0.00 179.25 181.07 1yae h THR 690 N 0.78 1.07 0.04 0.00 2.02 -1.94 -1.21 112.91 113.68 1yae h THR 690 Ca 0.32 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1yae h THR 690 Cb 0.25 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1yae h THR 690 CO -0.11 0.05 -0.02 -0.03 0.37 0.00 0.00 175.52 175.78 1yae h MET 691 N -0.08 -0.05 -1.06 6.66 -1.53 -1.64 -2.92 114.93 114.31 1yae h MET 691 Ca -0.00 0.00 0.39 0.00 -3.44 0.00 0.00 59.70 56.66 1yae h MET 691 Cb 0.08 0.01 -0.16 0.00 -0.55 0.00 0.00 31.60 30.98 1yae h MET 691 CO 0.00 0.19 0.60 1.15 0.14 0.00 0.00 176.91 179.00 1yae h THR 692 N -0.29 0.11 -0.13 -0.77 2.02 -0.92 0.03 112.91 112.96 1yae h THR 692 Ca -0.01 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1yae h THR 692 Cb 0.27 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1yae h THR 692 CO 0.01 0.02 0.08 0.15 0.37 0.00 0.00 175.52 176.15 1yae h PHE 693 N 0.11 0.15 -0.12 3.16 3.57 -1.01 -2.47 116.94 120.32 1yae h PHE 693 Ca 0.81 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 62.21 1yae h PHE 693 Cb 2.14 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.82 1yae h PHE 693 CO -0.01 0.09 -0.40 0.74 -2.23 0.00 0.00 178.31 176.50 1yae h PHE 694 N 0.16 0.30 -0.62 0.41 0.04 -1.07 -0.49 116.94 115.67 1yae h PHE 694 Ca 0.05 -0.08 0.08 0.00 2.80 0.00 0.00 57.97 60.82 1yae h PHE 694 Cb -0.01 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.01 1yae h PHE 694 CO -0.08 0.62 0.29 -0.22 -0.60 0.00 0.00 178.31 178.32 1yae h LYS 695 N 0.22 0.50 0.01 1.51 1.63 -1.09 -3.26 116.57 116.09 1yae h LYS 695 Ca 0.02 -0.03 -0.32 0.00 -0.85 0.00 0.00 60.65 59.48 1yae h LYS 695 Cb 0.80 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.27 1yae h LYS 695 CO 0.06 0.33 -1.88 1.63 -3.45 0.00 0.00 179.45 176.14 1yae n LYS 696 N -4.91 0.65 -1.67 1.90 4.76 -0.95 -4.96 118.16 112.98 1yae n LYS 696 Ca 0.08 0.23 -0.46 0.00 -2.87 0.00 0.00 58.31 55.30 1yae n LYS 696 Cb 0.24 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 31.66 1yae n LYS 696 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1yae n SER 697 N -3.02 2.88 -1.00 4.39 2.88 -0.22 -4.91 113.62 114.62 1yae n SER 697 Ca -0.22 1.11 -0.02 0.00 -1.33 0.00 0.00 58.87 58.41 1yae n SER 697 Cb 1.07 -1.42 0.17 0.00 -0.75 0.00 0.00 64.21 63.28 1yae n SER 697 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1yae n LYS 698 N 2.70 2.03 -2.86 -1.46 2.85 -1.26 -4.34 118.16 115.81 1yae n LYS 698 Ca 0.14 -3.45 -0.40 0.00 -1.05 0.00 0.00 58.31 53.56 1yae n LYS 698 Cb 0.30 -1.79 -0.06 0.00 -0.65 0.00 0.00 35.03 32.83 1yae n LYS 698 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1yae s ILE 699 N -3.52 4.25 0.17 0.58 -1.09 -1.26 -4.97 121.20 115.35 1yae s ILE 699 Ca 0.42 1.90 -0.19 0.00 -2.23 0.00 0.00 60.65 60.55 1yae s ILE 699 Cb 0.39 -4.24 0.09 0.00 -1.58 0.00 0.00 42.46 37.12 1yae s ILE 699 CO -0.04 0.50 1.64 0.77 -1.23 0.00 0.00 174.94 176.58 1yae h SER 700 N 4.35 -0.66 -0.57 3.58 4.64 -1.98 -0.85 113.55 122.06 1yae h SER 700 Ca -0.46 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1yae h SER 700 Cb 1.20 0.35 -0.03 0.00 -0.31 0.00 0.00 62.40 63.62 1yae h SER 700 CO 0.67 -0.23 0.33 0.74 -0.87 0.00 0.00 176.83 177.48 1yae h THR 701 N -0.13 1.18 0.00 2.95 2.02 -1.99 0.21 112.91 117.15 1yae h THR 701 Ca 0.19 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1yae h THR 701 Cb 0.42 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1yae h THR 701 CO -0.46 0.19 -0.41 1.88 0.37 0.00 0.00 175.52 177.09 1yae h TYR 702 N 0.77 0.00 0.11 3.16 0.05 -1.87 -2.47 116.97 116.71 1yae h TYR 702 Ca 0.20 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.69 1yae h TYR 702 Cb 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1yae h TYR 702 CO -0.02 0.00 -1.46 0.22 -1.05 0.00 0.00 178.16 175.85 1yae h ASP 703 N 0.00 0.37 -0.38 3.88 3.58 -0.89 -2.93 116.42 120.05 1yae h ASP 703 Ca 0.00 -0.48 0.02 0.00 0.42 0.00 0.00 57.03 56.99 1yae h ASP 703 Cb 0.76 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 1yae h ASP 703 CO 0.00 1.40 0.22 0.50 -2.88 0.00 0.00 179.24 178.47 1yae h LYS 704 N 0.06 0.42 -0.43 0.28 1.63 -0.92 -2.69 116.57 114.93 1yae h LYS 704 Ca -0.21 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.48 1yae h LYS 704 Cb 2.00 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 33.51 1yae h LYS 704 CO 0.17 0.28 -0.07 0.52 -3.45 0.00 0.00 179.45 176.89 1yae h MET 705 N 0.44 0.74 -0.49 1.90 2.86 -1.51 -2.61 114.93 116.25 1yae h MET 705 Ca 0.16 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1yae h MET 705 Cb 0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1yae h MET 705 CO -0.08 0.80 0.17 2.35 1.06 0.00 0.00 176.91 181.21 1yae h TRP 706 N 0.68 0.77 -0.44 -0.22 2.91 -1.46 -1.91 115.95 116.27 1yae h TRP 706 Ca 0.12 -0.07 0.08 0.00 1.13 0.00 0.00 58.89 60.15 1yae h TRP 706 Cb 0.52 -0.23 -0.06 0.00 -0.51 0.00 0.00 29.16 28.88 1yae h TRP 706 CO 0.03 0.66 0.06 0.00 -1.03 0.00 0.00 178.44 178.16 1yae h ALA 707 N 1.02 0.46 0.28 2.65 0.00 -1.16 0.16 119.26 122.67 1yae h ALA 707 Ca 0.16 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1yae h ALA 707 Cb 0.24 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1yae h ALA 707 CO -0.01 -0.34 -0.45 0.35 0.00 0.00 0.00 179.25 178.80 1yae h PHE 708 N 0.18 -1.25 0.00 0.00 3.57 -1.11 -1.74 116.94 116.59 1yae h PHE 708 Ca 0.22 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.62 1yae h PHE 708 Cb 0.29 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1yae h PHE 708 CO -0.24 -0.57 -0.56 0.00 -2.23 0.00 0.00 178.31 174.71 1yae h MET 709 N -0.79 0.00 -0.09 1.11 -0.00 -1.19 -2.70 114.93 111.26 1yae h MET 709 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1yae h MET 709 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.34 1yae h MET 709 CO -0.16 0.56 0.05 1.03 -0.00 0.00 0.00 176.91 178.39 1yae h SER 710 N 0.00 0.11 0.19 -0.10 0.87 -0.57 -1.01 113.55 113.04 1yae h SER 710 Ca -0.01 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1yae h SER 710 Cb 1.01 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1yae h SER 710 CO 0.07 0.15 -0.10 0.77 -0.53 0.00 0.00 176.83 177.20 1yae h SER 711 N 0.06 0.00 -0.76 6.23 4.64 -1.21 -2.87 113.55 119.65 1yae h SER 711 Ca 0.03 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.81 1yae h SER 711 Cb 0.06 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 61.79 1yae h SER 711 CO -0.01 0.10 -0.37 0.54 -0.87 0.00 0.00 176.83 176.22 1yae n ARG 712 N -3.97 3.23 -0.30 4.77 1.74 -0.96 -4.90 116.66 116.28 1yae n ARG 712 Ca -0.02 -3.88 0.02 0.00 -0.77 0.00 0.00 57.85 53.20 1yae n ARG 712 Cb 0.19 -2.23 0.16 0.00 -1.02 0.00 0.00 32.46 29.56 1yae n ARG 712 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1yae h ARG 713 N 2.03 0.84 0.00 5.56 0.11 -0.96 -1.98 114.38 119.97 1yae h ARG 713 Ca 0.41 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.43 1yae h ARG 713 Cb 1.37 -0.19 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 1yae h ARG 713 CO 0.91 0.56 -0.04 0.37 0.10 0.00 0.00 179.97 181.86 1yae h GLN 714 N 0.87 0.00 0.00 0.08 4.15 -1.88 -2.65 115.11 115.67 1yae h GLN 714 Ca 0.39 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.70 1yae h GLN 714 Cb 0.30 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1yae h GLN 714 CO -0.22 0.04 -1.90 -1.13 -1.93 0.00 0.00 178.83 173.69 1yae n SER 715 N -3.11 0.22 -0.04 -0.69 3.41 -1.02 -4.70 113.62 107.69 1yae n SER 715 Ca 0.04 0.09 -0.05 0.00 -0.26 0.00 0.00 58.87 58.69 1yae n SER 715 Cb 0.53 1.32 -0.06 0.00 -0.26 0.00 0.00 64.21 65.75 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 -2.52 0.55 -2.89 -3.33 0.31 -0.78 -4.96 118.33 104.71 1yae n VAL 716 Ca -0.11 -0.31 -0.40 0.00 -0.01 0.00 0.00 64.34 63.50 1yae n VAL 716 Cb 0.75 -0.80 -0.05 0.00 -0.91 0.00 0.00 33.84 32.83 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 -4.79 4.47 0.38 7.52 1.43 -1.00 -4.18 118.68 122.52 1yae s LEU 717 Ca -0.06 1.58 0.08 0.00 -1.03 0.00 0.00 54.13 54.70 1yae s LEU 717 Cb 0.03 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 1yae s LEU 717 CO 0.30 -0.00 0.31 0.54 0.23 0.00 0.00 176.35 177.73 1yae s VAL 718 N -0.09 2.96 -0.28 -1.59 0.11 -0.57 -4.85 120.40 116.09 1yae s VAL 718 Ca 0.41 -1.41 0.21 0.00 -2.93 0.00 0.00 61.98 58.27 1yae s VAL 718 Cb -0.22 -3.06 -0.31 0.00 -1.53 0.00 0.00 36.38 31.27 1yae s VAL 718 CO 0.26 -0.08 0.58 0.29 -3.33 0.00 0.00 175.10 172.82 1yae n LYS 719 N -1.43 0.51 -3.71 1.54 5.02 -1.26 -0.94 118.16 117.88 1yae n LYS 719 Ca 0.01 -0.15 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 1yae n LYS 719 Cb 0.61 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 1yae n LYS 719 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1yae s SER 720 N -4.09 -0.36 0.17 4.39 1.04 -1.26 -4.81 113.70 108.78 1yae s SER 720 Ca -0.04 -0.40 -0.14 0.00 0.48 0.00 0.00 55.95 55.85 1yae s SER 720 Cb 0.14 0.68 0.08 0.00 0.10 0.00 0.00 66.02 67.02 1yae s SER 720 CO 0.89 -1.20 1.81 0.78 0.98 0.00 0.00 173.24 176.49 1yae h ASN 721 N 2.00 0.46 -0.66 7.02 2.35 -1.99 -1.63 115.58 123.13 1yae h ASN 721 Ca -0.24 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.56 1yae h ASN 721 Cb 1.27 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.50 1yae h ASN 721 CO 0.28 0.33 0.39 -0.33 -1.65 0.00 0.00 177.43 176.45 1yae h GLU 722 N 0.57 0.73 -0.65 0.81 3.07 -1.99 0.53 114.58 117.66 1yae h GLU 722 Ca 0.20 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.03 1yae h GLU 722 Cb 0.02 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 27.73 1yae h GLU 722 CO -0.09 0.49 0.41 1.49 -1.40 0.00 0.00 179.01 179.91 1yae h GLU 723 N 0.76 0.80 0.09 2.33 4.81 -1.87 -1.36 114.58 120.13 1yae h GLU 723 Ca 0.28 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1yae h GLU 723 Cb 0.08 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1yae h GLU 723 CO -0.13 0.53 -0.04 0.78 -0.73 0.00 0.00 179.01 179.41 1yae h GLY 724 N 0.82 -0.12 0.20 1.92 0.00 -0.34 -1.36 103.07 104.19 1yae h GLY 724 Ca 0.25 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.68 1yae h GLY 724 CO -0.08 -0.05 -0.25 -2.22 0.00 0.00 0.00 176.54 173.94 1yae h ILE 725 N -0.29 0.39 -0.91 2.60 2.04 -0.78 -0.99 117.51 119.58 1yae h ILE 725 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 1yae h ILE 725 Cb 0.24 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 1yae h ILE 725 CO 0.02 0.00 0.55 -0.61 0.00 0.00 0.00 178.15 178.11 1yae h GLN 726 N -0.28 0.91 0.00 2.37 5.75 -1.24 -1.55 115.11 121.07 1yae h GLN 726 Ca 0.12 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1yae h GLN 726 Cb 0.47 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 1yae h GLN 726 CO -0.35 0.60 -0.07 -0.09 -2.65 0.00 0.00 178.83 176.27 1yae h ARG 727 N 0.94 0.00 0.08 1.69 9.65 -0.16 0.10 114.38 126.68 1yae h ARG 727 Ca 0.43 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 59.18 1yae h ARG 727 Cb 0.34 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1yae h ARG 727 CO -0.23 0.07 -0.53 0.28 2.80 0.00 0.00 179.97 182.36 1yae h VAL 728 N 0.00 1.58 0.00 0.20 2.07 -0.27 -2.59 116.25 117.24 1yae h VAL 728 Ca -0.00 -2.38 -0.07 0.00 0.82 0.00 0.00 66.70 65.07 1yae h VAL 728 Cb 0.58 3.14 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1yae h VAL 728 CO 0.01 0.66 -0.34 -0.07 0.02 0.00 0.00 177.57 177.85 1yae h LEU 729 N -0.51 0.00 0.08 2.57 3.38 -1.10 -3.33 115.31 116.40 1yae h LEU 729 Ca -0.09 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.52 1yae h LEU 729 Cb 1.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 1yae h LEU 729 CO 0.10 0.34 -2.08 1.07 0.09 0.00 0.00 178.44 177.96 1yae n THR 730 N -3.99 1.69 -2.67 0.22 5.66 -0.00 -5.01 114.28 110.19 1yae n THR 730 Ca -0.02 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1yae n THR 730 Cb 0.40 -1.68 0.00 0.00 -1.55 0.00 0.00 70.33 67.49 1yae n THR 730 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1yae n SER 731 N -3.52 1.19 -4.14 1.09 3.41 -0.97 -5.07 113.62 105.62 1yae n SER 731 Ca -0.36 -0.07 -0.38 0.00 -0.26 0.00 0.00 58.87 57.80 1yae n SER 731 Cb 1.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.89 1yae n SER 731 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yae s ASP 732 N 0.11 5.85 -0.03 4.04 2.15 -1.26 -4.78 116.67 122.74 1yae s ASP 732 Ca 0.00 -3.29 -0.02 0.00 0.43 0.00 0.00 52.55 49.67 1yae s ASP 732 Cb 0.00 -1.93 0.02 0.00 -0.30 0.00 0.00 42.92 40.71 1yae s ASP 732 CO 0.00 -0.30 0.08 -0.47 -0.17 0.00 0.00 175.17 174.31 1yae s TYR 733 N -0.72 -0.06 -0.25 -5.34 5.04 -1.26 -2.62 117.35 112.14 1yae s TYR 733 Ca 0.23 0.25 -0.10 0.00 -2.44 0.00 0.00 57.07 55.00 1yae s TYR 733 Cb -0.13 -0.09 -0.05 0.00 0.35 0.00 0.00 41.96 42.05 1yae s TYR 733 CO -0.08 -0.09 0.15 0.00 -1.34 0.00 0.00 175.55 174.19 1yae s ALA 734 N 0.70 3.49 -0.25 3.97 0.00 0.15 -4.58 121.76 125.24 1yae s ALA 734 Ca -0.06 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 1yae s ALA 734 Cb -0.08 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 1yae s ALA 734 CO -0.03 -0.35 0.27 0.12 0.00 0.00 0.00 175.76 175.78 1yae s PHE 735 N 1.37 3.28 -0.70 0.00 5.36 -0.46 -2.49 117.98 124.34 1yae s PHE 735 Ca 0.07 0.32 -0.25 0.00 -0.96 0.00 0.00 56.93 56.11 1yae s PHE 735 Cb -0.15 -2.43 0.05 0.00 -0.34 0.00 0.00 43.02 40.15 1yae s PHE 735 CO 0.07 -0.09 1.14 -0.51 -1.46 0.00 0.00 175.22 174.36 1yae s LEU 736 N 1.59 3.70 0.16 6.12 1.43 0.58 -0.90 118.68 131.36 1yae s LEU 736 Ca 0.12 -0.69 0.06 0.00 -1.03 0.00 0.00 54.13 52.59 1yae s LEU 736 Cb -0.15 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1yae s LEU 736 CO 0.08 -1.67 -0.12 -0.32 0.23 0.00 0.00 176.35 174.55 1yae s MET 737 N 5.00 1.13 -0.03 1.70 1.75 -0.72 -4.49 119.30 123.64 1yae s MET 737 Ca 0.29 -1.44 -0.30 0.00 -1.25 0.00 0.00 55.69 53.00 1yae s MET 737 Cb -0.12 -0.84 -0.05 0.00 2.84 0.00 0.00 34.83 36.66 1yae s MET 737 CO 0.13 0.13 1.44 -1.21 -0.65 0.00 0.00 175.02 174.87 1yae s GLU 738 N -3.43 4.25 0.32 4.11 2.02 -1.26 -0.92 118.70 123.79 1yae s GLU 738 Ca 0.16 1.99 0.06 0.00 0.02 0.00 0.00 54.97 57.20 1yae s GLU 738 Cb -0.00 -3.68 0.88 0.00 0.10 0.00 0.00 34.13 31.43 1yae s GLU 738 CO 0.03 -0.65 1.57 0.66 0.02 0.00 0.00 175.26 176.89 1yae h SER 739 N 8.23 -0.30 -0.59 -0.19 4.64 -0.89 0.26 113.55 124.72 1yae h SER 739 Ca -0.37 0.27 0.12 0.00 -0.47 0.00 0.00 61.79 61.35 1yae h SER 739 Cb 1.17 0.44 -0.10 0.00 -0.31 0.00 0.00 62.40 63.60 1yae h SER 739 CO 0.92 -0.37 -0.02 0.00 -0.87 0.00 0.00 176.83 176.50 1yae h THR 740 N 0.01 0.51 0.00 2.95 1.03 -1.91 0.20 112.91 115.71 1yae h THR 740 Ca 0.65 -0.04 -0.17 0.00 -0.01 0.00 0.00 66.41 66.84 1yae h THR 740 Cb 1.45 0.40 -0.02 0.00 -1.07 0.00 0.00 68.15 68.90 1yae h THR 740 CO -0.89 0.02 -0.82 0.74 -0.01 0.00 0.00 175.52 174.56 1yae h THR 741 N 0.10 1.45 0.43 0.00 2.02 -0.90 -3.18 112.91 112.83 1yae h THR 741 Ca 0.30 -2.96 -0.02 0.00 0.77 0.00 0.00 66.41 64.50 1yae h THR 741 Cb 0.48 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1yae h THR 741 CO -0.51 0.81 -0.21 0.40 0.37 0.00 0.00 175.52 176.37 1yae h ILE 742 N 0.00 0.56 -1.18 3.11 2.04 -0.52 -2.51 117.51 119.00 1yae h ILE 742 Ca -0.01 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.19 1yae h ILE 742 Cb 1.60 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 1yae h ILE 742 CO 0.11 0.00 0.84 -0.08 0.00 0.00 0.00 178.15 179.01 1yae h GLU 743 N -0.59 0.06 0.06 2.37 4.81 -1.02 0.19 114.58 120.45 1yae h GLU 743 Ca -0.06 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1yae h GLU 743 Cb 0.46 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1yae h GLU 743 CO 0.09 0.04 -0.03 0.35 -0.73 0.00 0.00 179.01 178.73 1yae h PHE 744 N 0.06 -0.07 0.00 0.92 3.57 -1.45 -3.29 116.94 116.68 1yae h PHE 744 Ca 0.58 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.98 1yae h PHE 744 Cb 2.19 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.93 1yae h PHE 744 CO -0.00 0.54 -0.49 -0.24 -2.23 0.00 0.00 178.31 175.89 1yae h VAL 745 N -0.82 1.11 -0.79 1.41 3.04 -0.85 -3.14 116.25 116.21 1yae h VAL 745 Ca -0.01 -1.84 -0.03 0.00 -1.01 0.00 0.00 66.70 63.81 1yae h VAL 745 Cb 0.64 2.07 -0.04 0.00 -2.01 0.00 0.00 31.29 31.95 1yae h VAL 745 CO 0.01 0.48 0.38 0.74 -1.01 0.00 0.00 177.57 178.17 1yae h THR 746 N 0.00 1.25 -0.22 3.17 2.02 -0.80 -0.38 112.91 117.95 1yae h THR 746 Ca -0.00 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1yae h THR 746 Cb 1.03 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1yae h THR 746 CO 0.06 0.30 0.00 0.00 0.37 0.00 0.00 175.52 176.25 1yae n GLN 747 N -4.35 1.88 0.00 6.66 6.02 -1.19 -3.77 117.38 122.62 1yae n GLN 747 Ca 0.07 -0.95 0.00 0.00 -0.01 0.00 0.00 57.00 56.12 1yae n GLN 747 Cb 0.14 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.96 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 0.21 2.42 -4.06 -1.09 0.63 -0.90 -3.80 116.66 110.07 1yae n ARG 748 Ca 0.09 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.75 1yae n ARG 748 Cb 0.36 -0.81 -0.17 0.00 0.45 0.00 0.00 32.46 32.29 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 -1.95 2.11 0.00 6.15 2.47 -0.20 -5.04 114.94 118.48 1yae s ASN 749 Ca 0.00 -0.31 0.29 0.00 0.42 0.00 0.00 52.86 53.26 1yae s ASN 749 Cb 0.00 -0.86 1.31 0.00 -1.45 0.00 0.00 41.25 40.25 1yae s ASN 749 CO 0.00 -0.08 1.89 0.00 -3.72 0.00 0.00 177.10 175.19 1yae n ASN 751 N -0.27 2.99 -4.66 0.00 0.23 -1.26 -4.90 115.26 107.40 1yae n ASN 751 Ca 0.20 -1.88 -0.35 0.00 -0.53 0.00 0.00 54.58 52.02 1yae n ASN 751 Cb 0.28 -0.21 -0.10 0.00 -2.08 0.00 0.00 39.78 37.67 1yae n ASN 751 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1yae s LEU 752 N -1.16 3.56 0.06 -4.53 1.43 -1.21 0.32 118.68 117.15 1yae s LEU 752 Ca 0.29 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1yae s LEU 752 Cb 0.16 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1yae s LEU 752 CO 0.23 0.34 -0.11 -0.89 0.23 0.00 0.00 176.35 176.14 1yae s THR 753 N -0.64 0.87 0.03 5.49 2.01 0.14 -4.75 115.64 118.78 1yae s THR 753 Ca 0.10 -1.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.61 1yae s THR 753 Cb -0.12 -0.94 -0.06 0.00 0.01 0.00 0.00 72.50 71.39 1yae s THR 753 CO 0.02 -0.34 0.65 -1.58 -0.69 0.00 0.00 174.62 172.68 1yae s GLN 754 N -1.86 4.36 -0.20 4.92 0.74 -1.26 -1.22 119.66 125.15 1yae s GLN 754 Ca -0.04 0.84 -0.03 0.00 0.05 0.00 0.00 55.36 56.18 1yae s GLN 754 Cb -0.09 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.68 1yae s GLN 754 CO 0.01 0.40 -0.05 0.42 -0.55 0.00 0.00 175.29 175.52 1yae s ILE 755 N -0.36 3.44 0.03 -2.34 1.01 -0.40 -4.98 121.20 117.60 1yae s ILE 755 Ca 0.33 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1yae s ILE 755 Cb -0.19 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1yae s ILE 755 CO 0.19 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.19 1yae n GLY 756 N 4.44 -2.02 0.00 6.18 0.00 -1.16 -3.65 105.19 108.98 1yae n GLY 756 Ca -0.18 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.77 1.69 3.75 -0.02 0.00 -1.26 -4.86 105.19 103.73 1yae n GLY 757 Ca 0.00 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 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 4.38 0.22 0.99 1.43 -1.26 -4.58 118.68 119.86 1yae s LEU 758 Ca 0.00 1.11 0.25 0.00 -1.03 0.00 0.00 54.13 54.46 1yae s LEU 758 Cb 0.00 -2.91 0.63 0.00 0.03 0.00 0.00 46.19 43.95 1yae s LEU 758 CO 0.00 0.06 1.64 0.40 0.23 0.00 0.00 176.35 178.68 1yae h ILE 759 N 4.30 0.00 -0.73 -0.59 1.08 0.95 -3.48 117.51 119.04 1yae h ILE 759 Ca -0.44 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 1yae h ILE 759 Cb 1.20 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 1yae h ILE 759 CO 0.71 0.00 0.00 -0.90 -0.69 0.00 0.00 178.15 177.27 1yae n ASP 760 N -2.35 0.00 -3.54 1.72 5.75 -1.26 -4.86 116.55 112.01 1yae n ASP 760 Ca 0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.55 1yae n ASP 760 Cb 0.45 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 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 2.00 2.70 0.46 -1.12 0.15 -1.26 -4.39 113.70 112.24 1yae s SER 761 Ca 0.00 -2.86 0.08 0.00 0.70 0.00 0.00 55.95 53.88 1yae s SER 761 Cb 0.00 -0.70 0.02 0.00 -1.71 0.00 0.00 66.02 63.63 1yae s SER 761 CO 0.00 -0.21 0.57 -0.54 1.20 0.00 0.00 173.24 174.26 1yae s LYS 762 N 0.18 2.63 -0.10 5.44 1.02 -0.19 -4.99 119.74 123.74 1yae s LYS 762 Ca 0.25 -1.43 -0.26 0.00 0.02 0.00 0.00 55.97 54.55 1yae s LYS 762 Cb -0.10 -2.62 0.06 0.00 -0.52 0.00 0.00 37.83 34.65 1yae s LYS 762 CO -0.10 -0.40 0.61 0.20 -0.92 0.00 0.00 175.35 174.74 1yae s GLY 763 N -4.37 -0.48 -0.07 -3.33 0.00 -1.26 -1.43 107.32 96.38 1yae s GLY 763 Ca 0.54 1.30 -0.20 0.00 0.00 0.00 0.00 44.72 46.36 1yae s GLY 763 CO 0.33 0.99 0.57 -0.19 0.00 0.00 0.00 173.10 174.80 1yae s TYR 764 N -0.78 3.59 0.06 1.90 2.02 0.13 -1.69 117.35 122.59 1yae s TYR 764 Ca -0.08 1.08 0.03 0.00 -0.37 0.00 0.00 57.07 57.73 1yae s TYR 764 Cb -0.02 -2.62 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 1yae s TYR 764 CO 0.06 0.22 -0.09 0.20 -1.57 0.00 0.00 175.55 174.37 1yae s GLY 765 N 0.35 0.67 0.18 0.71 0.00 -1.18 -0.98 107.32 107.08 1yae s GLY 765 Ca 0.30 -0.95 -0.33 0.00 0.00 0.00 0.00 44.72 43.75 1yae s GLY 765 CO 0.14 -1.01 1.67 -0.62 0.00 0.00 0.00 173.10 173.29 1yae n VAL 766 N 1.11 0.02 -1.94 1.40 0.31 -1.26 -4.71 118.33 113.26 1yae n VAL 766 Ca -0.20 -0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.81 1yae n VAL 766 Cb 0.56 -1.81 0.01 0.00 -0.91 0.00 0.00 33.84 31.68 1yae n VAL 766 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yae s GLY 767 N 1.16 1.79 -0.28 2.92 0.00 0.15 -1.02 107.32 112.03 1yae s GLY 767 Ca 0.77 0.04 -0.20 0.00 0.00 0.00 0.00 44.72 45.34 1yae s GLY 767 CO 0.35 0.32 0.74 -1.59 0.00 0.00 0.00 173.10 172.93 1yae s THR 768 N -2.98 0.00 0.27 0.90 2.01 -0.30 -2.38 115.64 113.16 1yae s THR 768 Ca 0.57 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 1yae s THR 768 Cb -0.12 -1.00 -0.13 0.00 0.01 0.00 0.00 72.50 71.27 1yae s THR 768 CO 0.48 0.00 1.45 -0.81 -0.69 0.00 0.00 174.62 175.05 1yae n PRO 769 N 3.59 2.27 -1.06 4.92 -0.04 -1.26 -1.12 135.00 142.30 1yae n PRO 769 Ca -0.17 0.81 -0.39 0.00 -0.04 0.00 0.00 63.50 63.70 1yae n PRO 769 Cb 0.57 -2.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.50 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 1.83 0.00 -3.90 0.54 1.56 -1.26 -2.50 117.12 113.39 1yae n MET 770 Ca 0.09 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.24 1yae n MET 770 Cb 0.34 -0.89 -0.00 0.00 2.15 0.00 0.00 33.22 34.81 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 1.32 -0.47 3.81 -5.12 0.00 -1.26 -4.92 105.19 98.54 1yae n GLY 771 Ca 0.14 0.25 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.07 6.92 0.16 1.61 0.15 -1.04 -4.95 113.70 112.49 1yae s SER 772 Ca 0.17 1.78 0.24 0.00 0.70 0.00 0.00 55.95 58.84 1yae s SER 772 Cb -0.07 -2.55 0.91 0.00 -1.71 0.00 0.00 66.02 62.60 1yae s SER 772 CO 0.89 -0.37 1.74 -0.81 1.20 0.00 0.00 173.24 175.89 1yae n PRO 773 N -0.40 0.16 0.04 5.44 -0.04 -1.26 -3.85 135.00 135.09 1yae n PRO 773 Ca 0.06 0.25 -0.03 0.00 -0.04 0.00 0.00 63.50 63.75 1yae n PRO 773 Cb 0.53 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 1yae n PRO 773 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1yae h TYR 774 N 0.00 0.00 -0.06 0.54 0.05 -1.97 -3.42 116.97 112.10 1yae h TYR 774 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1yae h TYR 774 Cb 0.52 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 1yae h TYR 774 CO 0.00 0.72 0.00 0.07 -1.05 0.00 0.00 178.16 177.90 1yae h ARG 775 N 0.00 0.11 -1.01 4.88 -0.00 -1.98 -2.44 114.38 113.95 1yae h ARG 775 Ca -0.16 -0.03 0.23 0.00 -0.00 0.00 0.00 59.98 60.02 1yae h ARG 775 Cb 1.69 -0.01 -0.11 0.00 -0.00 0.00 0.00 29.97 31.54 1yae h ARG 775 CO 0.07 0.38 0.62 -0.44 -0.00 0.00 0.00 179.97 180.59 1yae h ASP 776 N -0.17 0.66 -0.39 0.08 3.32 -1.83 -0.09 116.42 118.01 1yae h ASP 776 Ca 0.02 0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1yae h ASP 776 Cb 0.33 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1yae h ASP 776 CO 0.00 0.16 -0.22 0.11 -1.72 0.00 0.00 179.24 177.58 1yae h LYS 777 N 0.60 0.83 -0.31 3.56 1.57 -1.72 -2.54 116.57 118.56 1yae h LYS 777 Ca 0.61 -0.38 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1yae h LYS 777 Cb 1.17 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1yae h LYS 777 CO -0.40 1.01 0.20 0.82 -0.57 0.00 0.00 179.45 180.51 1yae h ILE 778 N 0.63 1.06 -0.58 1.86 1.08 -0.60 -0.89 117.51 120.08 1yae h ILE 778 Ca 0.08 -0.14 0.11 0.00 -0.39 0.00 0.00 64.86 64.52 1yae h ILE 778 Cb 0.78 0.63 -0.08 0.00 -3.07 0.00 0.00 36.82 35.07 1yae h ILE 778 CO 0.06 0.07 0.10 0.74 -0.69 0.00 0.00 178.15 178.44 1yae h THR 779 N 0.40 0.63 -0.11 -0.27 2.02 -1.22 0.58 112.91 114.94 1yae h THR 779 Ca 0.12 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1yae h THR 779 Cb -0.03 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1yae h THR 779 CO -0.04 0.04 0.06 0.40 0.37 0.00 0.00 175.52 176.36 1yae h ILE 780 N 0.23 1.07 -0.28 3.11 5.03 -1.16 -2.09 117.51 123.41 1yae h ILE 780 Ca 0.30 -0.19 0.07 0.00 -0.12 0.00 0.00 64.86 64.92 1yae h ILE 780 Cb 0.45 1.00 -0.01 0.00 -3.03 0.00 0.00 36.82 35.22 1yae h ILE 780 CO -0.40 0.06 0.20 0.00 -0.68 0.00 0.00 178.15 177.33 1yae h ALA 781 N 0.99 2.18 -0.11 1.87 0.00 -0.11 -1.83 119.26 122.24 1yae h ALA 781 Ca 0.04 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1yae h ALA 781 Cb 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1yae h ALA 781 CO -0.01 -0.26 -0.78 0.82 0.00 0.00 0.00 179.25 179.03 1yae h ILE 782 N 0.07 1.30 -0.48 0.00 2.04 0.47 -2.83 117.51 118.07 1yae h ILE 782 Ca 0.13 -2.01 -0.09 0.00 1.00 0.00 0.00 64.86 63.90 1yae h ILE 782 Cb 0.44 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1yae h ILE 782 CO -0.01 0.63 -0.07 -0.07 0.00 0.00 0.00 178.15 178.63 1yae h LEU 783 N 0.42 0.82 0.27 1.44 3.38 -0.69 -2.03 115.31 118.92 1yae h LEU 783 Ca -0.07 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1yae h LEU 783 Cb 1.42 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1yae h LEU 783 CO 0.16 0.93 -0.26 -0.61 0.09 0.00 0.00 178.44 178.75 1yae h GLN 784 N 0.77 -0.53 0.00 1.13 4.15 -1.37 -0.45 115.11 118.81 1yae h GLN 784 Ca 0.13 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1yae h GLN 784 Cb 0.56 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 1yae h GLN 784 CO 0.03 -0.35 -0.04 -0.07 -1.93 0.00 0.00 178.83 176.46 1yae h LEU 785 N -0.55 0.00 0.36 -2.39 3.38 -1.33 0.15 115.31 114.93 1yae h LEU 785 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1yae h LEU 785 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1yae h LEU 785 CO -0.05 0.04 -0.17 -0.61 0.09 0.00 0.00 178.44 177.74 1yae h GLN 786 N 0.00 -0.47 -0.53 1.13 -0.00 -1.13 0.11 115.11 114.22 1yae h GLN 786 Ca -0.00 0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.73 1yae h GLN 786 Cb 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 27.48 27.59 1yae h GLN 786 CO 0.01 -0.20 -0.44 0.93 0.00 0.00 0.00 178.83 179.13 1yae h GLU 787 N -1.03 -0.15 -0.96 1.69 5.08 -0.75 0.17 114.58 118.62 1yae h GLU 787 Ca -0.05 0.01 0.30 0.00 -1.00 0.00 0.00 59.36 58.62 1yae h GLU 787 Cb 0.49 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.63 1yae h GLU 787 CO 0.08 -0.10 0.42 1.49 -1.00 0.00 0.00 179.01 179.90 1yae h GLU 788 N -0.16 0.22 0.00 2.33 4.81 -0.84 -3.45 114.58 117.49 1yae h GLU 788 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1yae h GLU 788 Cb 0.39 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1yae h GLU 788 CO -0.58 0.15 0.00 0.41 -0.73 0.00 0.00 179.01 178.25 1yae n GLY 789 N -1.33 0.91 0.24 1.92 0.00 0.59 -4.97 105.19 102.55 1yae n GLY 789 Ca 0.29 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1yae n GLY 789 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1yae h LYS 790 N 0.00 0.74 -0.08 1.61 1.63 -1.01 -2.78 116.57 116.69 1yae h LYS 790 Ca 0.00 -0.41 -0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1yae h LYS 790 Cb 0.13 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1yae h LYS 790 CO 0.00 1.03 0.04 -0.07 -3.45 0.00 0.00 179.45 177.00 1yae h LEU 791 N 0.60 0.09 -1.62 5.20 3.38 -1.75 0.24 115.31 121.45 1yae h LEU 791 Ca 0.04 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1yae h LEU 791 Cb 1.00 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1yae h LEU 791 CO 0.09 0.14 0.31 -0.74 0.09 0.00 0.00 178.44 178.33 1yae h HIS 792 N 0.04 0.48 -0.22 1.13 2.76 -1.85 -1.23 115.15 116.26 1yae h HIS 792 Ca 0.03 0.01 -0.21 0.00 -2.20 0.00 0.00 60.37 58.00 1yae h HIS 792 Cb 0.07 -0.16 0.01 0.00 1.55 0.00 0.00 27.41 28.87 1yae h HIS 792 CO -0.05 0.28 -0.67 0.52 -1.30 0.00 0.00 177.93 176.71 1yae h MET 793 N 0.49 0.84 -0.26 5.26 2.86 -1.09 -2.04 114.93 120.98 1yae h MET 793 Ca 0.19 -0.61 -0.03 0.00 -2.06 0.00 0.00 59.70 57.19 1yae h MET 793 Cb 0.13 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1yae h MET 793 CO -0.05 1.23 0.03 0.52 1.06 0.00 0.00 176.91 179.70 1yae h MET 794 N 0.61 0.45 -0.95 1.72 2.07 -0.72 -1.88 114.93 116.22 1yae h MET 794 Ca -0.02 -0.13 0.17 0.00 -2.07 0.00 0.00 59.70 57.65 1yae h MET 794 Cb 1.29 -0.05 -0.10 0.00 -1.87 0.00 0.00 31.60 30.87 1yae h MET 794 CO 0.14 0.58 0.55 -0.22 1.07 0.00 0.00 176.91 179.03 1yae h LYS 795 N 0.25 0.71 -0.16 1.72 1.63 -1.25 0.79 116.57 120.26 1yae h LYS 795 Ca 0.08 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 1yae h LYS 795 Cb 0.36 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1yae h LYS 795 CO 0.01 0.47 -0.33 1.49 -3.45 0.00 0.00 179.45 177.63 1yae h GLU 796 N 0.73 0.31 -0.37 1.90 4.57 -1.03 -2.86 114.58 117.83 1yae h GLU 796 Ca 0.53 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.53 1yae h GLU 796 Cb 0.79 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1yae h GLU 796 CO -0.37 0.61 -0.00 -0.22 -1.18 0.00 0.00 179.01 177.85 1yae h LYS 797 N 0.27 0.65 0.00 1.92 3.64 -0.04 -3.33 116.57 119.68 1yae h LYS 797 Ca 0.03 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1yae h LYS 797 Cb 0.72 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1yae h LYS 797 CO 0.05 0.76 -1.16 0.91 -2.27 0.00 0.00 179.45 177.74 1yae n TRP 798 N -4.48 0.30 -3.89 1.91 7.02 -0.82 -4.62 117.44 112.86 1yae n TRP 798 Ca -0.01 0.09 -0.30 0.00 -1.02 0.00 0.00 57.50 56.25 1yae n TRP 798 Cb 0.28 -0.49 -0.12 0.00 -2.42 0.00 0.00 31.31 28.56 1yae n TRP 798 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1yae s TRP 799 N -3.25 3.45 0.00 -5.99 0.52 -1.08 -4.91 118.94 107.67 1yae s TRP 799 Ca 0.02 -3.22 0.00 0.00 0.02 0.00 0.00 56.10 52.91 1yae s TRP 799 Cb 0.14 -2.82 0.00 0.00 -1.15 0.00 0.00 33.47 29.64 1yae s TRP 799 CO 0.82 -0.65 0.00 -2.13 0.02 0.00 0.00 176.95 175.01 1yae n ARG 800 N 2.50 0.00 0.00 4.98 0.63 -1.26 -4.81 116.66 118.70 1yae n ARG 800 Ca 0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1yae n ARG 800 Cb 0.34 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.25 1yae n ARG 800 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1yae n GLY 801 N 0.00 1.76 2.98 5.14 0.00 -1.25 -5.11 105.19 108.71 1yae n GLY 801 Ca 0.00 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 1yae n GLY 801 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yae s ASN 802 N -1.00 -0.12 0.00 1.61 0.01 -1.26 -5.08 114.94 109.09 1yae s ASN 802 Ca 0.00 0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.41 1yae s ASN 802 Cb 0.00 0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.89 1yae s ASN 802 CO 0.00 -0.07 0.00 0.61 -1.51 0.00 0.00 177.10 176.13 1yae n GLY 803 N 3.34 -1.15 1.32 0.66 0.00 -1.26 -5.05 105.19 103.05 1yae n GLY 803 Ca -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1yae n GLY 803 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32