#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 -1.92 -1.44 0.13 -1.26 -4.82 119.36 110.05 1yae n ILE 424 Ca 0.00 -0.10 -0.42 0.00 -1.10 0.00 0.00 62.75 61.13 1yae n ILE 424 Cb 0.00 0.53 -0.03 0.00 -0.84 0.00 0.00 39.64 39.31 1yae n ILE 424 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 1yae s THR 425 N -1.01 2.65 -1.50 9.51 2.01 -1.26 -1.51 115.64 124.53 1yae s THR 425 Ca 0.00 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1yae s THR 425 Cb 0.00 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1yae s THR 425 CO 0.00 0.03 0.00 0.47 -0.69 0.00 0.00 174.62 174.43 1yae n ASP 426 N 4.19 -4.79 -0.11 3.53 9.92 0.11 -4.90 116.55 124.49 1yae n ASP 426 Ca 0.14 0.16 -0.06 0.00 -0.53 0.00 0.00 54.79 54.51 1yae n ASP 426 Cb 0.39 -4.09 0.02 0.00 -0.64 0.00 0.00 41.12 36.80 1yae n ASP 426 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1yae h SER 427 N 0.00 0.11 -1.84 -2.24 0.87 -1.28 -3.09 113.55 106.07 1yae h SER 427 Ca -0.38 0.05 -0.72 0.00 -1.23 0.00 0.00 61.79 59.51 1yae h SER 427 Cb 1.24 0.04 -0.31 0.00 -0.44 0.00 0.00 62.40 62.94 1yae h SER 427 CO 0.47 0.10 0.60 0.18 -0.53 0.00 0.00 176.83 177.65 1yae n LEU 428 N -5.04 6.81 0.13 2.23 4.77 -0.71 -4.74 117.00 120.45 1yae n LEU 428 Ca 0.02 -4.92 -0.00 0.00 -0.03 0.00 0.00 56.01 51.08 1yae n LEU 428 Cb 0.15 -0.91 0.28 0.00 -2.33 0.00 0.00 43.42 40.61 1yae n LEU 428 CO 0.26 1.88 0.68 0.28 -1.33 0.00 0.00 177.39 179.16 1yae h SER 429 N 2.86 0.16 -0.12 -1.43 0.02 -1.60 -3.05 113.55 110.40 1yae h SER 429 Ca 0.50 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.40 1yae h SER 429 Cb 0.28 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1yae h SER 429 CO 1.29 0.53 0.08 0.78 -1.14 0.00 0.00 176.83 178.37 1yae h ASN 430 N 0.13 0.10 -3.65 3.07 -0.26 -1.85 -3.45 115.58 109.68 1yae h ASN 430 Ca 0.01 -0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 55.26 1yae h ASN 430 Cb 0.74 -0.02 0.02 0.00 -1.06 0.00 0.00 38.32 38.00 1yae h ASN 430 CO 0.06 0.07 0.12 -0.13 -1.06 0.00 0.00 177.43 176.49 1yae s ARG 431 N -5.16 3.66 -0.09 0.81 3.00 -1.15 -5.01 118.95 115.01 1yae s ARG 431 Ca -0.06 0.34 -0.00 0.00 0.00 0.00 0.00 55.73 56.01 1yae s ARG 431 Cb 0.17 -2.38 0.02 0.00 0.00 0.00 0.00 34.95 32.77 1yae s ARG 431 CO 0.69 -0.13 -0.05 -1.54 0.00 0.00 0.00 175.30 174.28 1yae s SER 432 N -3.63 1.80 0.11 0.23 1.04 -1.26 -2.41 113.70 109.58 1yae s SER 432 Ca 0.49 -0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.79 1yae s SER 432 Cb -0.10 -0.64 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 1yae s SER 432 CO 0.38 -0.13 -0.06 -0.76 0.98 0.00 0.00 173.24 173.65 1yae s LEU 433 N 1.67 3.19 -0.26 2.42 1.02 0.35 -4.96 118.68 122.10 1yae s LEU 433 Ca 0.02 -0.34 -0.07 0.00 0.02 0.00 0.00 54.13 53.76 1yae s LEU 433 Cb -0.13 -1.94 -0.01 0.00 0.02 0.00 0.00 46.19 44.13 1yae s LEU 433 CO -0.05 0.16 0.06 -0.63 0.02 0.00 0.00 176.35 175.91 1yae s ILE 434 N -1.33 4.05 -0.25 -0.59 1.01 -1.26 -0.47 121.20 122.36 1yae s ILE 434 Ca 0.24 -0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1yae s ILE 434 Cb -0.11 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1yae s ILE 434 CO 0.16 0.25 0.12 -0.69 0.00 0.00 0.00 174.94 174.77 1yae s VAL 435 N 1.55 4.76 0.13 2.92 1.01 0.17 -0.23 120.40 130.71 1yae s VAL 435 Ca 0.05 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1yae s VAL 435 Cb -0.16 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 1yae s VAL 435 CO 0.02 0.32 0.53 0.28 0.00 0.00 0.00 175.10 176.26 1yae s THR 436 N 1.49 4.87 0.29 3.92 -1.32 -0.32 -0.23 115.64 124.36 1yae s THR 436 Ca 0.06 0.84 -0.08 0.00 -1.21 0.00 0.00 61.69 61.29 1yae s THR 436 Cb -0.15 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.10 1yae s THR 436 CO 0.06 0.30 0.48 0.28 -2.21 0.00 0.00 174.62 173.53 1yae s THR 437 N -1.40 0.00 0.09 5.08 -1.32 -0.80 -2.38 115.64 114.91 1yae s THR 437 Ca 0.36 -1.48 0.06 0.00 -1.21 0.00 0.00 61.69 59.41 1yae s THR 437 Cb -0.15 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1yae s THR 437 CO 0.19 0.00 -0.15 -0.51 -2.21 0.00 0.00 174.62 171.94 1yae s ILE 438 N -3.52 1.25 -0.19 5.08 2.07 -1.26 -0.20 121.20 124.43 1yae s ILE 438 Ca 0.26 -1.48 -0.29 0.00 -1.41 0.00 0.00 60.65 57.73 1yae s ILE 438 Cb -0.00 -1.29 -0.01 0.00 0.13 0.00 0.00 42.46 41.29 1yae s ILE 438 CO 0.14 -0.28 1.19 -0.76 -1.91 0.00 0.00 174.94 173.32 1yae s LEU 439 N -2.01 4.15 -0.30 8.50 1.43 -1.26 -4.54 118.68 124.65 1yae s LEU 439 Ca 0.03 1.58 -0.10 0.00 -1.03 0.00 0.00 54.13 54.61 1yae s LEU 439 Cb -0.08 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.75 1yae s LEU 439 CO 0.03 -0.73 0.76 -1.61 0.23 0.00 0.00 176.35 175.02 1yae s GLU 440 N 3.40 0.48 0.19 1.70 0.41 -0.67 -4.99 118.70 119.22 1yae s GLU 440 Ca 0.51 1.14 -0.30 0.00 -0.41 0.00 0.00 54.97 55.91 1yae s GLU 440 Cb -0.19 0.68 -0.08 0.00 -1.78 0.00 0.00 34.13 32.75 1yae s GLU 440 CO 0.12 -0.23 1.17 -2.00 -0.49 0.00 0.00 175.26 173.82 1yae s GLU 441 N 2.77 4.53 -0.50 1.61 2.12 -1.26 0.34 118.70 128.30 1yae s GLU 441 Ca -0.01 1.83 0.02 0.00 0.36 0.00 0.00 54.97 57.17 1yae s GLU 441 Cb -0.11 -3.25 0.51 0.00 0.26 0.00 0.00 34.13 31.55 1yae s GLU 441 CO -0.18 -0.03 1.79 -0.35 -0.54 0.00 0.00 175.26 175.95 1yae n PRO 442 N 2.40 2.61 -0.07 4.30 -0.04 -1.26 -4.95 135.00 137.99 1yae n PRO 442 Ca 0.04 -3.35 -0.14 0.00 -0.04 0.00 0.00 63.50 60.00 1yae n PRO 442 Cb 0.45 -2.19 -0.13 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 1.65 0.01 -3.50 0.54 0.05 -0.45 -1.44 116.97 113.84 1yae h TYR 443 Ca 0.52 -0.01 -0.30 0.00 0.05 0.00 0.00 58.73 58.99 1yae h TYR 443 Cb 1.52 -0.00 -0.34 0.00 1.01 0.00 0.00 36.73 38.92 1yae h TYR 443 CO 1.33 1.00 -0.73 0.08 -1.05 0.00 0.00 178.16 178.79 1yae s VAL 444 N -2.24 -0.06 -0.03 -2.88 1.01 -0.50 -1.18 120.40 114.51 1yae s VAL 444 Ca -0.19 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 1yae s VAL 444 Cb -0.03 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.28 1yae s VAL 444 CO 0.69 0.09 0.25 -0.76 0.00 0.00 0.00 175.10 175.37 1yae s LEU 445 N 1.12 1.09 0.22 3.92 1.02 0.12 -1.67 118.68 124.50 1yae s LEU 445 Ca -0.09 0.13 -0.31 0.00 0.02 0.00 0.00 54.13 53.89 1yae s LEU 445 Cb -0.13 0.99 -0.12 0.00 0.02 0.00 0.00 46.19 46.96 1yae s LEU 445 CO -0.03 -0.32 1.67 -0.36 0.02 0.00 0.00 176.35 177.33 1yae s PHE 446 N -0.91 2.89 0.35 0.29 0.08 -1.26 -0.56 117.98 118.86 1yae s PHE 446 Ca -0.10 0.48 -0.26 0.00 0.12 0.00 0.00 56.93 57.17 1yae s PHE 446 Cb -0.05 -4.10 -0.09 0.00 -0.57 0.00 0.00 43.02 38.21 1yae s PHE 446 CO 0.02 -4.04 1.08 0.21 -0.10 0.00 0.00 175.22 172.40 1yae s LYS 447 N 0.75 4.33 0.07 0.44 2.20 0.51 -4.83 119.74 123.21 1yae s LYS 447 Ca 0.71 1.66 -0.30 0.00 -0.36 0.00 0.00 55.97 57.68 1yae s LYS 447 Cb -0.49 -2.80 -0.06 0.00 -1.51 0.00 0.00 37.83 32.97 1yae s LYS 447 CO 0.36 -0.03 1.18 0.21 -0.36 0.00 0.00 175.35 176.71 1yae s LYS 448 N -2.07 4.45 0.01 4.03 2.36 -1.26 -5.00 119.74 122.26 1yae s LYS 448 Ca 0.53 1.75 -0.28 0.00 -2.55 0.00 0.00 55.97 55.42 1yae s LYS 448 Cb -0.27 -3.34 0.10 0.00 -1.05 0.00 0.00 37.83 33.27 1yae s LYS 448 CO 0.34 -0.21 0.86 0.45 1.55 0.00 0.00 175.35 178.33 1yae s SER 449 N 0.92 -0.39 0.00 1.43 0.15 -1.26 -5.05 113.70 109.50 1yae s SER 449 Ca 0.57 0.01 0.01 0.00 0.70 0.00 0.00 55.95 57.25 1yae s SER 449 Cb -0.29 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1yae s SER 449 CO 0.30 -0.65 0.65 -0.90 1.20 0.00 0.00 173.24 173.83 1yae n ASP 450 N -0.23 1.32 -4.44 5.45 5.68 -1.26 -4.98 116.55 118.09 1yae n ASP 450 Ca -0.10 -1.27 -0.31 0.00 -0.50 0.00 0.00 54.79 52.61 1yae n ASP 450 Cb 0.62 -0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.46 1yae n ASP 450 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1yae s LYS 451 N -0.30 2.16 0.17 0.11 -0.14 -1.26 -5.09 119.74 115.39 1yae s LYS 451 Ca 0.01 -0.91 -0.32 0.00 -1.36 0.00 0.00 55.97 53.39 1yae s LYS 451 Cb 0.01 -2.20 -0.11 0.00 -1.68 0.00 0.00 37.83 33.85 1yae s LYS 451 CO 0.01 0.56 1.72 -2.14 -0.76 0.00 0.00 175.35 174.75 1yae s PRO 452 N -1.16 4.15 -0.00 -1.68 0.02 -1.26 -4.97 135.00 130.09 1yae s PRO 452 Ca 0.13 2.55 -0.05 0.00 0.02 0.00 0.00 61.00 63.65 1yae s PRO 452 Cb -0.10 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 1yae s PRO 452 CO 0.03 -0.75 0.23 -0.51 -0.33 0.00 0.00 177.00 175.67 1yae s LEU 453 N 1.70 4.37 0.07 -5.54 1.43 -1.26 -5.11 118.68 114.34 1yae s LEU 453 Ca 0.76 0.47 0.08 0.00 -1.03 0.00 0.00 54.13 54.41 1yae s LEU 453 Cb -0.47 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 1yae s LEU 453 CO 0.33 0.26 -0.23 -0.47 0.23 0.00 0.00 176.35 176.47 1yae s TYR 454 N -1.31 1.97 0.00 0.29 5.04 -1.26 -4.77 117.35 117.31 1yae s TYR 454 Ca 0.27 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.51 1yae s TYR 454 Cb -0.13 -1.13 0.00 0.00 0.35 0.00 0.00 41.96 41.05 1yae s TYR 454 CO 0.17 0.17 0.00 0.41 -1.34 0.00 0.00 175.55 174.96 1yae n GLY 455 N 1.49 3.20 0.23 8.97 0.00 -1.26 -2.89 105.19 114.93 1yae n GLY 455 Ca -0.18 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 6.05 0.00 0.08 1.61 2.35 -1.92 -2.41 115.58 121.35 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 0.22 0.00 -0.78 -1.65 0.00 0.00 177.43 175.22 1yae h ASP 457 N 0.00 0.00 1.66 5.81 1.82 -1.93 -2.75 116.42 121.02 1yae h ASP 457 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1yae h ASP 457 Cb 0.48 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.49 1yae h ASP 457 CO 0.03 0.00 -0.13 0.08 -1.61 0.00 0.00 179.24 177.61 1yae h ARG 458 N 0.00 0.00 -6.23 0.28 0.11 -1.55 -3.46 114.38 103.53 1yae h ARG 458 Ca 0.00 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.52 1yae h ARG 458 Cb 0.04 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.04 1yae h ARG 458 CO 0.00 0.13 -0.59 -0.06 0.10 0.00 0.00 179.97 179.55 1yae s PHE 459 N -3.26 2.99 0.11 4.08 0.08 -1.04 -0.36 117.98 120.58 1yae s PHE 459 Ca 0.05 -0.11 -0.10 0.00 0.12 0.00 0.00 56.93 56.89 1yae s PHE 459 Cb 0.07 -1.39 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 1yae s PHE 459 CO 0.67 0.54 0.25 -1.83 -0.10 0.00 0.00 175.22 174.74 1yae s GLU 460 N -3.38 0.96 0.00 0.44 -1.05 0.28 -4.76 118.70 111.17 1yae s GLU 460 Ca 0.31 -0.97 0.00 0.00 -0.15 0.00 0.00 54.97 54.15 1yae s GLU 460 Cb -0.09 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1yae s GLU 460 CO 0.22 -0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.51 1yae n GLY 461 N -0.12 2.48 0.19 -3.83 0.00 -1.26 0.11 105.19 102.76 1yae n GLY 461 Ca -0.13 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 1yae n GLY 461 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1yae h TYR 462 N 0.00 -0.33 -0.14 1.61 3.20 -0.49 -1.42 116.97 119.41 1yae h TYR 462 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1yae h TYR 462 Cb 0.00 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1yae h TYR 462 CO 0.00 -0.20 -0.04 0.00 -1.64 0.00 0.00 178.16 176.27 1yae h ILE 464 N 0.20 1.26 -0.53 0.00 5.03 -1.44 -1.00 117.51 121.02 1yae h ILE 464 Ca 0.05 -0.93 -0.07 0.00 -0.12 0.00 0.00 64.86 63.78 1yae h ILE 464 Cb 0.21 1.27 -0.02 0.00 -3.03 0.00 0.00 36.82 35.26 1yae h ILE 464 CO 0.01 0.30 0.05 0.44 -0.68 0.00 0.00 178.15 178.27 1yae h ASP 465 N 0.32 0.87 -0.45 1.72 5.19 -0.78 -1.33 116.42 121.97 1yae h ASP 465 Ca 0.09 -0.28 0.08 0.00 -0.62 0.00 0.00 57.03 56.29 1yae h ASP 465 Cb 0.43 -0.23 -0.07 0.00 0.18 0.00 0.00 39.33 39.64 1yae h ASP 465 CO 0.01 0.93 0.05 0.25 -3.12 0.00 0.00 179.24 177.37 1yae h LEU 466 N 0.78 -0.08 0.08 1.55 5.85 -0.84 0.75 115.31 123.39 1yae h LEU 466 Ca 0.16 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1yae h LEU 466 Cb 0.46 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1yae h LEU 466 CO 0.02 -0.01 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.97 1yae h LEU 467 N 0.17 -0.17 -0.75 2.25 3.38 -0.88 0.23 115.31 119.54 1yae h LEU 467 Ca 0.22 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1yae h LEU 467 Cb 0.31 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1yae h LEU 467 CO -0.33 -0.11 0.41 -0.09 0.09 0.00 0.00 178.44 178.42 1yae h ARG 468 N -0.16 0.69 0.35 1.13 2.43 -0.77 0.20 114.38 118.25 1yae h ARG 468 Ca 0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1yae h ARG 468 Cb 0.15 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1yae h ARG 468 CO -0.01 0.46 -0.17 0.93 -1.51 0.00 0.00 179.97 179.67 1yae h GLU 469 N 0.71 -0.45 -0.90 0.20 4.39 -0.36 -0.39 114.58 117.78 1yae h GLU 469 Ca 0.36 0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.20 1yae h GLU 469 Cb 0.31 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.99 1yae h GLU 469 CO -0.23 -0.23 0.58 -0.07 -1.16 0.00 0.00 179.01 177.89 1yae h LEU 470 N -0.58 0.75 -0.06 1.33 3.38 -0.17 -1.89 115.31 118.06 1yae h LEU 470 Ca -0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1yae h LEU 470 Cb 0.43 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1yae h LEU 470 CO 0.08 0.41 0.03 -1.28 0.09 0.00 0.00 178.44 177.77 1yae h SER 471 N 0.81 0.08 -0.31 -0.43 0.87 -0.36 0.52 113.55 114.73 1yae h SER 471 Ca 0.43 -0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.94 1yae h SER 471 Cb 0.54 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.40 1yae h SER 471 CO -0.20 0.18 -0.27 0.74 -0.53 0.00 0.00 176.83 176.76 1yae h THR 472 N -0.02 0.34 0.39 2.23 2.02 -0.31 0.84 112.91 118.40 1yae h THR 472 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1yae h THR 472 Cb 0.12 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1yae h THR 472 CO -0.00 0.00 -0.19 0.40 0.37 0.00 0.00 175.52 176.10 1yae h ILE 473 N -0.24 0.54 0.00 3.11 5.03 -1.29 -3.28 117.51 121.37 1yae h ILE 473 Ca 0.16 -0.52 0.00 0.00 -0.12 0.00 0.00 64.86 64.38 1yae h ILE 473 Cb 0.49 0.77 0.00 0.00 -3.03 0.00 0.00 36.82 35.05 1yae h ILE 473 CO -0.45 0.09 -0.14 0.18 -0.68 0.00 0.00 178.15 177.15 1yae n LEU 474 N -5.19 0.73 -1.90 1.44 4.77 0.16 -0.71 117.00 116.30 1yae n LEU 474 Ca -0.10 0.49 -0.15 0.00 -0.03 0.00 0.00 56.01 56.22 1yae n LEU 474 Cb 0.28 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1yae n LEU 474 CO 0.30 -0.14 -0.07 0.61 -1.33 0.00 0.00 177.39 176.76 1yae n GLY 475 N 1.33 -0.16 3.97 -0.72 0.00 0.29 -1.74 105.19 108.16 1yae n GLY 475 Ca 0.05 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.86 3.41 -0.03 1.61 -0.12 -1.22 -3.76 117.98 115.02 1yae s PHE 476 Ca 0.12 0.00 -0.03 0.00 -0.05 0.00 0.00 56.93 56.98 1yae s PHE 476 Cb -0.05 -1.67 -0.04 0.00 -0.63 0.00 0.00 43.02 40.63 1yae s PHE 476 CO 0.15 0.34 0.16 0.95 -0.05 0.00 0.00 175.22 176.77 1yae s THR 477 N -2.05 5.32 -0.00 -4.49 -4.23 -1.01 -4.83 115.64 104.35 1yae s THR 477 Ca 0.36 -0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.70 1yae s THR 477 Cb -0.09 -3.45 -0.00 0.00 1.34 0.00 0.00 72.50 70.29 1yae s THR 477 CO 0.30 0.38 0.05 -0.72 -0.54 0.00 0.00 174.62 174.09 1yae s TYR 478 N -1.26 0.06 -0.19 3.99 1.13 -1.26 0.13 117.35 119.96 1yae s TYR 478 Ca 0.25 -0.13 0.00 0.00 -1.41 0.00 0.00 57.07 55.78 1yae s TYR 478 Cb -0.12 -0.06 0.02 0.00 -1.10 0.00 0.00 41.96 40.69 1yae s TYR 478 CO 0.16 -0.14 -0.17 -2.00 -2.51 0.00 0.00 175.55 170.89 1yae s GLU 479 N -0.76 2.99 0.14 -3.49 2.12 0.38 -4.90 118.70 115.17 1yae s GLU 479 Ca -0.08 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.10 1yae s GLU 479 Cb -0.05 -2.67 -0.06 0.00 0.26 0.00 0.00 34.13 31.60 1yae s GLU 479 CO 0.00 -0.24 0.99 0.42 -0.54 0.00 0.00 175.26 175.89 1yae s ILE 480 N 1.31 4.31 -0.04 -3.70 1.01 -1.26 -0.66 121.20 122.17 1yae s ILE 480 Ca 0.04 1.96 -0.01 0.00 0.00 0.00 0.00 60.65 62.64 1yae s ILE 480 Cb -0.14 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 38.11 1yae s ILE 480 CO -0.11 0.32 0.07 0.00 0.00 0.00 0.00 174.94 175.23 1yae s ARG 481 N -0.18 -0.01 0.36 2.79 1.70 0.68 -4.93 118.95 119.36 1yae s ARG 481 Ca 0.47 0.29 -0.28 0.00 -0.47 0.00 0.00 55.73 55.74 1yae s ARG 481 Cb -0.25 -0.28 -0.11 0.00 -0.57 0.00 0.00 34.95 33.74 1yae s ARG 481 CO 0.31 -0.21 1.41 -0.51 -1.08 0.00 0.00 175.30 175.23 1yae s LEU 482 N 1.38 4.35 -0.19 -1.89 1.02 -1.26 -1.91 118.68 120.20 1yae s LEU 482 Ca -0.06 2.91 -0.38 0.00 0.02 0.00 0.00 54.13 56.62 1yae s LEU 482 Cb -0.12 -3.67 -0.15 0.00 0.02 0.00 0.00 46.19 42.27 1yae s LEU 482 CO -0.04 -0.75 1.71 0.52 0.02 0.00 0.00 176.35 177.82 1yae n VAL 483 N 0.57 0.31 -0.20 -1.59 0.31 0.72 -4.80 118.33 113.65 1yae n VAL 483 Ca 0.01 -0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 1yae n VAL 483 Cb 0.40 -1.30 -0.07 0.00 -0.91 0.00 0.00 33.84 31.96 1yae n VAL 483 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1yae h GLU 484 N 7.21 -0.27 0.00 5.55 4.39 -1.91 -1.81 114.58 127.74 1yae h GLU 484 Ca -0.47 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1yae h GLU 484 Cb 1.31 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1yae h GLU 484 CO 0.93 -0.18 -0.07 -0.40 -1.16 0.00 0.00 179.01 178.14 1yae n ASP 485 N -5.38 0.16 -0.81 1.42 5.75 -1.26 -4.94 116.55 111.49 1yae n ASP 485 Ca -0.00 0.42 -0.08 0.00 -0.01 0.00 0.00 54.79 55.12 1yae n ASP 485 Cb 0.34 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 39.98 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 1.48 0.26 3.29 6.12 0.00 -0.68 -5.03 105.19 110.62 1yae n GLY 486 Ca 0.07 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.00 1.17 -0.06 1.61 1.02 -1.26 -5.06 119.74 113.17 1yae s LYS 487 Ca 0.00 -1.46 -0.26 0.00 0.02 0.00 0.00 55.97 54.27 1yae s LYS 487 Cb 0.00 -0.91 -0.21 0.00 -0.52 0.00 0.00 37.83 36.19 1yae s LYS 487 CO 0.00 0.15 1.08 1.88 -0.92 0.00 0.00 175.35 177.54 1yae h TYR 488 N 2.86 -0.03 0.00 3.18 -1.99 -1.94 -1.26 116.97 117.78 1yae h TYR 488 Ca -0.38 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.35 1yae h TYR 488 Cb 1.20 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.95 1yae h TYR 488 CO 0.68 0.57 0.00 0.41 -0.00 0.00 0.00 178.16 179.82 1yae n GLY 489 N 0.63 1.76 3.56 3.88 0.00 -1.26 -1.13 105.19 112.62 1yae n GLY 489 Ca -0.09 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 2.95 -0.18 4.61 0.00 -1.26 -4.81 121.76 123.06 1yae s ALA 490 Ca 0.00 -1.74 -0.17 0.00 0.00 0.00 0.00 51.96 50.05 1yae s ALA 490 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1yae s ALA 490 CO 0.00 0.29 0.45 -1.14 0.00 0.00 0.00 175.76 175.36 1yae s GLN 491 N -3.50 4.22 0.13 0.00 0.74 -1.26 -2.49 119.66 117.50 1yae s GLN 491 Ca 0.30 0.32 -0.31 0.00 0.05 0.00 0.00 55.36 55.72 1yae s GLN 491 Cb -0.06 -3.52 -0.10 0.00 1.10 0.00 0.00 33.01 30.44 1yae s GLN 491 CO 0.17 -0.02 1.64 0.34 -0.55 0.00 0.00 175.29 176.87 1yae s ASP 492 N 0.96 6.56 0.09 6.67 2.15 0.82 -4.85 116.67 129.07 1yae s ASP 492 Ca 0.22 2.61 -0.27 0.00 0.43 0.00 0.00 52.55 55.53 1yae s ASP 492 Cb -0.15 -2.58 -0.13 0.00 -0.30 0.00 0.00 42.92 39.76 1yae s ASP 492 CO 0.09 -0.88 1.67 0.44 -0.17 0.00 0.00 175.17 176.32 1yae h ASP 493 N 7.53 -0.49 0.78 -0.34 3.32 -1.96 0.24 116.42 125.50 1yae h ASP 493 Ca -0.43 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 1yae h ASP 493 Cb 1.20 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 1yae h ASP 493 CO 0.93 -0.29 -0.49 0.58 -1.72 0.00 0.00 179.24 178.24 1yae h VAL 494 N -0.44 0.02 -0.29 -1.35 2.07 -2.00 -3.34 116.25 110.92 1yae h VAL 494 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1yae h VAL 494 Cb 0.39 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1yae h VAL 494 CO -0.02 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.11 1yae n ASN 495 N -5.62 3.29 -4.04 0.57 6.94 -1.25 -5.00 115.26 110.15 1yae n ASN 495 Ca -0.15 -2.46 -0.29 0.00 -0.02 0.00 0.00 54.58 51.67 1yae n ASN 495 Cb 0.50 -0.36 -0.02 0.00 -2.36 0.00 0.00 39.78 37.54 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 -0.00 -0.31 3.53 4.83 0.00 0.84 -4.96 105.19 109.12 1yae n GLY 496 Ca 0.15 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 1yae n GLY 496 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yae s GLN 497 N -6.69 2.34 0.26 1.61 -0.21 -1.24 -4.75 119.66 110.98 1yae s GLN 497 Ca 0.27 -0.84 -0.13 0.00 0.02 0.00 0.00 55.36 54.68 1yae s GLN 497 Cb -0.15 -2.36 -0.08 0.00 1.00 0.00 0.00 33.01 31.43 1yae s GLN 497 CO 0.90 0.57 0.64 -1.58 -2.12 0.00 0.00 175.29 173.71 1yae s TRP 498 N -0.96 3.43 0.05 0.91 0.52 -1.26 -0.13 118.94 121.51 1yae s TRP 498 Ca 0.16 1.08 -0.01 0.00 0.02 0.00 0.00 56.10 57.34 1yae s TRP 498 Cb -0.11 -2.42 -0.01 0.00 -1.15 0.00 0.00 33.47 29.79 1yae s TRP 498 CO 0.06 0.21 -0.03 0.27 0.02 0.00 0.00 176.95 177.49 1yae n ASN 499 N -0.09 0.89 0.00 2.95 6.94 -1.04 -4.59 115.26 120.32 1yae n ASN 499 Ca 0.01 0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 1yae n ASN 499 Cb 0.53 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 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 3.21 0.85 0.37 4.83 0.00 -1.26 -4.27 105.19 108.94 1yae n GLY 500 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 0.64 -0.45 1.61 2.86 0.13 -1.50 114.93 118.22 1yae h MET 501 Ca 0.00 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.68 1yae h MET 501 Cb 0.00 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.44 1yae h MET 501 CO 0.00 0.42 0.01 0.28 1.06 0.00 0.00 176.91 178.68 1yae h VAL 502 N 0.66 0.67 -0.22 -2.22 2.07 -1.76 -2.09 116.25 113.36 1yae h VAL 502 Ca 0.53 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.98 1yae h VAL 502 Cb 0.96 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1yae h VAL 502 CO -0.29 0.02 0.04 -0.09 0.02 0.00 0.00 177.57 177.28 1yae h ARG 503 N 0.12 0.35 -0.64 1.57 9.65 -1.47 -2.79 114.38 121.17 1yae h ARG 503 Ca 0.22 -0.09 0.18 0.00 -1.10 0.00 0.00 59.98 59.19 1yae h ARG 503 Cb 0.32 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1yae h ARG 503 CO -0.36 0.48 0.46 0.93 2.80 0.00 0.00 179.97 184.28 1yae h GLU 504 N 0.16 0.05 -0.01 0.20 5.08 -0.83 -1.22 114.58 118.02 1yae h GLU 504 Ca 0.07 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1yae h GLU 504 Cb 0.30 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1yae h GLU 504 CO 0.00 0.03 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.97 1yae h LEU 505 N 0.05 0.02 -0.52 1.33 3.38 -1.13 -1.55 115.31 116.88 1yae h LEU 505 Ca 0.31 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.85 1yae h LEU 505 Cb 1.15 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 1yae h LEU 505 CO -0.02 0.52 0.16 0.40 0.09 0.00 0.00 178.44 179.60 1yae h ILE 506 N -0.48 0.78 0.00 1.22 2.04 -1.09 0.32 117.51 120.29 1yae h ILE 506 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1yae h ILE 506 Cb 0.52 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1yae h ILE 506 CO 0.00 0.06 0.00 0.47 0.00 0.00 0.00 178.15 178.68 1yae n ASP 507 N -5.04 0.09 -0.58 1.72 8.00 -0.99 -4.81 116.55 114.93 1yae n ASP 507 Ca 0.06 0.54 -0.08 0.00 0.71 0.00 0.00 54.79 56.02 1yae n ASP 507 Cb 0.23 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 1yae n ASP 507 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1yae n HIS 508 N -1.61 0.00 -0.02 1.24 8.25 0.11 -4.86 115.22 118.33 1yae n HIS 508 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.55 1yae n HIS 508 Cb 0.05 -2.21 0.48 0.00 1.12 0.00 0.00 29.99 29.44 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 0.10 0.42 -5.46 -0.41 1.57 -1.49 -3.42 116.57 107.88 1yae h LYS 509 Ca -0.16 -0.03 -0.42 0.00 -1.87 0.00 0.00 60.65 58.18 1yae h LYS 509 Cb 0.94 -0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.00 1yae h LYS 509 CO 0.23 0.28 -0.74 0.00 -0.57 0.00 0.00 179.45 178.64 1yae s ALA 510 N -5.40 1.75 -0.11 3.86 0.00 -1.10 -4.94 121.76 115.82 1yae s ALA 510 Ca -0.08 -1.50 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 1yae s ALA 510 Cb 0.18 -0.07 -0.27 0.00 0.00 0.00 0.00 23.12 22.97 1yae s ALA 510 CO 0.73 0.06 0.43 -0.44 0.00 0.00 0.00 175.76 176.55 1yae h ASP 511 N 2.97 0.44 -4.43 0.00 3.32 -0.87 -3.42 116.42 114.43 1yae h ASP 511 Ca -0.39 -0.93 -0.32 0.00 0.02 0.00 0.00 57.03 55.41 1yae h ASP 511 Cb 1.21 -0.14 -0.24 0.00 0.22 0.00 0.00 39.33 40.37 1yae h ASP 511 CO 0.58 1.82 -0.75 -0.76 -1.72 0.00 0.00 179.24 178.41 1yae s LEU 512 N -7.15 2.17 -0.33 1.55 1.02 -1.12 -4.25 118.68 110.56 1yae s LEU 512 Ca -0.21 -0.40 0.04 0.00 0.02 0.00 0.00 54.13 53.57 1yae s LEU 512 Cb 0.06 -0.28 0.09 0.00 0.02 0.00 0.00 46.19 46.08 1yae s LEU 512 CO 0.78 -0.08 0.03 0.00 0.02 0.00 0.00 176.35 177.10 1yae s ALA 513 N -0.91 2.85 -0.50 4.21 0.00 0.45 -1.17 121.76 126.70 1yae s ALA 513 Ca -0.04 -2.41 -0.13 0.00 0.00 0.00 0.00 51.96 49.38 1yae s ALA 513 Cb -0.07 -1.91 0.11 0.00 0.00 0.00 0.00 23.12 21.25 1yae s ALA 513 CO 0.00 -1.61 0.41 0.08 0.00 0.00 0.00 175.76 174.64 1yae s VAL 514 N 0.94 4.77 0.18 0.00 1.01 -1.00 -1.41 120.40 124.88 1yae s VAL 514 Ca 0.08 -1.53 -0.24 0.00 0.00 0.00 0.00 61.98 60.29 1yae s VAL 514 Cb -0.19 -4.04 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1yae s VAL 514 CO -0.07 -0.76 0.83 0.00 0.00 0.00 0.00 175.10 175.09 1yae s ALA 515 N 1.51 -1.51 -0.13 5.51 0.00 -1.26 -4.61 121.76 121.26 1yae s ALA 515 Ca 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 1yae s ALA 515 Cb -0.27 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1yae s ALA 515 CO 0.02 -0.98 1.13 -0.35 0.00 0.00 0.00 175.76 175.58 1yae n PRO 516 N -0.43 0.39 -3.20 0.00 -0.04 -1.26 -4.73 135.00 125.73 1yae n PRO 516 Ca -0.07 -0.52 -0.41 0.00 -0.04 0.00 0.00 63.50 62.46 1yae n PRO 516 Cb 0.61 -1.92 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 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 4.31 0.16 1.53 0.20 -1.26 -5.04 118.68 118.59 1yae s LEU 517 Ca 0.09 0.04 -0.30 0.00 0.69 0.00 0.00 54.13 54.65 1yae s LEU 517 Cb 0.03 -2.65 -0.07 0.00 -0.43 0.00 0.00 46.19 43.06 1yae s LEU 517 CO -0.00 -0.51 1.18 0.00 -0.29 0.00 0.00 176.35 176.73 1yae s ALA 518 N 2.49 3.42 -0.45 5.97 0.00 -1.26 -3.18 121.76 128.75 1yae s ALA 518 Ca 0.21 0.91 -0.28 0.00 0.00 0.00 0.00 51.96 52.80 1yae s ALA 518 Cb -0.15 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1yae s ALA 518 CO 0.14 -0.36 1.69 0.42 0.00 0.00 0.00 175.76 177.65 1yae s ILE 519 N 0.15 3.57 0.07 0.00 1.01 -0.78 -4.93 121.20 120.29 1yae s ILE 519 Ca 0.53 0.52 0.08 0.00 0.00 0.00 0.00 60.65 61.79 1yae s ILE 519 Cb -0.31 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1yae s ILE 519 CO 0.35 -0.70 -0.18 -0.89 0.00 0.00 0.00 174.94 173.51 1yae s THR 520 N 7.05 2.78 0.15 2.92 2.01 -1.26 -4.89 115.64 124.41 1yae s THR 520 Ca 0.69 -1.33 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 1yae s THR 520 Cb -0.17 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.14 1yae s THR 520 CO 0.29 0.24 1.75 0.22 -0.69 0.00 0.00 174.62 176.43 1yae h TYR 521 N 4.20 0.22 -0.46 4.92 3.20 -1.99 0.15 116.97 127.21 1yae h TYR 521 Ca -0.49 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 1yae h TYR 521 Cb 1.16 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1yae h TYR 521 CO 0.56 0.09 0.22 0.28 -1.64 0.00 0.00 178.16 177.67 1yae h VAL 522 N 0.27 1.19 -0.70 1.81 2.07 -2.00 -2.55 116.25 116.34 1yae h VAL 522 Ca 0.16 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1yae h VAL 522 Cb 0.13 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1yae h VAL 522 CO -0.16 0.21 0.26 0.03 0.02 0.00 0.00 177.57 177.93 1yae h ARG 523 N 0.60 1.04 0.00 1.57 3.08 -1.87 -2.78 114.38 116.03 1yae h ARG 523 Ca 0.16 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1yae h ARG 523 Cb 0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1yae h ARG 523 CO -0.02 0.86 -0.21 1.49 -1.07 0.00 0.00 179.97 181.01 1yae h GLU 524 N 1.01 0.00 0.00 0.04 4.57 -0.31 -1.91 114.58 117.99 1yae h GLU 524 Ca 0.23 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1yae h GLU 524 Cb 0.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1yae h GLU 524 CO -0.02 0.21 -0.06 0.87 -1.18 0.00 0.00 179.01 178.84 1yae h LYS 525 N 0.00 0.00 0.00 1.92 1.57 -1.17 -3.23 116.57 115.66 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 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1yae h LYS 525 CO 0.03 0.06 -0.54 1.33 -0.57 0.00 0.00 179.45 179.75 1yae n VAL 526 N -4.03 0.00 -4.04 0.50 0.24 -1.02 -5.04 118.33 104.94 1yae n VAL 526 Ca -0.03 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 61.89 1yae n VAL 526 Cb 0.15 0.76 -0.11 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.64 0.36 0.05 1.34 1.09 -0.75 -4.00 121.20 117.65 1yae s ILE 527 Ca 0.00 -1.17 -0.20 0.00 -1.10 0.00 0.00 60.65 58.19 1yae s ILE 527 Cb 0.02 -0.66 -0.06 0.00 -1.06 0.00 0.00 42.46 40.69 1yae s ILE 527 CO 0.11 -0.53 0.59 -1.81 -0.10 0.00 0.00 174.94 173.19 1yae s ASP 528 N -1.80 7.04 0.04 3.58 1.11 0.17 -4.31 116.67 122.51 1yae s ASP 528 Ca -0.09 1.24 0.07 0.00 0.18 0.00 0.00 52.55 53.95 1yae s ASP 528 Cb -0.07 -2.37 -0.03 0.00 1.07 0.00 0.00 42.92 41.52 1yae s ASP 528 CO -0.02 0.21 -0.17 -0.36 1.18 0.00 0.00 175.17 176.02 1yae s PHE 529 N -0.77 2.59 1.02 4.23 0.08 -1.26 -0.96 117.98 122.91 1yae s PHE 529 Ca 0.30 -0.23 -0.14 0.00 0.12 0.00 0.00 56.93 56.97 1yae s PHE 529 Cb -0.19 -1.48 0.20 0.00 -0.57 0.00 0.00 43.02 40.98 1yae s PHE 529 CO 0.19 0.27 1.13 -1.54 -0.10 0.00 0.00 175.22 175.16 1yae s SER 530 N -1.44 2.53 0.58 1.36 1.04 -0.42 -4.97 113.70 112.38 1yae s SER 530 Ca 0.15 0.91 -0.17 0.00 0.48 0.00 0.00 55.95 57.32 1yae s SER 530 Cb -0.11 -1.40 -0.04 0.00 0.10 0.00 0.00 66.02 64.57 1yae s SER 530 CO 0.06 -3.16 1.08 -0.54 0.98 0.00 0.00 173.24 171.66 1yae s LYS 531 N -5.24 3.29 0.34 4.02 1.02 -1.26 -4.51 119.74 117.40 1yae s LYS 531 Ca 0.67 1.36 -0.28 0.00 0.02 0.00 0.00 55.97 57.74 1yae s LYS 531 Cb -0.14 -2.02 -0.13 0.00 -0.52 0.00 0.00 37.83 35.02 1yae s LYS 531 CO 0.55 -0.85 1.17 -2.30 -0.92 0.00 0.00 175.35 173.01 1yae n PRO 532 N -1.78 1.80 -0.00 -1.68 -0.02 -1.25 -4.56 135.00 127.50 1yae n PRO 532 Ca 0.10 0.63 0.10 0.00 -2.02 0.00 0.00 63.50 62.31 1yae n PRO 532 Cb 0.52 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.20 0.01 -3.79 6.00 -1.74 -0.47 -4.92 117.46 112.74 1yae n PHE 533 Ca 0.07 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.83 1yae n PHE 533 Cb 0.35 -0.11 -0.11 0.00 1.52 0.00 0.00 39.48 41.12 1yae n PHE 533 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 1yae s MET 534 N -3.11 0.31 0.02 3.97 -1.94 -1.24 -5.03 119.30 112.27 1yae s MET 534 Ca 0.05 0.29 0.03 0.00 -1.71 0.00 0.00 55.69 54.35 1yae s MET 534 Cb 0.16 0.15 -0.04 0.00 2.01 0.00 0.00 34.83 37.11 1yae s MET 534 CO 0.87 -0.04 -0.03 0.95 -0.01 0.00 0.00 175.02 176.76 1yae s THR 535 N 0.01 3.87 0.00 2.05 -4.23 -1.26 -1.02 115.64 115.06 1yae s THR 535 Ca -0.01 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1yae s THR 535 Cb -0.02 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1yae s THR 535 CO 0.01 0.32 0.00 0.00 -0.54 0.00 0.00 174.62 174.41 1yae n LEU 536 N 1.27 0.00 -3.63 4.79 -0.00 -1.26 -4.80 117.00 113.37 1yae n LEU 536 Ca -0.14 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 0.33 0.00 0.89 -0.83 -0.00 0.00 0.00 177.39 177.78 1yae s GLY 537 N -0.84 -0.35 0.34 1.47 0.00 -1.26 -1.31 107.32 105.38 1yae s GLY 537 Ca 0.00 0.80 -0.28 0.00 0.00 0.00 0.00 44.72 45.24 1yae s GLY 537 CO 0.00 0.22 1.29 -0.42 0.00 0.00 0.00 173.10 174.19 1yae s ILE 538 N -2.78 2.77 0.05 0.90 1.01 -1.26 -0.15 121.20 121.74 1yae s ILE 538 Ca 0.11 0.76 -0.00 0.00 0.00 0.00 0.00 60.65 61.51 1yae s ILE 538 Cb 0.01 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1yae s ILE 538 CO -0.03 0.17 0.08 -0.24 0.00 0.00 0.00 174.94 174.91 1yae n SER 539 N 0.70 -0.22 -4.42 3.58 2.88 -0.25 -0.26 113.62 115.62 1yae n SER 539 Ca 0.01 -1.29 -0.34 0.00 -1.33 0.00 0.00 58.87 55.92 1yae n SER 539 Cb 0.42 0.41 -0.13 0.00 -0.75 0.00 0.00 64.21 64.16 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 -2.51 3.48 -0.16 2.46 1.09 -1.25 -1.90 121.20 122.41 1yae s ILE 540 Ca 0.04 -0.50 -0.02 0.00 -1.10 0.00 0.00 60.65 59.08 1yae s ILE 540 Cb -0.00 -2.51 -0.01 0.00 -1.06 0.00 0.00 42.46 38.87 1yae s ILE 540 CO 0.03 0.50 -0.09 -0.22 -0.10 0.00 0.00 174.94 175.05 1yae s LEU 541 N 0.52 2.84 0.30 2.97 1.98 0.06 -1.15 118.68 126.21 1yae s LEU 541 Ca -0.05 -0.32 -0.16 0.00 -2.89 0.00 0.00 54.13 50.71 1yae s LEU 541 Cb -0.15 -1.67 0.02 0.00 0.66 0.00 0.00 46.19 45.05 1yae s LEU 541 CO 0.03 0.11 0.64 -0.47 -1.89 0.00 0.00 176.35 174.77 1yae s TYR 542 N 0.70 0.16 0.12 5.38 5.04 -0.04 -1.51 117.35 127.19 1yae s TYR 542 Ca -0.05 -0.61 -0.31 0.00 -2.44 0.00 0.00 57.07 53.66 1yae s TYR 542 Cb -0.15 0.52 -0.08 0.00 0.35 0.00 0.00 41.96 42.60 1yae s TYR 542 CO 0.02 -1.23 1.33 0.50 -1.34 0.00 0.00 175.55 174.82 1yae s ARG 543 N -3.51 4.36 -0.13 4.97 6.06 -1.26 0.59 118.95 130.03 1yae s ARG 543 Ca 0.17 1.99 -0.29 0.00 -2.50 0.00 0.00 55.73 55.10 1yae s ARG 543 Cb -0.04 -3.26 -0.04 0.00 0.06 0.00 0.00 34.95 31.67 1yae s ARG 543 CO 0.10 -0.35 1.64 0.21 -2.50 0.00 0.00 175.30 174.39 1yae s LYS 544 N 0.86 3.99 0.00 5.12 2.20 -0.98 -4.79 119.74 126.13 1yae s LYS 544 Ca 0.62 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 1yae s LYS 544 Cb -0.35 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 31.96 1yae s LYS 544 CO 0.31 -1.06 0.00 -2.30 -0.36 0.00 0.00 175.35 171.94 1yae n PRO 545 N 7.37 0.00 -0.07 4.03 -0.02 -1.26 -5.06 135.00 139.99 1yae n PRO 545 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1yae n PRO 545 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 1yae n PRO 545 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1yae n ILE 668 N 0.00 0.00 0.00 4.25 -5.35 -1.26 -5.27 119.36 111.73 1yae n ILE 668 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1yae n ILE 668 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1yae n ILE 668 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1yae n ASP 669 N 0.00 4.60 -5.02 7.28 2.03 -1.26 -4.96 116.55 119.22 1yae n ASP 669 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 1yae n ASP 669 Cb 0.00 0.39 0.04 0.00 -0.72 0.00 0.00 41.12 40.83 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 -3.10 5.32 0.00 1.67 0.15 -1.26 -3.12 113.70 113.36 1yae s SER 670 Ca 0.00 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1yae s SER 670 Cb 0.00 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1yae s SER 670 CO 0.00 -1.10 0.37 0.00 1.20 0.00 0.00 173.24 173.70 1yae n ALA 671 N -2.08 -0.14 -0.34 5.45 0.00 -1.26 -3.36 120.51 118.79 1yae n ALA 671 Ca 0.12 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.74 1yae n ALA 671 Cb 0.61 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.44 1yae n ALA 671 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1yae h ASP 672 N 0.00 0.61 0.08 0.00 3.04 -1.95 0.17 116.42 118.37 1yae h ASP 672 Ca 0.00 0.14 -0.00 0.00 -3.24 0.00 0.00 57.03 53.93 1yae h ASP 672 Cb 0.00 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.35 1yae h ASP 672 CO 0.00 0.07 -0.04 -2.24 -2.04 0.00 0.00 179.24 174.99 1yae h ASP 673 N 0.54 -0.09 -0.01 4.15 3.04 -1.97 -1.73 116.42 120.35 1yae h ASP 673 Ca 0.64 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 54.24 1yae h ASP 673 Cb 1.24 0.02 -0.00 0.00 -1.04 0.00 0.00 39.33 39.55 1yae h ASP 673 CO -0.49 0.14 0.01 0.25 -2.04 0.00 0.00 179.24 177.11 1yae h LEU 674 N -0.33 0.00 -0.20 0.15 7.12 -1.36 -1.88 115.31 118.82 1yae h LEU 674 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1yae h LEU 674 Cb 0.28 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1yae h LEU 674 CO 0.02 0.00 -0.09 0.00 -0.13 0.00 0.00 178.44 178.24 1yae n ALA 675 N -2.32 2.72 -0.04 1.25 0.00 0.51 -2.68 120.51 119.95 1yae n ALA 675 Ca -0.03 -0.25 0.10 0.00 0.00 0.00 0.00 53.44 53.26 1yae n ALA 675 Cb 0.10 -1.36 0.22 0.00 0.00 0.00 0.00 19.45 18.40 1yae n ALA 675 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1yae n LYS 676 N -0.99 2.51 -3.31 0.00 5.02 -0.71 -4.89 118.16 115.79 1yae n LYS 676 Ca 0.15 -2.25 -0.43 0.00 -2.02 0.00 0.00 58.31 53.76 1yae n LYS 676 Cb 0.27 -1.44 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 1yae n LYS 676 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1yae s GLN 677 N -1.14 3.08 0.55 1.97 -0.21 -1.09 -4.96 119.66 117.85 1yae s GLN 677 Ca 0.35 -0.88 0.23 0.00 0.02 0.00 0.00 55.36 55.08 1yae s GLN 677 Cb 0.19 -4.02 1.51 0.00 1.00 0.00 0.00 33.01 31.70 1yae s GLN 677 CO 0.26 -0.94 2.16 0.00 -2.12 0.00 0.00 175.29 174.65 1yae h THR 678 N 5.75 0.75 0.00 -0.19 1.03 -1.90 -3.32 112.91 115.03 1yae h THR 678 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1yae h THR 678 Cb 1.11 0.95 0.00 0.00 -1.07 0.00 0.00 68.15 69.14 1yae h THR 678 CO 0.83 0.00 0.00 1.17 -0.01 0.00 0.00 175.52 177.51 1yae n LYS 679 N -4.21 0.00 -1.67 0.00 4.81 -1.26 -4.73 118.16 111.09 1yae n LYS 679 Ca -0.01 0.27 -0.43 0.00 -0.87 0.00 0.00 58.31 57.27 1yae n LYS 679 Cb 0.17 -0.88 -0.03 0.00 0.02 0.00 0.00 35.03 34.31 1yae n LYS 679 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1yae s ILE 680 N -0.88 3.08 0.50 3.15 1.01 -1.25 -4.93 121.20 121.88 1yae s ILE 680 Ca 0.00 0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.53 1yae s ILE 680 Cb 0.00 -3.10 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 1yae s ILE 680 CO 0.00 -0.06 1.07 -1.61 0.00 0.00 0.00 174.94 174.35 1yae s GLU 681 N 5.94 3.67 0.00 2.79 2.02 -1.05 -4.85 118.70 127.23 1yae s GLU 681 Ca 0.96 1.47 -0.07 0.00 0.02 0.00 0.00 54.97 57.34 1yae s GLU 681 Cb -0.33 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1yae s GLU 681 CO 0.36 -0.56 0.14 1.52 0.02 0.00 0.00 175.26 176.74 1yae s TYR 682 N -1.87 0.04 0.21 1.61 -0.85 -1.26 -0.29 117.35 114.94 1yae s TYR 682 Ca 0.68 -0.12 -0.11 0.00 -0.52 0.00 0.00 57.07 57.00 1yae s TYR 682 Cb -0.20 -0.04 0.04 0.00 0.38 0.00 0.00 41.96 42.14 1yae s TYR 682 CO 0.23 -0.29 0.56 0.41 -1.52 0.00 0.00 175.55 174.95 1yae n GLY 683 N 1.47 1.18 3.32 5.49 0.00 -0.99 -4.82 105.19 110.85 1yae n GLY 683 Ca -0.23 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.69 2.00 -0.08 4.61 0.00 -1.26 -0.51 121.76 124.82 1yae s ALA 684 Ca 0.12 -1.86 -0.30 0.00 0.00 0.00 0.00 51.96 49.92 1yae s ALA 684 Cb -0.03 1.32 -0.04 0.00 0.00 0.00 0.00 23.12 24.37 1yae s ALA 684 CO 0.06 -0.59 1.47 0.08 0.00 0.00 0.00 175.76 176.78 1yae s VAL 685 N -3.49 3.84 0.00 0.00 1.01 -1.26 -1.41 120.40 119.10 1yae s VAL 685 Ca 0.37 1.07 -0.36 0.00 0.00 0.00 0.00 61.98 63.06 1yae s VAL 685 Cb 0.03 -3.69 -0.15 0.00 0.00 0.00 0.00 36.38 32.57 1yae s VAL 685 CO 0.23 -0.07 1.56 -0.62 0.00 0.00 0.00 175.10 176.20 1yae n GLU 686 N 6.55 1.53 -1.22 2.72 -0.58 -0.13 -2.10 120.64 127.40 1yae n GLU 686 Ca 0.15 0.56 -0.08 0.00 -0.42 0.00 0.00 57.16 57.37 1yae n GLU 686 Cb 0.44 -2.27 -0.03 0.00 -0.57 0.00 0.00 31.44 29.01 1yae n GLU 686 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1yae n ASP 687 N 3.91 -5.03 -4.91 1.62 8.00 -1.26 -5.00 116.55 113.88 1yae n ASP 687 Ca 0.20 0.19 -0.23 0.00 0.71 0.00 0.00 54.79 55.67 1yae n ASP 687 Cb 0.22 -3.21 0.06 0.00 -0.02 0.00 0.00 41.12 38.16 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 -2.42 1.79 0.33 0.44 0.00 -0.89 -4.77 107.32 101.79 1yae s GLY 688 Ca 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.46 1yae s GLY 688 CO 0.00 -0.93 1.93 0.00 0.00 0.00 0.00 173.10 174.10 1yae h ALA 689 N -0.19 1.60 0.18 3.20 0.00 -1.94 0.36 119.26 122.47 1yae h ALA 689 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1yae h ALA 689 Cb 1.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1yae h ALA 689 CO 0.52 0.27 -0.18 1.15 0.00 0.00 0.00 179.25 181.01 1yae h THR 690 N 0.90 0.61 0.26 0.00 2.02 -1.93 -1.01 112.91 113.75 1yae h THR 690 Ca 0.36 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 1yae h THR 690 Cb 0.25 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1yae h THR 690 CO -0.13 0.00 -0.12 -0.03 0.37 0.00 0.00 175.52 175.61 1yae h MET 691 N -0.39 -0.33 -1.04 6.66 -1.53 -1.60 -2.81 114.93 113.90 1yae h MET 691 Ca 0.00 0.02 0.28 0.00 -3.44 0.00 0.00 59.70 56.56 1yae h MET 691 Cb 0.37 0.08 -0.07 0.00 -0.55 0.00 0.00 31.60 31.42 1yae h MET 691 CO -0.05 -0.20 0.70 1.15 0.14 0.00 0.00 176.91 178.66 1yae h THR 692 N -0.38 0.51 -0.02 -0.77 2.02 -0.85 -0.34 112.91 113.09 1yae h THR 692 Ca -0.04 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1yae h THR 692 Cb 0.29 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1yae h THR 692 CO 0.06 0.04 -0.01 0.15 0.37 0.00 0.00 175.52 176.13 1yae h PHE 693 N 0.23 -0.03 0.10 3.16 3.57 -0.90 -2.66 116.94 120.40 1yae h PHE 693 Ca 0.55 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.04 1yae h PHE 693 Cb 1.70 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.46 1yae h PHE 693 CO -0.00 -0.02 -0.05 0.74 -2.23 0.00 0.00 178.31 176.75 1yae h PHE 694 N -0.02 -0.12 -0.99 0.41 0.04 -1.14 -0.30 116.94 114.83 1yae h PHE 694 Ca 0.01 -0.00 0.28 0.00 2.80 0.00 0.00 57.97 61.06 1yae h PHE 694 Cb 0.04 0.04 -0.14 0.00 2.20 0.00 0.00 35.95 38.09 1yae h PHE 694 CO -0.10 0.28 0.54 -0.22 -0.60 0.00 0.00 178.31 178.21 1yae h LYS 695 N -0.56 0.40 0.00 1.51 3.64 -1.25 -2.85 116.57 117.47 1yae h LYS 695 Ca -0.01 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.12 1yae h LYS 695 Cb 0.46 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1yae h LYS 695 CO 0.02 0.27 -1.30 1.17 -2.27 0.00 0.00 179.45 177.34 1yae n LYS 696 N -5.00 0.55 -1.67 1.90 3.00 -1.00 -5.00 118.16 110.93 1yae n LYS 696 Ca 0.29 0.53 -0.65 0.00 -0.00 0.00 0.00 58.31 58.47 1yae n LYS 696 Cb 0.85 -1.71 -0.10 0.00 0.00 0.00 0.00 35.03 34.08 1yae n LYS 696 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1yae n SER 697 N -4.44 1.30 -2.02 3.14 2.88 -0.12 -4.87 113.62 109.49 1yae n SER 697 Ca -0.31 1.09 -0.22 0.00 -1.33 0.00 0.00 58.87 58.10 1yae n SER 697 Cb 0.65 -0.92 0.07 0.00 -0.75 0.00 0.00 64.21 63.26 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 4.71 2.09 -3.32 -1.46 2.85 -1.26 -4.00 118.16 117.77 1yae n LYS 698 Ca 0.34 -2.21 -0.29 0.00 -1.05 0.00 0.00 58.31 55.10 1yae n LYS 698 Cb -0.03 -1.87 -0.03 0.00 -0.65 0.00 0.00 35.03 32.45 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 -3.08 5.00 0.14 0.58 1.01 -1.26 -5.02 121.20 118.58 1yae s ILE 699 Ca 0.43 0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.91 1yae s ILE 699 Cb 0.34 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.99 1yae s ILE 699 CO 0.01 -0.30 1.76 -0.55 0.00 0.00 0.00 174.94 175.87 1yae s SER 700 N -3.05 6.44 -0.87 3.58 0.15 -1.26 -3.07 113.70 115.62 1yae s SER 700 Ca 0.45 2.75 0.00 0.00 0.70 0.00 0.00 55.95 59.85 1yae s SER 700 Cb -0.11 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1yae s SER 700 CO 0.29 -0.97 0.00 0.35 1.20 0.00 0.00 173.24 174.11 1yae n THR 701 N 4.48 0.00 -0.03 6.45 -2.24 -1.26 -4.80 114.28 116.87 1yae n THR 701 Ca 0.17 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.90 1yae n THR 701 Cb 0.38 -1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 67.47 1yae n THR 701 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1yae n TYR 702 N -2.59 0.00 0.20 4.78 4.01 -1.18 -4.15 117.16 118.23 1yae n TYR 702 Ca -0.08 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.72 1yae n TYR 702 Cb 0.35 -0.28 0.39 0.00 -0.31 0.00 0.00 39.34 39.49 1yae n TYR 702 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1yae h ASP 703 N 0.00 0.00 -0.03 7.72 3.58 -1.68 -1.73 116.42 124.28 1yae h ASP 703 Ca -0.16 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.32 1yae h ASP 703 Cb 1.29 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.28 1yae h ASP 703 CO -0.02 0.33 -0.44 0.50 -2.88 0.00 0.00 179.24 176.73 1yae h LYS 704 N 0.00 -0.56 -0.36 0.28 1.63 -1.84 -1.83 116.57 113.90 1yae h LYS 704 Ca -0.00 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 1yae h LYS 704 Cb 0.81 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 1yae h LYS 704 CO 0.04 -0.37 -0.07 0.52 -3.45 0.00 0.00 179.45 176.12 1yae h MET 705 N -0.58 0.60 -0.55 1.90 2.86 -1.63 -2.61 114.93 114.93 1yae h MET 705 Ca 0.05 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1yae h MET 705 Cb 0.66 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1yae h MET 705 CO -0.34 0.67 -0.10 2.35 1.06 0.00 0.00 176.91 180.55 1yae h TRP 706 N 0.56 1.14 -0.51 -0.22 -0.00 -1.23 -2.00 115.95 113.68 1yae h TRP 706 Ca 0.11 -0.23 0.03 0.00 -0.00 0.00 0.00 58.89 58.80 1yae h TRP 706 Cb 0.47 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.16 29.30 1yae h TRP 706 CO 0.02 1.05 0.28 0.00 -0.00 0.00 0.00 178.44 179.79 1yae h ALA 707 N 0.97 0.65 -0.00 2.65 0.00 -0.97 0.25 119.26 122.81 1yae h ALA 707 Ca 0.14 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1yae h ALA 707 Cb 0.66 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1yae h ALA 707 CO 0.05 -0.04 -0.42 0.35 0.00 0.00 0.00 179.25 179.19 1yae h PHE 708 N 0.56 -1.24 0.00 0.00 3.04 -1.16 -1.56 116.94 116.57 1yae h PHE 708 Ca 0.21 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 62.11 1yae h PHE 708 Cb 0.08 0.54 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 1yae h PHE 708 CO -0.08 -0.45 -0.45 0.00 -2.02 0.00 0.00 178.31 175.30 1yae h MET 709 N -0.53 0.00 0.13 1.11 -0.00 -1.20 -2.73 114.93 111.71 1yae h MET 709 Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.72 1yae h MET 709 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.14 1yae h MET 709 CO -0.28 0.45 -0.17 0.77 -0.00 0.00 0.00 176.91 177.68 1yae h SER 710 N 0.00 -0.48 0.17 -0.10 0.02 -0.37 -1.18 113.55 111.61 1yae h SER 710 Ca -0.00 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1yae h SER 710 Cb 1.02 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 1yae h SER 710 CO 0.06 -0.26 -0.13 -1.28 -1.14 0.00 0.00 176.83 174.08 1yae h SER 711 N -0.35 0.00 -0.95 3.07 0.87 -1.15 -2.72 113.55 112.32 1yae h SER 711 Ca 0.02 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.98 1yae h SER 711 Cb 0.36 0.00 -0.38 0.00 -0.44 0.00 0.00 62.40 61.93 1yae h SER 711 CO -0.08 0.13 -0.26 0.54 -0.53 0.00 0.00 176.83 176.64 1yae n ARG 712 N -4.21 3.31 -0.33 2.24 1.74 -1.02 -4.89 116.66 113.49 1yae n ARG 712 Ca -0.02 -3.93 -0.08 0.00 -0.77 0.00 0.00 57.85 53.04 1yae n ARG 712 Cb 0.21 -2.28 -0.05 0.00 -1.02 0.00 0.00 32.46 29.32 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 2.20 -0.10 0.00 5.56 2.43 -0.89 -1.15 114.38 122.43 1yae h ARG 713 Ca 0.44 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1yae h ARG 713 Cb 1.21 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1yae h ARG 713 CO 1.03 -0.07 0.00 1.96 -1.51 0.00 0.00 179.97 181.39 1yae h GLN 714 N -0.10 0.00 0.00 0.20 7.50 -1.89 -2.36 115.11 118.47 1yae h GLN 714 Ca 0.20 0.00 -0.30 0.00 0.50 0.00 0.00 58.65 59.05 1yae h GLN 714 Cb 0.51 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.99 1yae h GLN 714 CO -0.85 0.00 -2.02 -1.13 -1.50 0.00 0.00 178.83 173.33 1yae n SER 715 N -2.65 0.41 -0.10 1.46 3.41 -0.99 -4.71 113.62 110.45 1yae n SER 715 Ca 0.04 0.19 -0.16 0.00 -0.26 0.00 0.00 58.87 58.68 1yae n SER 715 Cb 0.45 0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 64.89 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 -2.84 1.19 -2.36 -3.33 0.31 -0.47 -4.96 118.33 105.87 1yae n VAL 716 Ca -0.23 -0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 63.25 1yae n VAL 716 Cb 1.05 -1.33 -0.03 0.00 -0.91 0.00 0.00 33.84 32.62 1yae n VAL 716 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1yae s LEU 717 N -6.39 4.38 0.39 7.52 1.43 -0.89 -4.36 118.68 120.77 1yae s LEU 717 Ca -0.28 2.12 0.08 0.00 -1.03 0.00 0.00 54.13 55.01 1yae s LEU 717 Cb 0.08 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 1yae s LEU 717 CO 0.46 -0.50 0.45 0.54 0.23 0.00 0.00 176.35 177.54 1yae s VAL 718 N 0.91 3.12 -0.44 -1.59 0.11 -0.50 -4.85 120.40 117.16 1yae s VAL 718 Ca 0.59 -1.16 0.20 0.00 -2.93 0.00 0.00 61.98 58.67 1yae s VAL 718 Cb -0.32 -3.08 -0.26 0.00 -1.53 0.00 0.00 36.38 31.19 1yae s VAL 718 CO 0.30 -0.05 0.62 0.29 -3.33 0.00 0.00 175.10 172.94 1yae n LYS 719 N -1.65 0.60 -3.58 1.54 4.01 -1.26 -0.96 118.16 116.86 1yae n LYS 719 Ca 0.04 -0.10 -0.10 0.00 -0.51 0.00 0.00 58.31 57.64 1yae n LYS 719 Cb 0.60 -1.45 -0.02 0.00 -0.51 0.00 0.00 35.03 33.65 1yae n LYS 719 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1yae s SER 720 N -3.62 -0.44 0.13 4.39 1.04 -1.26 -4.83 113.70 109.11 1yae s SER 720 Ca -0.00 -0.22 -0.20 0.00 0.48 0.00 0.00 55.95 56.00 1yae s SER 720 Cb 0.14 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.85 1yae s SER 720 CO 0.82 -1.08 1.70 -1.13 0.98 0.00 0.00 173.24 174.53 1yae h ASN 721 N 2.03 -0.20 -0.98 7.02 -0.73 -1.99 -1.55 115.58 119.18 1yae h ASN 721 Ca -0.29 0.06 0.01 0.00 1.87 0.00 0.00 56.30 57.94 1yae h ASN 721 Cb 1.29 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.95 1yae h ASN 721 CO 0.34 -0.07 0.65 -0.33 -0.37 0.00 0.00 177.43 177.64 1yae h GLU 722 N -0.02 1.29 -0.62 6.67 4.39 -1.99 -0.15 114.58 124.14 1yae h GLU 722 Ca 0.09 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1yae h GLU 722 Cb 0.15 -0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1yae h GLU 722 CO -0.20 0.85 0.26 1.49 -1.16 0.00 0.00 179.01 180.25 1yae h GLU 723 N 1.32 0.92 0.13 2.33 4.81 -1.89 -1.42 114.58 120.79 1yae h GLU 723 Ca 0.36 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1yae h GLU 723 Cb -0.15 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.08 1yae h GLU 723 CO -0.08 0.77 -0.06 0.78 -0.73 0.00 0.00 179.01 179.70 1yae h GLY 724 N 0.87 -0.18 0.31 1.92 0.00 -0.40 -1.01 103.07 104.58 1yae h GLY 724 Ca 0.21 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.65 1yae h GLY 724 CO -0.02 -0.06 -0.26 -2.22 0.00 0.00 0.00 176.54 173.97 1yae h ILE 725 N -0.21 0.39 0.00 2.60 2.04 -0.89 -0.63 117.51 120.81 1yae h ILE 725 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1yae h ILE 725 Cb 0.16 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1yae h ILE 725 CO 0.03 0.00 0.00 0.06 0.00 0.00 0.00 178.15 178.24 1yae h GLN 726 N -0.36 0.00 0.00 2.37 -0.00 -1.25 -1.56 115.11 114.31 1yae h GLN 726 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 1yae h GLN 726 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.96 1yae h GLN 726 CO -0.29 0.00 0.00 -0.09 -0.00 0.00 0.00 178.83 178.45 1yae h ARG 727 N 0.00 0.00 0.07 0.06 2.43 -0.26 -0.70 114.38 115.99 1yae h ARG 727 Ca 0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1yae h ARG 727 Cb 0.68 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1yae h ARG 727 CO 0.00 0.00 -0.52 0.28 -1.51 0.00 0.00 179.97 178.22 1yae h VAL 728 N 0.00 1.57 0.00 0.20 2.07 -0.21 -2.66 116.25 117.22 1yae h VAL 728 Ca 0.00 -2.36 -0.05 0.00 0.82 0.00 0.00 66.70 65.12 1yae h VAL 728 Cb 0.72 3.11 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 1yae h VAL 728 CO 0.00 0.65 -0.22 -0.07 0.02 0.00 0.00 177.57 177.96 1yae h LEU 729 N -0.50 0.00 0.04 2.57 3.38 -1.26 -3.32 115.31 116.22 1yae h LEU 729 Ca -0.09 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.51 1yae h LEU 729 Cb 1.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 1yae h LEU 729 CO 0.10 0.22 -2.28 1.07 0.09 0.00 0.00 178.44 177.63 1yae n THR 730 N -4.21 1.58 -3.23 0.22 5.66 -0.28 -5.01 114.28 109.02 1yae n THR 730 Ca -0.02 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.34 1yae n THR 730 Cb 0.28 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.64 1yae n THR 730 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1yae n SER 731 N -3.28 1.08 -4.18 1.09 2.88 -1.00 -5.07 113.62 105.13 1yae n SER 731 Ca -0.39 -0.69 -0.40 0.00 -1.33 0.00 0.00 58.87 56.06 1yae n SER 731 Cb 1.03 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.42 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 -0.67 5.95 -0.03 -3.46 2.15 -1.26 -4.78 116.67 114.57 1yae s ASP 732 Ca 0.00 -3.03 -0.01 0.00 0.43 0.00 0.00 52.55 49.95 1yae s ASP 732 Cb 0.00 -1.99 0.03 0.00 -0.30 0.00 0.00 42.92 40.66 1yae s ASP 732 CO 0.00 -0.39 0.05 -0.47 -0.17 0.00 0.00 175.17 174.19 1yae s TYR 733 N -0.33 0.00 -0.27 -5.34 5.04 -1.26 -2.51 117.35 112.68 1yae s TYR 733 Ca 0.20 0.20 -0.12 0.00 -2.44 0.00 0.00 57.07 54.91 1yae s TYR 733 Cb -0.14 -0.23 -0.05 0.00 0.35 0.00 0.00 41.96 41.89 1yae s TYR 733 CO -0.07 -0.11 0.24 0.00 -1.34 0.00 0.00 175.55 174.27 1yae s ALA 734 N 1.18 3.55 -0.26 3.97 0.00 0.61 -4.58 121.76 126.22 1yae s ALA 734 Ca -0.08 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 1yae s ALA 734 Cb -0.13 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 1yae s ALA 734 CO -0.03 -0.54 0.25 0.12 0.00 0.00 0.00 175.76 175.56 1yae s PHE 735 N 1.77 3.26 -0.85 0.00 5.36 -0.57 -2.33 117.98 124.61 1yae s PHE 735 Ca 0.09 0.26 -0.24 0.00 -0.96 0.00 0.00 56.93 56.08 1yae s PHE 735 Cb -0.16 -2.42 0.05 0.00 -0.34 0.00 0.00 43.02 40.15 1yae s PHE 735 CO 0.10 -0.12 1.30 -0.51 -1.46 0.00 0.00 175.22 174.52 1yae s LEU 736 N 1.67 3.58 0.20 6.12 1.43 0.33 -0.76 118.68 131.25 1yae s LEU 736 Ca 0.10 -1.02 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 1yae s LEU 736 Cb -0.15 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 1yae s LEU 736 CO 0.09 -1.61 -0.03 0.00 0.23 0.00 0.00 176.35 175.04 1yae s MET 737 N 5.02 1.22 0.03 1.70 0.23 -0.80 -4.46 119.30 122.23 1yae s MET 737 Ca 0.37 -1.59 -0.30 0.00 -1.03 0.00 0.00 55.69 53.14 1yae s MET 737 Cb -0.06 -0.55 -0.06 0.00 -1.53 0.00 0.00 34.83 32.64 1yae s MET 737 CO 0.03 -0.06 1.38 -1.21 -2.03 0.00 0.00 175.02 173.13 1yae s GLU 738 N -3.84 4.30 0.30 3.16 2.02 -1.26 -1.09 118.70 122.29 1yae s GLU 738 Ca 0.24 1.97 0.04 0.00 0.02 0.00 0.00 54.97 57.25 1yae s GLU 738 Cb 0.05 -3.49 0.80 0.00 0.10 0.00 0.00 34.13 31.59 1yae s GLU 738 CO 0.06 -0.52 1.62 0.66 0.02 0.00 0.00 175.26 177.10 1yae h SER 739 N 7.55 -0.06 -0.60 -0.19 4.64 -0.85 0.17 113.55 124.20 1yae h SER 739 Ca -0.39 0.22 0.11 0.00 -0.47 0.00 0.00 61.79 61.26 1yae h SER 739 Cb 1.19 0.31 -0.08 0.00 -0.31 0.00 0.00 62.40 63.51 1yae h SER 739 CO 0.89 -0.23 0.17 0.00 -0.87 0.00 0.00 176.83 176.78 1yae h THR 740 N 0.14 0.69 0.00 2.95 1.03 -1.90 0.53 112.91 116.35 1yae h THR 740 Ca 0.60 -0.11 -0.15 0.00 -0.01 0.00 0.00 66.41 66.74 1yae h THR 740 Cb 1.28 0.35 -0.02 0.00 -1.07 0.00 0.00 68.15 68.68 1yae h THR 740 CO -0.73 0.06 -0.71 0.71 -0.01 0.00 0.00 175.52 174.83 1yae h THR 741 N 0.31 1.30 0.48 0.00 1.35 -1.09 -3.21 112.91 112.07 1yae h THR 741 Ca 0.31 -2.64 -0.02 0.00 -0.55 0.00 0.00 66.41 63.51 1yae h THR 741 Cb 0.44 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1yae h THR 741 CO -0.37 0.70 -0.24 0.40 -0.25 0.00 0.00 175.52 175.76 1yae h ILE 742 N 0.00 0.50 -0.64 6.82 2.04 -0.44 -2.55 117.51 123.24 1yae h ILE 742 Ca -0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 1yae h ILE 742 Cb 1.45 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1yae h ILE 742 CO 0.09 0.00 0.55 -0.08 0.00 0.00 0.00 178.15 178.72 1yae h GLU 743 N -0.67 0.00 0.02 2.37 4.81 -0.98 0.13 114.58 120.26 1yae h GLU 743 Ca -0.06 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1yae h GLU 743 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1yae h GLU 743 CO 0.10 0.00 -0.14 0.35 -0.73 0.00 0.00 179.01 178.59 1yae h PHE 744 N 0.00 0.11 -0.57 0.92 3.57 -1.49 -3.30 116.94 116.19 1yae h PHE 744 Ca 0.30 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 1yae h PHE 744 Cb 1.41 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.11 1yae h PHE 744 CO 0.00 0.98 0.15 -0.24 -2.23 0.00 0.00 178.31 176.97 1yae h VAL 745 N -0.79 1.23 -0.82 1.41 3.04 -0.91 -3.17 116.25 116.24 1yae h VAL 745 Ca -0.02 -0.82 0.04 0.00 -1.01 0.00 0.00 66.70 64.89 1yae h VAL 745 Cb 1.03 0.64 -0.05 0.00 -2.01 0.00 0.00 31.29 30.90 1yae h VAL 745 CO 0.03 0.31 0.52 0.74 -1.01 0.00 0.00 177.57 178.16 1yae h THR 746 N 0.84 1.11 -0.28 3.17 2.02 -0.91 0.63 112.91 119.49 1yae h THR 746 Ca 0.18 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1yae h THR 746 Cb 0.29 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1yae h THR 746 CO -0.00 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.07 1yae n GLN 747 N -4.59 1.95 0.00 6.66 6.02 -1.20 -3.77 117.38 122.46 1yae n GLN 747 Ca 0.10 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.96 1yae n GLN 747 Cb 0.10 -1.41 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 0.54 -1.01 0.00 0.00 177.06 176.59 1yae n ARG 748 N 0.33 2.12 -3.93 -1.09 1.74 -0.57 -4.43 116.66 110.83 1yae n ARG 748 Ca 0.10 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.90 1yae n ARG 748 Cb 0.37 -0.84 -0.17 0.00 -1.02 0.00 0.00 32.46 30.80 1yae n ARG 748 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1yae s ASN 749 N -1.62 2.45 0.00 0.55 3.84 0.11 -5.04 114.94 115.23 1yae s ASN 749 Ca 0.00 -0.43 0.21 0.00 0.21 0.00 0.00 52.86 52.86 1yae s ASN 749 Cb 0.00 -0.95 0.84 0.00 -0.55 0.00 0.00 41.25 40.60 1yae s ASN 749 CO 0.00 -0.12 1.60 0.00 -2.79 0.00 0.00 177.10 175.79 1yae n ASN 751 N 0.15 2.40 -4.67 0.00 5.03 -1.26 -4.93 115.26 111.98 1yae n ASN 751 Ca 0.16 -1.70 -0.35 0.00 0.87 0.00 0.00 54.58 53.56 1yae n ASN 751 Cb 0.30 0.26 -0.10 0.00 -1.02 0.00 0.00 39.78 39.22 1yae n ASN 751 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1yae s LEU 752 N -2.19 3.61 0.08 3.41 1.43 -1.22 -2.33 118.68 121.48 1yae s LEU 752 Ca 0.22 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1yae s LEU 752 Cb 0.18 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1yae s LEU 752 CO 0.43 0.33 -0.05 -0.89 0.23 0.00 0.00 176.35 176.40 1yae s THR 753 N -0.62 0.53 0.04 5.49 2.01 0.20 -4.75 115.64 118.54 1yae s THR 753 Ca 0.10 -1.84 -0.23 0.00 0.31 0.00 0.00 61.69 60.03 1yae s THR 753 Cb -0.12 -1.56 -0.06 0.00 0.01 0.00 0.00 72.50 70.77 1yae s THR 753 CO 0.02 -0.89 0.69 -1.58 -0.69 0.00 0.00 174.62 172.18 1yae s GLN 754 N -3.73 4.42 -0.15 4.92 0.74 -1.26 -0.86 119.66 123.75 1yae s GLN 754 Ca 0.09 0.93 -0.01 0.00 0.05 0.00 0.00 55.36 56.42 1yae s GLN 754 Cb 0.05 -3.34 -0.01 0.00 1.10 0.00 0.00 33.01 30.81 1yae s GLN 754 CO -0.06 0.36 -0.12 0.42 -0.55 0.00 0.00 175.29 175.35 1yae s ILE 755 N -0.26 3.10 0.00 -2.34 -1.09 -0.30 -4.98 121.20 115.33 1yae s ILE 755 Ca 0.35 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1yae s ILE 755 Cb -0.20 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1yae s ILE 755 CO 0.21 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 1yae n GLY 756 N 3.76 -2.25 0.00 6.18 0.00 -1.18 -3.74 105.19 107.95 1yae n GLY 756 Ca -0.18 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.59 1.75 3.85 -0.02 0.00 -1.26 -4.87 105.19 104.05 1yae n GLY 757 Ca 0.00 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 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 4.42 -0.00 0.99 1.43 -1.26 -4.59 118.68 119.67 1yae s LEU 758 Ca 0.00 0.86 0.22 0.00 -1.03 0.00 0.00 54.13 54.17 1yae s LEU 758 Cb 0.00 -2.69 -0.19 0.00 0.03 0.00 0.00 46.19 43.34 1yae s LEU 758 CO 0.00 0.28 0.84 -0.38 0.23 0.00 0.00 176.35 177.31 1yae n ILE 759 N 1.49 0.02 -3.76 -0.59 5.41 0.64 -4.95 119.36 117.61 1yae n ILE 759 Ca -0.12 -0.15 -0.05 0.00 1.00 0.00 0.00 62.75 63.42 1yae n ILE 759 Cb 0.53 0.62 0.02 0.00 -0.71 0.00 0.00 39.64 40.10 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 -1.75 -1.74 -4.26 4.38 5.68 -1.26 -4.88 116.55 112.73 1yae n ASP 760 Ca 0.02 -2.07 -0.34 0.00 -0.50 0.00 0.00 54.79 51.90 1yae n ASP 760 Cb 0.40 2.86 -0.15 0.00 -1.14 0.00 0.00 41.12 43.10 1yae n ASP 760 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1yae s SER 761 N -2.96 3.75 0.00 -1.12 0.15 -1.26 -4.20 113.70 108.05 1yae s SER 761 Ca 0.17 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1yae s SER 761 Cb -0.03 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1yae s SER 761 CO 0.07 0.05 0.00 1.17 1.20 0.00 0.00 173.24 175.73 1yae n LYS 762 N 4.30 0.00 -0.37 5.44 3.00 -0.42 -5.00 118.16 125.11 1yae n LYS 762 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 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 3.81 -3.65 3.88 3.14 0.00 -1.26 -4.65 105.19 106.46 1yae n GLY 763 Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.03 3.49 0.03 1.61 2.02 -0.19 -1.87 117.35 121.41 1yae s TYR 764 Ca 0.00 0.69 -0.10 0.00 -0.37 0.00 0.00 57.07 57.29 1yae s TYR 764 Cb 0.00 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 1yae s TYR 764 CO 0.00 0.42 0.20 0.20 -1.57 0.00 0.00 175.55 174.80 1yae s GLY 765 N -2.24 0.02 -0.19 0.71 0.00 -1.19 -1.37 107.32 103.05 1yae s GLY 765 Ca 0.40 -0.21 -0.29 0.00 0.00 0.00 0.00 44.72 44.63 1yae s GLY 765 CO 0.22 -0.38 2.03 0.14 0.00 0.00 0.00 173.10 175.11 1yae s VAL 766 N -2.32 3.17 0.49 1.40 1.01 -1.26 -4.70 120.40 118.19 1yae s VAL 766 Ca -0.07 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 1yae s VAL 766 Cb -0.02 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 1yae s VAL 766 CO -0.02 -0.11 1.08 -0.83 0.00 0.00 0.00 175.10 175.21 1yae s GLY 767 N 6.78 2.59 -0.18 4.51 0.00 -0.50 -1.30 107.32 119.22 1yae s GLY 767 Ca 0.91 0.71 -0.25 0.00 0.00 0.00 0.00 44.72 46.09 1yae s GLY 767 CO 0.35 1.06 0.65 -1.59 0.00 0.00 0.00 173.10 173.57 1yae s THR 768 N -1.85 0.00 0.34 0.90 2.01 -0.13 -0.41 115.64 116.50 1yae s THR 768 Ca 0.67 -0.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.37 1yae s THR 768 Cb -0.20 -0.93 -0.12 0.00 0.01 0.00 0.00 72.50 71.26 1yae s THR 768 CO 0.24 -0.01 1.39 -2.65 -0.69 0.00 0.00 174.62 172.90 1yae n PRO 769 N 2.14 2.35 -1.17 4.92 -0.02 -1.26 -0.65 135.00 141.31 1yae n PRO 769 Ca -0.16 0.83 -0.56 0.00 -2.02 0.00 0.00 63.50 61.59 1yae n PRO 769 Cb 0.56 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 1yae n PRO 769 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1yae n MET 770 N 0.77 0.00 -2.41 -0.52 0.00 -1.26 -3.46 117.12 110.25 1yae n MET 770 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.71 1yae n MET 770 Cb 0.37 -1.39 -0.02 0.00 0.00 0.00 0.00 33.22 32.17 1yae n MET 770 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1yae n GLY 771 N 6.88 -5.45 3.21 -5.12 0.00 -1.26 -4.91 105.19 98.55 1yae n GLY 771 Ca 0.50 0.94 -0.13 0.00 0.00 0.00 0.00 46.02 47.34 1yae n GLY 771 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yae s SER 772 N -0.60 -0.32 0.00 1.61 0.15 -1.22 -5.03 113.70 108.28 1yae s SER 772 Ca -0.15 0.60 0.10 0.00 0.70 0.00 0.00 55.95 57.20 1yae s SER 772 Cb 0.01 0.63 0.56 0.00 -1.71 0.00 0.00 66.02 65.51 1yae s SER 772 CO 0.40 -0.14 1.05 -0.81 1.20 0.00 0.00 173.24 174.95 1yae n PRO 773 N 2.78 0.27 -0.06 5.44 -0.04 -1.26 -3.32 135.00 138.80 1yae n PRO 773 Ca -0.14 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.20 1yae n PRO 773 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 1yae n PRO 773 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1yae n TYR 774 N -1.06 0.57 0.07 0.54 4.01 -1.26 -4.60 117.16 115.43 1yae n TYR 774 Ca 0.07 0.14 -0.15 0.00 -0.16 0.00 0.00 57.90 57.80 1yae n TYR 774 Cb 0.04 -1.08 -0.09 0.00 -0.31 0.00 0.00 39.34 37.90 1yae n TYR 774 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1yae h ARG 775 N 0.02 -0.65 -0.95 -0.72 2.43 -1.97 -2.68 114.38 109.86 1yae h ARG 775 Ca -0.48 0.04 0.22 0.00 -0.81 0.00 0.00 59.98 58.96 1yae h ARG 775 Cb 2.03 0.15 -0.12 0.00 -0.42 0.00 0.00 29.97 31.60 1yae h ARG 775 CO 0.02 -0.43 0.51 -0.44 -1.51 0.00 0.00 179.97 178.12 1yae h ASP 776 N -0.67 0.56 -0.56 -3.80 3.32 -1.81 0.57 116.42 114.03 1yae h ASP 776 Ca 0.02 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1yae h ASP 776 Cb 0.72 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 1yae h ASP 776 CO -0.33 0.10 0.25 0.11 -1.72 0.00 0.00 179.24 177.64 1yae h LYS 777 N 0.54 0.82 -0.45 3.56 6.56 -1.75 -2.38 116.57 123.48 1yae h LYS 777 Ca 0.59 -0.14 -0.06 0.00 -1.06 0.00 0.00 60.65 59.98 1yae h LYS 777 Cb 1.08 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.58 1yae h LYS 777 CO -0.47 0.69 0.03 0.82 -2.06 0.00 0.00 179.45 178.46 1yae h ILE 778 N 0.76 1.26 -0.14 1.86 2.04 0.25 -0.11 117.51 123.43 1yae h ILE 778 Ca 0.19 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1yae h ILE 778 Cb 0.16 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1yae h ILE 778 CO -0.02 0.34 -0.35 0.74 0.00 0.00 0.00 178.15 178.86 1yae h THR 779 N 0.62 0.00 -0.70 -0.27 2.02 -0.34 0.52 112.91 114.76 1yae h THR 779 Ca 0.13 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.46 1yae h THR 779 Cb 0.45 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.74 1yae h THR 779 CO 0.02 0.00 -0.03 0.40 0.37 0.00 0.00 175.52 176.27 1yae h ILE 780 N -0.34 0.37 -0.28 3.11 2.04 -1.32 -2.12 117.51 118.97 1yae h ILE 780 Ca 0.03 -0.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1yae h ILE 780 Cb 0.42 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1yae h ILE 780 CO -0.31 0.02 -0.24 0.00 0.00 0.00 0.00 178.15 177.61 1yae h ALA 781 N 1.67 1.07 -0.33 1.87 0.00 0.16 0.22 119.26 123.92 1yae h ALA 781 Ca 0.37 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1yae h ALA 781 Cb 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1yae h ALA 781 CO -0.64 0.57 0.13 0.82 0.00 0.00 0.00 179.25 180.13 1yae h ILE 782 N 0.47 1.18 0.12 0.00 2.04 0.62 -2.28 117.51 119.65 1yae h ILE 782 Ca 0.07 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1yae h ILE 782 Cb 0.67 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1yae h ILE 782 CO 0.05 0.19 -0.06 -0.07 0.00 0.00 0.00 178.15 178.27 1yae h LEU 783 N 0.39 -0.13 -1.00 1.44 3.38 -0.99 -1.58 115.31 116.82 1yae h LEU 783 Ca 0.11 -0.04 0.40 0.00 0.09 0.00 0.00 57.88 58.44 1yae h LEU 783 Cb 0.18 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 40.79 1yae h LEU 783 CO -0.01 -0.05 0.54 -0.61 0.09 0.00 0.00 178.44 178.40 1yae h GLN 784 N -0.21 0.07 0.00 1.13 4.15 -0.49 0.26 115.11 120.02 1yae h GLN 784 Ca -0.02 -0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.20 1yae h GLN 784 Cb 0.16 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1yae h GLN 784 CO 0.03 0.04 -1.09 -0.07 -1.93 0.00 0.00 178.83 175.81 1yae h LEU 785 N 0.07 0.00 -0.10 -2.39 3.38 -0.80 -3.06 115.31 112.40 1yae h LEU 785 Ca 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.76 1yae h LEU 785 Cb 2.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.86 1yae h LEU 785 CO -0.74 0.83 -0.06 -0.61 0.09 0.00 0.00 178.44 177.95 1yae h GLN 786 N 0.00 0.22 -0.65 1.13 -0.00 0.12 -1.54 115.11 114.38 1yae h GLN 786 Ca -0.09 -0.10 0.13 0.00 -0.00 0.00 0.00 58.65 58.59 1yae h GLN 786 Cb 1.71 -0.00 -0.10 0.00 0.00 0.00 0.00 27.48 29.09 1yae h GLN 786 CO 0.09 0.59 0.14 1.49 0.00 0.00 0.00 178.83 181.14 1yae h GLU 787 N -0.16 0.25 -0.00 1.69 4.57 -0.66 -0.48 114.58 119.79 1yae h GLU 787 Ca 0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1yae h GLU 787 Cb 0.53 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1yae h GLU 787 CO 0.02 0.17 -0.10 0.39 -1.18 0.00 0.00 179.01 178.31 1yae n GLU 788 N -5.15 0.39 -0.89 1.92 1.02 -1.16 -4.92 120.64 111.86 1yae n GLU 788 Ca 0.11 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1yae n GLU 788 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.35 0.62 0.32 0.62 0.00 -0.19 -4.94 105.19 102.97 1yae n GLY 789 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 1.65 1.00 0.00 1.61 1.79 -1.52 -1.80 116.57 119.30 1yae h LYS 790 Ca 0.00 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 1yae h LYS 790 Cb 0.00 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.51 1yae h LYS 790 CO 0.00 0.89 -0.06 -0.07 -1.08 0.00 0.00 179.45 179.12 1yae h LEU 791 N 0.95 0.00 0.17 2.94 3.38 -1.81 -0.71 115.31 120.23 1yae h LEU 791 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1yae h LEU 791 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1yae h LEU 791 CO 0.00 0.06 -0.08 -0.74 0.09 0.00 0.00 178.44 177.77 1yae h HIS 792 N 0.00 -0.21 -0.77 1.13 2.76 -1.73 -3.26 115.15 113.07 1yae h HIS 792 Ca -0.00 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1yae h HIS 792 Cb 0.12 0.07 -0.10 0.00 1.55 0.00 0.00 27.41 29.05 1yae h HIS 792 CO 0.00 0.12 -0.54 0.52 -1.30 0.00 0.00 177.93 176.73 1yae h MET 793 N -0.98 -0.11 -0.77 5.26 2.86 -1.04 -1.05 114.93 119.10 1yae h MET 793 Ca -0.02 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.80 1yae h MET 793 Cb 0.43 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.98 1yae h MET 793 CO 0.04 -0.07 0.05 0.52 1.06 0.00 0.00 176.91 178.51 1yae h MET 794 N -0.11 0.13 -0.46 1.72 2.07 -1.28 0.27 114.93 117.26 1yae h MET 794 Ca 0.12 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.73 1yae h MET 794 Cb 0.44 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.12 1yae h MET 794 CO -0.78 0.08 0.23 -0.22 1.07 0.00 0.00 176.91 177.30 1yae h LYS 795 N 0.13 0.66 -0.52 1.72 3.64 -1.33 -1.25 116.57 119.63 1yae h LYS 795 Ca 0.43 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.78 1yae h LYS 795 Cb 0.78 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1yae h LYS 795 CO -0.65 0.54 0.35 1.49 -2.27 0.00 0.00 179.45 178.91 1yae h GLU 796 N 0.60 0.48 0.56 1.90 4.57 0.31 0.27 114.58 123.28 1yae h GLU 796 Ca 0.16 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 1yae h GLU 796 Cb 0.09 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1yae h GLU 796 CO -0.02 0.32 -0.27 -0.22 -1.18 0.00 0.00 179.01 177.64 1yae h LYS 797 N 0.50 -0.72 0.00 1.92 1.63 -0.09 -3.16 116.57 116.65 1yae h LYS 797 Ca 0.22 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1yae h LYS 797 Cb 0.24 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1yae h LYS 797 CO -0.06 -0.42 -0.45 0.91 -3.45 0.00 0.00 179.45 175.98 1yae n TRP 798 N -5.31 0.52 -0.03 1.91 7.02 -0.52 -4.00 117.44 117.04 1yae n TRP 798 Ca -0.11 0.15 0.05 0.00 -1.02 0.00 0.00 57.50 56.58 1yae n TRP 798 Cb 0.33 -0.65 -0.15 0.00 -2.42 0.00 0.00 31.31 28.42 1yae n TRP 798 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1yae n TRP 799 N -2.02 0.00 -0.74 -5.99 8.01 0.90 -4.86 117.44 112.73 1yae n TRP 799 Ca 0.04 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.96 1yae n TRP 799 Cb 0.42 -0.56 -0.03 0.00 -2.01 0.00 0.00 31.31 29.13 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 -2.30 0.00 0.00 -0.99 3.00 -1.19 -4.85 116.66 110.33 1yae n ARG 800 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 1yae n ARG 800 Cb 0.65 -0.64 0.00 0.00 0.00 0.00 0.00 32.46 32.47 1yae n ARG 800 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04