#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijj n THR 405 N 0.00 0.00 -0.96 3.84 -2.24 -1.26 -4.91 114.28 108.75 1ijj n THR 405 Ca 0.00 -0.41 -0.33 0.00 -2.27 0.00 0.00 64.05 61.04 1ijj n THR 405 Cb 0.00 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.35 1ijj n THR 405 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ijj n THR 406 N -1.40 0.95 -4.16 4.28 -2.24 -1.26 -4.86 114.28 105.59 1ijj n THR 406 Ca 0.05 -0.21 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 1ijj n THR 406 Cb 0.40 -0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 1ijj n THR 406 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ijj s ALA 407 N -2.25 4.17 -0.03 6.98 0.00 -1.26 -4.50 121.76 124.86 1ijj s ALA 407 Ca 0.65 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1ijj s ALA 407 Cb -0.27 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 1ijj s ALA 407 CO 0.59 -0.27 -0.22 -0.51 0.00 0.00 0.00 175.76 175.35 1ijj s LEU 408 N -4.09 2.02 -0.17 0.00 1.43 0.16 -2.20 118.68 115.82 1ijj s LEU 408 Ca 0.28 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1ijj s LEU 408 Cb 0.00 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1ijj s LEU 408 CO 0.17 0.24 0.01 -0.69 0.23 0.00 0.00 176.35 176.31 1ijj s VAL 409 N -0.31 4.29 -0.20 -1.59 1.01 -1.02 0.20 120.40 122.78 1ijj s VAL 409 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1ijj s VAL 409 Cb -0.11 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.42 1ijj s VAL 409 CO 0.01 0.47 0.03 0.00 0.00 0.00 0.00 175.10 175.60 1ijj s ASP 411 N 1.79 6.20 -0.66 0.00 3.68 0.33 -2.03 116.67 125.99 1ijj s ASP 411 Ca -0.01 -1.51 -0.22 0.00 2.13 0.00 0.00 52.55 52.93 1ijj s ASP 411 Cb -0.17 -2.29 0.07 0.00 -1.45 0.00 0.00 42.92 39.08 1ijj s ASP 411 CO -0.08 -1.07 0.96 0.20 0.13 0.00 0.00 175.17 175.30 1ijj s ASN 412 N 3.61 6.18 0.40 -0.34 0.01 -1.26 -1.51 114.94 122.03 1ijj s ASN 412 Ca 0.11 -1.01 0.08 0.00 -0.71 0.00 0.00 52.86 51.33 1ijj s ASN 412 Cb -0.24 -2.42 -0.01 0.00 0.41 0.00 0.00 41.25 38.99 1ijj s ASN 412 CO 0.05 -1.44 0.44 -0.83 -1.51 0.00 0.00 177.10 173.82 1ijj s GLY 413 N 3.68 1.99 0.11 0.66 0.00 -0.95 -4.92 107.32 107.90 1ijj s GLY 413 Ca 0.22 -1.75 -0.20 0.00 0.00 0.00 0.00 44.72 42.98 1ijj s GLY 413 CO 0.10 -1.59 1.74 1.76 0.00 0.00 0.00 173.10 175.11 1ijj h SER 414 N 0.91 0.21 0.00 1.64 0.02 -1.92 -3.36 113.55 111.05 1ijj h SER 414 Ca -0.42 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1ijj h SER 414 Cb 1.27 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 1ijj h SER 414 CO 0.53 0.19 -0.21 1.23 -1.14 0.00 0.00 176.83 177.43 1ijj h GLY 415 N 0.21 0.00 -3.88 -3.77 0.00 -1.89 -3.43 103.07 90.31 1ijj h GLY 415 Ca 0.06 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.71 1ijj h GLY 415 CO -0.01 0.00 -0.85 1.08 0.00 0.00 0.00 176.54 176.76 1ijj s LEU 416 N -8.41 2.41 -0.12 3.11 1.43 -1.26 -0.54 118.68 115.30 1ijj s LEU 416 Ca -0.07 -0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 52.25 1ijj s LEU 416 Cb 0.01 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1ijj s LEU 416 CO 0.12 0.17 0.11 -0.69 0.23 0.00 0.00 176.35 176.29 1ijj s VAL 417 N -1.13 5.26 -0.28 -1.59 1.01 -0.45 -2.25 120.40 120.97 1ijj s VAL 417 Ca 0.15 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 1ijj s VAL 417 Cb -0.10 -3.29 0.09 0.00 0.00 0.00 0.00 36.38 33.08 1ijj s VAL 417 CO 0.07 0.60 0.08 -0.54 0.00 0.00 0.00 175.10 175.31 1ijj s LYS 418 N -0.82 0.67 0.44 2.72 3.01 -0.57 -2.10 119.74 123.09 1ijj s LYS 418 Ca 0.14 -0.84 0.07 0.00 -1.01 0.00 0.00 55.97 54.33 1ijj s LYS 418 Cb -0.12 -1.94 -0.02 0.00 -1.01 0.00 0.00 37.83 34.74 1ijj s LYS 418 CO 0.03 -0.89 0.28 0.00 0.51 0.00 0.00 175.35 175.28 1ijj s ALA 419 N 1.73 3.91 0.00 5.17 0.00 0.40 0.12 121.76 133.10 1ijj s ALA 419 Ca 0.06 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.19 1ijj s ALA 419 Cb -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1ijj s ALA 419 CO -0.22 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1ijj n GLY 420 N -1.44 -1.07 3.48 0.00 0.00 -0.87 -1.45 105.19 103.85 1ijj n GLY 420 Ca -0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 1ijj n GLY 420 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ijj s PHE 421 N -3.00 2.69 0.24 1.61 0.40 -1.26 -2.45 117.98 116.21 1ijj s PHE 421 Ca 0.00 -0.17 -0.31 0.00 -0.60 0.00 0.00 56.93 55.85 1ijj s PHE 421 Cb 0.00 -1.60 -0.13 0.00 0.51 0.00 0.00 43.02 41.80 1ijj s PHE 421 CO 0.00 0.21 1.44 0.00 0.70 0.00 0.00 175.22 177.57 1ijj n ALA 422 N 2.14 1.34 0.00 5.36 0.00 -0.94 -0.45 120.51 127.96 1ijj n ALA 422 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1ijj n ALA 422 Cb 0.52 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1ijj n ALA 422 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ijj n GLY 423 N 2.21 3.10 3.56 0.00 0.00 -1.23 -4.75 105.19 108.09 1ijj n GLY 423 Ca 0.11 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1ijj n GLY 423 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ijj n ASP 424 N 0.73 0.61 -0.05 1.61 9.92 0.40 -4.85 116.55 124.92 1ijj n ASP 424 Ca 0.00 1.02 0.14 0.00 -0.53 0.00 0.00 54.79 55.41 1ijj n ASP 424 Cb 0.00 -1.27 0.54 0.00 -0.64 0.00 0.00 41.12 39.75 1ijj n ASP 424 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1ijj n ASP 425 N 0.81 0.32 -3.45 -2.24 5.75 -1.26 -4.85 116.55 111.64 1ijj n ASP 425 Ca 0.10 -0.18 -0.13 0.00 -0.01 0.00 0.00 54.79 54.58 1ijj n ASP 425 Cb 0.38 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 1ijj n ASP 425 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ijj s ALA 426 N -2.74 -1.58 0.01 2.12 0.00 -1.26 -4.95 121.76 113.36 1ijj s ALA 426 Ca 0.21 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 1ijj s ALA 426 Cb 0.19 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 24.00 1ijj s ALA 426 CO 0.54 -0.71 1.67 -1.25 0.00 0.00 0.00 175.76 176.00 1ijj s PRO 427 N -3.41 4.19 0.08 0.00 0.04 -1.26 -4.75 135.00 129.88 1ijj s PRO 427 Ca -0.00 2.27 -0.18 0.00 0.04 0.00 0.00 61.00 63.13 1ijj s PRO 427 Cb -0.01 -3.82 -0.09 0.00 0.04 0.00 0.00 34.50 30.62 1ijj s PRO 427 CO -0.10 -0.79 1.46 -0.09 0.04 0.00 0.00 177.00 177.52 1ijj h ARG 428 N 9.03 0.50 -5.53 4.56 2.43 -1.77 -3.44 114.38 120.17 1ijj h ARG 428 Ca -0.41 -0.20 -0.65 0.00 -0.81 0.00 0.00 59.98 57.90 1ijj h ARG 428 Cb 1.19 -0.02 -0.21 0.00 -0.42 0.00 0.00 29.97 30.51 1ijj h ARG 428 CO 0.94 0.73 -0.68 0.00 -1.51 0.00 0.00 179.97 179.45 1ijj s ALA 429 N -4.70 2.98 -0.28 2.80 0.00 -0.53 -5.01 121.76 117.02 1ijj s ALA 429 Ca -0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1ijj s ALA 429 Cb 0.07 -1.45 0.10 0.00 0.00 0.00 0.00 23.12 21.84 1ijj s ALA 429 CO 0.77 0.32 0.14 0.08 0.00 0.00 0.00 175.76 177.07 1ijj s VAL 430 N 0.02 -0.10 0.02 0.00 1.01 -1.26 -0.45 120.40 119.65 1ijj s VAL 430 Ca -0.00 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1ijj s VAL 430 Cb -0.13 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1ijj s VAL 430 CO 0.03 -0.67 -0.11 0.72 0.00 0.00 0.00 175.10 175.06 1ijj s PHE 431 N 2.12 0.98 0.10 5.22 -0.12 -0.89 -4.95 117.98 120.44 1ijj s PHE 431 Ca 0.08 -0.28 -0.33 0.00 -0.05 0.00 0.00 56.93 56.35 1ijj s PHE 431 Cb -0.16 -0.60 -0.13 0.00 -0.63 0.00 0.00 43.02 41.50 1ijj s PHE 431 CO -0.34 -0.00 1.72 -0.35 -0.05 0.00 0.00 175.22 176.19 1ijj n PRO 432 N 2.30 2.34 -2.43 1.99 -0.04 -1.26 -1.34 135.00 136.55 1ijj n PRO 432 Ca -0.16 0.85 -0.43 0.00 -0.04 0.00 0.00 63.50 63.72 1ijj n PRO 432 Cb 0.56 -2.67 -0.02 0.00 -0.04 0.00 0.00 33.50 31.32 1ijj n PRO 432 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ijj s SER 433 N 2.09 6.38 -0.19 3.54 0.01 0.29 -4.50 113.70 121.32 1ijj s SER 433 Ca 0.83 0.60 -0.32 0.00 1.31 0.00 0.00 55.95 58.37 1ijj s SER 433 Cb -0.63 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.21 1ijj s SER 433 CO 0.41 -1.44 1.17 0.27 0.41 0.00 0.00 173.24 174.05 1ijj s ILE 434 N 5.29 0.00 -0.23 1.44 -4.36 -1.26 -4.60 121.20 117.48 1ijj s ILE 434 Ca 0.55 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.93 1ijj s ILE 434 Cb -0.11 -1.00 0.07 0.00 1.25 0.00 0.00 42.46 42.67 1ijj s ILE 434 CO 0.31 0.00 0.03 0.68 0.24 0.00 0.00 174.94 176.20 1ijj s VAL 435 N -1.78 0.80 -0.04 8.37 -7.23 0.16 -4.29 120.40 116.38 1ijj s VAL 435 Ca 0.06 -0.86 -0.27 0.00 -1.81 0.00 0.00 61.98 59.11 1ijj s VAL 435 Cb -0.01 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 1ijj s VAL 435 CO -0.04 -0.28 0.85 -0.83 -0.31 0.00 0.00 175.10 174.48 1ijj s GLY 436 N 1.72 2.72 0.01 2.32 0.00 0.38 -1.54 107.32 112.92 1ijj s GLY 436 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 44.72 45.09 1ijj s GLY 436 CO -0.11 1.47 -0.13 0.50 0.00 0.00 0.00 173.10 174.82 1ijj s ARG 437 N 1.01 1.02 0.53 2.90 0.52 -1.00 0.12 118.95 124.05 1ijj s ARG 437 Ca 0.45 -0.56 -0.21 0.00 -0.52 0.00 0.00 55.73 54.88 1ijj s ARG 437 Cb -0.19 -1.00 -0.07 0.00 0.52 0.00 0.00 34.95 34.21 1ijj s ARG 437 CO 0.22 0.27 1.08 -0.35 0.02 0.00 0.00 175.30 176.54 1ijj n PRO 438 N 2.48 1.25 -1.57 3.54 -0.04 -1.24 -0.48 135.00 138.93 1ijj n PRO 438 Ca -0.15 0.46 -0.38 0.00 -0.04 0.00 0.00 63.50 63.39 1ijj n PRO 438 Cb 0.55 -2.24 0.04 0.00 -0.04 0.00 0.00 33.50 31.82 1ijj n PRO 438 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ijj n ARG 439 N -0.66 0.85 -3.34 0.54 1.74 0.19 -4.04 116.66 111.95 1ijj n ARG 439 Ca 0.11 0.33 -0.29 0.00 -0.77 0.00 0.00 57.85 57.23 1ijj n ARG 439 Cb 0.44 -2.02 0.03 0.00 -1.02 0.00 0.00 32.46 29.89 1ijj n ARG 439 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ijj n HIS 440 N -1.54 -2.67 0.56 -1.55 8.25 -1.26 -4.89 115.22 112.11 1ijj n HIS 440 Ca 0.13 1.11 0.06 0.00 -0.26 0.00 0.00 57.72 58.75 1ijj n HIS 440 Cb 0.46 -2.22 -0.06 0.00 1.12 0.00 0.00 29.99 29.29 1ijj n HIS 440 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ijj n GLN 441 N -0.06 3.07 -0.02 -0.41 6.02 -1.26 -4.22 117.38 120.50 1ijj n GLN 441 Ca -0.04 -0.02 -0.02 0.00 -0.01 0.00 0.00 57.00 56.91 1ijj n GLN 441 Cb 0.61 -1.06 -0.01 0.00 1.02 0.00 0.00 30.24 30.80 1ijj n GLN 441 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1ijj h GLY 442 N 2.78 -1.95 -0.01 1.08 0.00 -1.92 -3.30 103.07 99.74 1ijj h GLY 442 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 47.33 48.21 1ijj h GLY 442 CO 0.00 -0.71 -0.01 -0.62 0.00 0.00 0.00 176.54 175.20 1ijj n VAL 443 N -3.08 1.76 -1.47 4.60 0.31 -1.26 -4.90 118.33 114.29 1ijj n VAL 443 Ca -0.00 -2.09 -0.40 0.00 -0.01 0.00 0.00 64.34 61.83 1ijj n VAL 443 Cb 0.04 -0.14 -0.02 0.00 -0.91 0.00 0.00 33.84 32.81 1ijj n VAL 443 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1ijj n MET 444 N -1.31 3.08 -1.83 5.55 0.00 -1.24 -4.95 117.12 116.42 1ijj n MET 444 Ca 0.14 -2.33 -0.40 0.00 0.00 0.00 0.00 57.70 55.11 1ijj n MET 444 Cb 0.60 -3.02 0.01 0.00 0.00 0.00 0.00 33.22 30.80 1ijj n MET 444 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1ijj s VAL 445 N 2.89 2.12 0.00 1.12 0.11 -1.26 -3.27 120.40 122.11 1ijj s VAL 445 Ca 0.57 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 1ijj s VAL 445 Cb 0.15 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.93 1ijj s VAL 445 CO -0.06 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 1ijj n GLY 446 N 0.55 2.40 3.45 6.54 0.00 -1.26 -4.94 105.19 111.93 1ijj n GLY 446 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1ijj n GLY 446 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ijj n MET 447 N -2.00 3.15 0.00 1.61 2.00 -1.20 -4.92 117.12 115.76 1ijj n MET 447 Ca 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 57.70 54.51 1ijj n MET 447 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 33.22 29.76 1ijj n MET 447 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ijj n GLY 448 N 5.18 1.03 3.22 3.03 0.00 -1.26 -4.58 105.19 111.80 1ijj n GLY 448 Ca 0.49 0.75 -0.24 0.00 0.00 0.00 0.00 46.02 47.03 1ijj n GLY 448 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ijj s GLN 449 N 0.00 1.23 -0.03 1.61 1.03 -1.26 -5.12 119.66 117.13 1ijj s GLN 449 Ca 0.00 -0.89 -0.30 0.00 0.04 0.00 0.00 55.36 54.22 1ijj s GLN 449 Cb 0.00 -1.32 -0.06 0.00 0.03 0.00 0.00 33.01 31.66 1ijj s GLN 449 CO 0.00 0.33 1.58 0.15 -2.54 0.00 0.00 175.29 174.82 1ijj s LYS 450 N -1.18 4.21 -0.19 9.60 -0.14 -1.26 -4.98 119.74 125.79 1ijj s LYS 450 Ca 0.06 2.14 -0.16 0.00 -1.36 0.00 0.00 55.97 56.65 1ijj s LYS 450 Cb -0.08 -3.83 -0.04 0.00 -1.68 0.00 0.00 37.83 32.19 1ijj s LYS 450 CO 0.02 -0.77 0.39 -0.51 -0.76 0.00 0.00 175.35 173.72 1ijj s ASP 451 N 2.83 6.45 -0.04 2.83 1.11 -1.26 -5.06 116.67 123.54 1ijj s ASP 451 Ca 0.71 0.53 0.03 0.00 0.18 0.00 0.00 52.55 54.00 1ijj s ASP 451 Cb -0.33 -2.23 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1ijj s ASP 451 CO 0.28 -0.05 -0.13 -0.94 1.18 0.00 0.00 175.17 175.51 1ijj s SER 452 N 0.95 1.73 -0.08 0.27 1.04 -1.26 -3.71 113.70 112.63 1ijj s SER 452 Ca 0.19 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.37 1ijj s SER 452 Cb -0.15 -0.52 0.01 0.00 0.10 0.00 0.00 66.02 65.46 1ijj s SER 452 CO 0.08 0.10 -0.17 -0.31 0.98 0.00 0.00 173.24 173.91 1ijj s TYR 453 N 0.20 1.96 0.00 5.02 1.51 0.32 -4.98 117.35 121.36 1ijj s TYR 453 Ca -0.05 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 1ijj s TYR 453 Cb -0.11 -1.36 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 1ijj s TYR 453 CO 0.02 -0.36 0.00 0.28 -1.11 0.00 0.00 175.55 174.38 1ijj n VAL 454 N 3.74 0.00 0.00 0.71 0.31 -1.26 0.14 118.33 121.97 1ijj n VAL 454 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1ijj n VAL 454 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1ijj n VAL 454 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ijj n GLY 455 N 5.00 0.00 0.12 2.92 0.00 -1.26 -1.96 105.19 110.01 1ijj n GLY 455 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1ijj n GLY 455 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ijj n ASP 456 N 0.00 0.60 -0.33 1.61 9.92 -1.26 -3.29 116.55 123.80 1ijj n ASP 456 Ca 0.00 -0.49 0.04 0.00 -0.53 0.00 0.00 54.79 53.82 1ijj n ASP 456 Cb 0.00 0.02 0.22 0.00 -0.64 0.00 0.00 41.12 40.72 1ijj n ASP 456 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ijj h GLU 457 N 0.57 1.03 0.00 -1.24 5.08 -1.92 0.19 114.58 118.29 1ijj h GLU 457 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ijj h GLU 457 Cb 0.45 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ijj h GLU 457 CO 0.00 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 178.69 1ijj n ALA 458 N -2.38 1.80 -3.59 3.43 0.00 -0.83 -3.90 120.51 115.04 1ijj n ALA 458 Ca 0.15 0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 1ijj n ALA 458 Cb 0.22 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.20 1ijj n ALA 458 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ijj n GLN 459 N -2.06 1.71 0.00 0.00 7.27 0.05 -3.55 117.38 120.81 1ijj n GLN 459 Ca 0.03 -4.23 0.00 0.00 0.07 0.00 0.00 57.00 52.88 1ijj n GLN 459 Cb 0.26 -2.07 0.00 0.00 2.41 0.00 0.00 30.24 30.84 1ijj n GLN 459 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1ijj n SER 460 N 1.65 0.00 0.00 1.69 2.88 -1.25 -4.77 113.62 113.82 1ijj n SER 460 Ca 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1ijj n SER 460 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1ijj n SER 460 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ijj n LYS 461 N 0.00 0.33 -0.46 -1.46 5.02 -1.26 -4.90 118.16 115.44 1ijj n LYS 461 Ca 0.00 -0.51 0.36 0.00 -2.02 0.00 0.00 58.31 56.14 1ijj n LYS 461 Cb 0.00 -0.69 0.58 0.00 -0.02 0.00 0.00 35.03 34.90 1ijj n LYS 461 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ijj n ARG 462 N -0.09 -0.02 0.08 1.97 0.00 -1.23 -1.62 116.66 115.75 1ijj n ARG 462 Ca 0.00 0.93 -0.15 0.00 -0.00 0.00 0.00 57.85 58.64 1ijj n ARG 462 Cb 0.27 -1.96 -0.08 0.00 0.00 0.00 0.00 32.46 30.69 1ijj n ARG 462 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1ijj h GLY 463 N 0.00 -0.93 -2.56 5.14 0.00 -1.92 -0.85 103.07 101.96 1ijj h GLY 463 Ca 0.72 0.57 -0.00 0.00 0.00 0.00 0.00 47.33 48.61 1ijj h GLY 463 CO -0.21 -0.25 0.00 0.29 0.00 0.00 0.00 176.54 176.37 1ijj n ILE 464 N -5.46 1.68 -4.35 2.60 -5.35 -0.64 -4.93 119.36 102.91 1ijj n ILE 464 Ca -0.07 -0.85 -0.25 0.00 -0.27 0.00 0.00 62.75 61.32 1ijj n ILE 464 Cb 0.39 -0.37 -0.09 0.00 -1.74 0.00 0.00 39.64 37.83 1ijj n ILE 464 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1ijj s LEU 465 N -1.67 2.91 -0.24 7.28 1.43 -0.33 0.57 118.68 128.64 1ijj s LEU 465 Ca 0.33 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1ijj s LEU 465 Cb 0.25 -1.50 0.07 0.00 0.03 0.00 0.00 46.19 45.04 1ijj s LEU 465 CO 0.10 0.05 0.00 0.42 0.23 0.00 0.00 176.35 177.15 1ijj s THR 466 N -2.14 1.14 0.28 5.49 -4.23 0.37 -4.81 115.64 111.74 1ijj s THR 466 Ca 0.28 -1.08 -0.27 0.00 -1.18 0.00 0.00 61.69 59.45 1ijj s THR 466 Cb -0.07 -1.57 -0.09 0.00 1.34 0.00 0.00 72.50 72.11 1ijj s THR 466 CO 0.16 -0.24 0.91 -0.76 -0.54 0.00 0.00 174.62 174.15 1ijj s LEU 467 N 1.56 4.46 -0.09 4.79 1.43 -1.26 -2.38 118.68 127.19 1ijj s LEU 467 Ca -0.01 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.94 1ijj s LEU 467 Cb -0.18 -3.80 0.01 0.00 0.03 0.00 0.00 46.19 42.25 1ijj s LEU 467 CO -0.10 0.03 -0.18 -0.54 0.23 0.00 0.00 176.35 175.80 1ijj s LYS 468 N -1.71 2.36 -0.41 1.70 1.02 -0.59 -4.90 119.74 117.21 1ijj s LYS 468 Ca 0.46 -0.64 -0.18 0.00 0.02 0.00 0.00 55.97 55.63 1ijj s LYS 468 Cb -0.21 -1.86 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1ijj s LYS 468 CO 0.26 0.09 0.48 0.71 -0.92 0.00 0.00 175.35 175.97 1ijj s TYR 469 N 0.55 3.15 0.23 3.18 1.51 -1.26 0.37 117.35 125.08 1ijj s TYR 469 Ca -0.16 -0.22 0.29 0.00 -1.01 0.00 0.00 57.07 55.97 1ijj s TYR 469 Cb -0.17 -2.97 1.30 0.00 -0.11 0.00 0.00 41.96 40.01 1ijj s TYR 469 CO 0.06 -0.70 1.98 -1.35 -1.11 0.00 0.00 175.55 174.43 1ijj h PRO 470 N 8.71 0.00 -4.86 -1.71 0.11 -1.89 -3.42 132.00 128.93 1ijj h PRO 470 Ca -0.27 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.18 1ijj h PRO 470 Cb 1.11 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.00 1ijj h PRO 470 CO 0.80 0.12 -0.58 0.42 -0.21 0.00 0.00 178.00 178.55 1ijj s ILE 471 N -3.83 4.59 -0.40 4.15 1.09 -1.26 -2.61 121.20 122.92 1ijj s ILE 471 Ca -0.01 -0.24 -0.12 0.00 -1.10 0.00 0.00 60.65 59.18 1ijj s ILE 471 Cb 0.11 -3.25 0.04 0.00 -1.06 0.00 0.00 42.46 38.30 1ijj s ILE 471 CO 0.58 0.20 0.26 -1.61 -0.10 0.00 0.00 174.94 174.27 1ijj s GLU 472 N 1.63 2.83 -1.40 2.79 0.41 0.53 -4.45 118.70 121.04 1ijj s GLU 472 Ca 0.06 -1.18 -0.09 0.00 -0.41 0.00 0.00 54.97 53.35 1ijj s GLU 472 Cb -0.16 -3.85 0.05 0.00 -1.78 0.00 0.00 34.13 28.39 1ijj s GLU 472 CO 0.06 -0.80 0.60 0.72 -0.49 0.00 0.00 175.26 175.34 1ijj n HIS 473 N 5.05 -1.93 0.00 1.61 8.25 -1.25 -0.55 115.22 126.41 1ijj n HIS 473 Ca -0.11 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 1ijj n HIS 473 Cb 0.45 -3.58 0.00 0.00 1.12 0.00 0.00 29.99 27.98 1ijj n HIS 473 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ijj n GLY 474 N -1.36 1.36 3.52 -1.41 0.00 -1.26 -4.64 105.19 101.39 1ijj n GLY 474 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1ijj n GLY 474 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ijj s ILE 475 N -2.44 4.08 -0.38 -0.61 -1.09 0.29 -4.64 121.20 116.40 1ijj s ILE 475 Ca 0.00 -0.29 -0.28 0.00 -2.23 0.00 0.00 60.65 57.85 1ijj s ILE 475 Cb 0.00 -2.80 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 1ijj s ILE 475 CO 0.00 0.48 1.86 -0.63 -1.23 0.00 0.00 174.94 175.42 1ijj s ILE 476 N 0.39 3.41 -0.15 2.92 1.01 -1.26 -0.35 121.20 127.17 1ijj s ILE 476 Ca -0.02 0.39 0.12 0.00 0.00 0.00 0.00 60.65 61.14 1ijj s ILE 476 Cb -0.14 -3.64 -0.18 0.00 0.01 0.00 0.00 42.46 38.51 1ijj s ILE 476 CO 0.02 -0.46 0.04 0.35 0.00 0.00 0.00 174.94 174.89 1ijj n THR 477 N 7.42 1.02 -3.53 2.92 -2.24 -1.07 -4.76 114.28 114.03 1ijj n THR 477 Ca 0.23 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1ijj n THR 477 Cb 0.48 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 1ijj n THR 477 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ijj s ASN 478 N -4.89 6.11 0.09 3.42 3.04 -1.17 -4.93 114.94 116.61 1ijj s ASN 478 Ca -0.09 -3.04 -0.24 0.00 0.04 0.00 0.00 52.86 49.54 1ijj s ASN 478 Cb 0.05 -2.02 -0.15 0.00 -1.54 0.00 0.00 41.25 37.59 1ijj s ASN 478 CO 0.60 -0.40 1.73 -0.50 -3.04 0.00 0.00 177.10 175.49 1ijj h TRP 479 N 7.06 -0.10 -0.20 0.43 4.06 -1.88 -2.47 115.95 122.85 1ijj h TRP 479 Ca 0.08 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.08 1ijj h TRP 479 Cb 0.95 0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 29.08 1ijj h TRP 479 CO 0.83 -0.06 -0.21 -0.44 -3.56 0.00 0.00 178.44 175.00 1ijj h ASP 480 N -0.10 -0.66 0.04 -3.49 3.32 -2.01 -2.40 116.42 111.14 1ijj h ASP 480 Ca -0.00 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1ijj h ASP 480 Cb 0.08 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1ijj h ASP 480 CO 0.00 -0.25 -0.09 0.44 -1.72 0.00 0.00 179.24 177.62 1ijj h ASP 481 N -0.23 0.10 -0.03 6.45 5.19 -1.98 -2.75 116.42 123.18 1ijj h ASP 481 Ca 0.12 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1ijj h ASP 481 Cb 0.41 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 1ijj h ASP 481 CO -0.33 0.21 0.01 -0.03 -3.12 0.00 0.00 179.24 175.98 1ijj h MET 482 N 0.11 0.05 -0.77 3.56 4.05 -0.95 -0.95 114.93 120.03 1ijj h MET 482 Ca 0.03 -0.01 0.17 0.00 -0.28 0.00 0.00 59.70 59.60 1ijj h MET 482 Cb 0.23 -0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 30.91 1ijj h MET 482 CO 0.01 0.24 0.21 0.93 0.23 0.00 0.00 176.91 178.54 1ijj h GLU 483 N -0.16 0.29 -0.15 0.39 5.08 -1.18 0.43 114.58 119.27 1ijj h GLU 483 Ca 0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1ijj h GLU 483 Cb 0.21 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1ijj h GLU 483 CO -0.00 0.19 -0.34 0.87 -1.00 0.00 0.00 179.01 178.73 1ijj h LYS 484 N 0.29 -0.30 -0.76 2.33 1.79 -1.25 0.34 116.57 119.03 1ijj h LYS 484 Ca 0.44 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 59.01 1ijj h LYS 484 Cb 0.76 0.07 -0.11 0.00 -1.58 0.00 0.00 32.23 31.38 1ijj h LYS 484 CO -0.51 -0.20 -0.55 0.82 -1.08 0.00 0.00 179.45 177.92 1ijj h ILE 485 N -0.31 0.01 -0.59 1.86 1.08 0.10 0.36 117.51 120.01 1ijj h ILE 485 Ca 0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.47 1ijj h ILE 485 Cb 0.40 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 1ijj h ILE 485 CO -0.31 0.00 0.26 -0.50 -0.69 0.00 0.00 178.15 176.91 1ijj h TRP 486 N -0.16 0.84 0.51 1.37 6.55 0.00 0.41 115.95 125.48 1ijj h TRP 486 Ca 0.14 -0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.93 1ijj h TRP 486 Cb 0.50 -0.26 -0.01 0.00 -0.86 0.00 0.00 29.16 28.53 1ijj h TRP 486 CO -0.89 0.64 -0.36 1.25 -1.05 0.00 0.00 178.44 178.03 1ijj h HIS 487 N 0.84 -0.95 -0.24 0.49 2.76 0.15 0.79 115.15 119.00 1ijj h HIS 487 Ca 0.20 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.43 1ijj h HIS 487 Cb 0.13 0.35 -0.07 0.00 1.55 0.00 0.00 27.41 29.36 1ijj h HIS 487 CO 0.01 -0.53 -0.33 1.25 -1.30 0.00 0.00 177.93 177.04 1ijj h HIS 488 N -0.84 -0.90 -0.56 5.26 -0.00 0.29 -0.77 115.15 117.62 1ijj h HIS 488 Ca -0.06 0.05 0.11 0.00 -0.00 0.00 0.00 60.37 60.47 1ijj h HIS 488 Cb 0.70 0.43 -0.11 0.00 -0.00 0.00 0.00 27.41 28.43 1ijj h HIS 488 CO -0.13 -0.39 -0.18 1.15 -0.00 0.00 0.00 177.93 178.38 1ijj h THR 489 N -0.34 0.38 0.00 6.26 2.02 0.30 0.56 112.91 122.09 1ijj h THR 489 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1ijj h THR 489 Cb 0.54 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1ijj h THR 489 CO -0.43 0.00 0.00 0.49 0.37 0.00 0.00 175.52 175.95 1ijj n PHE 490 N -5.41 0.00 0.30 3.16 0.99 0.23 0.45 117.46 117.18 1ijj n PHE 490 Ca 0.06 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.68 1ijj n PHE 490 Cb 0.31 -0.27 0.82 0.00 -1.00 0.00 0.00 39.48 39.35 1ijj n PHE 490 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1ijj h TYR 491 N 0.00 0.00 0.00 1.38 -1.99 -1.20 1.02 116.97 116.18 1ijj h TYR 491 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ijj h TYR 491 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1ijj h TYR 491 CO 0.11 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.54 1ijj n ASN 492 N -2.90 0.00 -0.07 3.88 6.94 0.08 -3.98 115.26 119.20 1ijj n ASN 492 Ca -0.00 -0.61 -0.08 0.00 -0.02 0.00 0.00 54.58 53.86 1ijj n ASN 492 Cb 0.20 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.52 1ijj n ASN 492 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ijj n GLU 493 N 0.00 1.37 -0.02 -3.83 -0.58 -0.53 -4.54 120.64 112.50 1ijj n GLU 493 Ca 0.00 0.02 0.05 0.00 -0.42 0.00 0.00 57.16 56.81 1ijj n GLU 493 Cb 0.15 -1.36 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 1ijj n GLU 493 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ijj n LEU 494 N -2.66 0.00 -3.58 -4.62 4.77 0.17 -4.83 117.00 106.26 1ijj n LEU 494 Ca -0.25 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.53 1ijj n LEU 494 Cb 0.92 0.07 0.06 0.00 -2.33 0.00 0.00 43.42 42.13 1ijj n LEU 494 CO 0.26 0.07 -0.00 -2.11 -1.33 0.00 0.00 177.39 174.28 1ijj n ARG 495 N -2.12 -5.19 -4.54 3.23 -4.01 0.27 -4.96 116.66 99.33 1ijj n ARG 495 Ca -0.07 0.71 -0.25 0.00 -1.04 0.00 0.00 57.85 57.20 1ijj n ARG 495 Cb 0.51 -5.42 -0.09 0.00 -3.04 0.00 0.00 32.46 24.41 1ijj n ARG 495 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 1ijj s VAL 496 N -3.54 1.12 -0.42 8.89 -7.23 0.28 -4.92 120.40 114.58 1ijj s VAL 496 Ca 0.05 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.06 1ijj s VAL 496 Cb -0.01 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.36 1ijj s VAL 496 CO 0.78 0.00 0.35 0.00 -0.31 0.00 0.00 175.10 175.92 1ijj s ALA 497 N -3.12 3.47 0.36 1.32 0.00 -1.26 -3.76 121.76 118.77 1ijj s ALA 497 Ca 0.28 -1.70 0.05 0.00 0.00 0.00 0.00 51.96 50.59 1ijj s ALA 497 Cb 0.06 -2.95 0.72 0.00 0.00 0.00 0.00 23.12 20.95 1ijj s ALA 497 CO 0.14 -1.52 1.98 -1.00 0.00 0.00 0.00 175.76 175.35 1ijj h PRO 498 N 8.67 0.75 0.00 0.00 0.13 -1.92 -0.73 132.00 138.90 1ijj h PRO 498 Ca -0.27 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ijj h PRO 498 Cb 1.12 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ijj h PRO 498 CO 0.76 0.49 0.07 0.93 -0.23 0.00 0.00 178.00 180.03 1ijj h GLU 499 N 0.77 0.00 -1.08 0.86 3.07 -1.70 -2.65 114.58 113.85 1ijj h GLU 499 Ca 0.28 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.68 1ijj h GLU 499 Cb 0.15 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.64 1ijj h GLU 499 CO -0.08 0.00 -0.95 0.39 -1.40 0.00 0.00 179.01 176.96 1ijj n GLU 500 N -2.55 2.47 -3.17 2.33 1.02 -0.28 -3.93 120.64 116.52 1ijj n GLU 500 Ca -0.02 -3.90 0.02 0.00 -0.02 0.00 0.00 57.16 53.24 1ijj n GLU 500 Cb 0.12 -1.83 -0.01 0.00 -0.02 0.00 0.00 31.44 29.69 1ijj n GLU 500 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1ijj s HIS 501 N -3.45 -1.62 0.38 -0.32 3.76 -1.00 -4.88 115.29 108.17 1ijj s HIS 501 Ca 0.39 1.35 -0.27 0.00 -0.15 0.00 0.00 55.06 56.38 1ijj s HIS 501 Cb 0.41 0.40 -0.11 0.00 1.11 0.00 0.00 32.58 34.39 1ijj s HIS 501 CO -0.06 -0.95 1.29 -2.30 -0.85 0.00 0.00 174.74 171.87 1ijj n PRO 502 N 5.42 2.08 -4.89 8.40 -0.02 -1.26 -4.40 135.00 140.34 1ijj n PRO 502 Ca 0.01 0.73 -0.26 0.00 -2.02 0.00 0.00 63.50 61.96 1ijj n PRO 502 Cb 0.52 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.47 1ijj n PRO 502 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ijj s THR 503 N -1.14 1.49 -0.30 3.45 2.01 0.17 -0.66 115.64 120.66 1ijj s THR 503 Ca 0.58 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 1ijj s THR 503 Cb -0.54 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 70.71 1ijj s THR 503 CO 0.61 0.43 0.10 -0.22 -0.69 0.00 0.00 174.62 174.84 1ijj s LEU 504 N -0.10 3.90 0.01 4.42 2.96 0.54 -0.88 118.68 129.53 1ijj s LEU 504 Ca -0.01 -0.66 0.02 0.00 -0.22 0.00 0.00 54.13 53.26 1ijj s LEU 504 Cb -0.11 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1ijj s LEU 504 CO 0.02 -0.19 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.09 1ijj s LEU 505 N 1.53 3.49 0.46 -0.68 1.43 -0.61 0.10 118.68 124.41 1ijj s LEU 505 Ca 0.03 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1ijj s LEU 505 Cb -0.17 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1ijj s LEU 505 CO 0.03 0.27 0.69 0.42 0.23 0.00 0.00 176.35 177.99 1ijj s THR 506 N -1.11 4.06 0.18 5.49 -4.23 -0.86 -2.04 115.64 117.12 1ijj s THR 506 Ca 0.20 -0.41 -0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1ijj s THR 506 Cb -0.12 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 1ijj s THR 506 CO 0.11 -0.38 0.08 -0.70 -0.54 0.00 0.00 174.62 173.19 1ijj s GLU 507 N -4.59 1.11 0.08 3.99 2.12 0.17 -4.67 118.70 116.90 1ijj s GLU 507 Ca 0.48 -1.56 0.01 0.00 0.36 0.00 0.00 54.97 54.27 1ijj s GLU 507 Cb -0.10 0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1ijj s GLU 507 CO 0.39 -0.29 0.20 0.00 -0.54 0.00 0.00 175.26 175.02 1ijj s ALA 508 N -3.98 3.91 -0.09 6.30 0.00 -1.26 -2.08 121.76 124.55 1ijj s ALA 508 Ca 0.31 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 1ijj s ALA 508 Cb 0.07 -1.73 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 1ijj s ALA 508 CO 0.07 0.76 2.05 -2.30 0.00 0.00 0.00 175.76 176.33 1ijj n PRO 509 N 0.16 2.34 -1.30 0.00 -0.02 -1.26 -0.84 135.00 134.08 1ijj n PRO 509 Ca -0.06 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1ijj n PRO 509 Cb 0.52 -2.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 1ijj n PRO 509 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ijj n LEU 510 N 8.77 -0.40 -4.72 2.45 4.77 -1.26 -5.00 117.00 121.61 1ijj n LEU 510 Ca 0.25 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 1ijj n LEU 510 Cb 0.38 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1ijj n LEU 510 CO 0.69 0.00 1.35 0.21 -1.33 0.00 0.00 177.39 178.31 1ijj s ASN 511 N -2.90 6.42 0.32 -1.43 2.47 -0.02 -4.91 114.94 114.90 1ijj s ASN 511 Ca 0.00 2.82 -0.29 0.00 0.42 0.00 0.00 52.86 55.81 1ijj s ASN 511 Cb 0.00 -2.60 -0.11 0.00 -1.45 0.00 0.00 41.25 37.09 1ijj s ASN 511 CO 0.00 -0.95 1.47 -2.16 -3.72 0.00 0.00 177.10 171.74 1ijj s PRO 512 N 1.15 4.19 0.21 0.43 0.05 -1.26 -4.90 135.00 134.88 1ijj s PRO 512 Ca 0.74 2.45 -0.13 0.00 0.05 0.00 0.00 61.00 64.11 1ijj s PRO 512 Cb -0.49 -3.03 0.26 0.00 0.05 0.00 0.00 34.50 31.29 1ijj s PRO 512 CO 0.32 -0.47 1.63 0.87 0.05 0.00 0.00 177.00 179.41 1ijj h LYS 513 N 3.98 0.03 -0.37 4.56 1.57 -2.01 -0.79 116.57 123.54 1ijj h LYS 513 Ca -0.48 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1ijj h LYS 513 Cb 1.23 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1ijj h LYS 513 CO 0.71 0.02 0.04 0.00 -0.57 0.00 0.00 179.45 179.65 1ijj h ALA 514 N 1.62 0.37 -0.17 3.86 0.00 -1.99 -0.92 119.26 122.03 1ijj h ALA 514 Ca 0.31 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1ijj h ALA 514 Cb 0.49 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ijj h ALA 514 CO -0.62 -0.36 -0.12 -0.97 0.00 0.00 0.00 179.25 177.17 1ijj h ASN 515 N 0.15 -0.43 -0.56 0.00 -0.00 -1.52 0.24 115.58 113.47 1ijj h ASN 515 Ca 0.18 0.06 0.03 0.00 -0.00 0.00 0.00 56.30 56.57 1ijj h ASN 515 Cb 0.23 0.18 -0.03 0.00 -0.00 0.00 0.00 38.32 38.71 1ijj h ASN 515 CO -0.27 -0.06 0.37 -0.09 -0.00 0.00 0.00 177.43 177.38 1ijj h ARG 516 N -0.03 0.64 -0.79 6.67 2.43 -1.26 -0.92 114.38 121.12 1ijj h ARG 516 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1ijj h ARG 516 Cb 0.10 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 1ijj h ARG 516 CO -0.17 0.43 0.46 0.93 -1.51 0.00 0.00 179.97 180.11 1ijj h GLU 517 N 0.66 1.09 0.60 0.20 5.08 0.30 0.30 114.58 122.81 1ijj h GLU 517 Ca 0.22 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1ijj h GLU 517 Cb 0.06 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1ijj h GLU 517 CO -0.06 0.78 -0.40 0.87 -1.00 0.00 0.00 179.01 179.21 1ijj h LYS 518 N 1.09 -0.92 -0.60 2.33 1.79 0.25 0.22 116.57 120.73 1ijj h LYS 518 Ca 0.28 0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.87 1ijj h LYS 518 Cb -0.01 0.21 -0.07 0.00 -1.58 0.00 0.00 32.23 30.78 1ijj h LYS 518 CO -0.05 -0.61 -0.36 -0.12 -1.08 0.00 0.00 179.45 177.23 1ijj n MET 519 N -5.53 -0.27 0.00 3.15 0.00 -0.53 0.12 117.12 114.07 1ijj n MET 519 Ca -0.13 1.01 0.00 0.00 0.00 0.00 0.00 57.70 58.58 1ijj n MET 519 Cb 0.42 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.15 1ijj n MET 519 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1ijj n THR 520 N -4.57 0.00 -0.31 1.12 -1.04 0.97 -1.20 114.28 109.25 1ijj n THR 520 Ca 0.01 1.46 0.12 0.00 -2.04 0.00 0.00 64.05 63.60 1ijj n THR 520 Cb 0.16 -2.22 0.25 0.00 -1.82 0.00 0.00 70.33 66.69 1ijj n THR 520 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1ijj n GLN 521 N -2.32 -0.07 0.29 -2.82 7.27 0.72 -0.17 117.38 120.28 1ijj n GLN 521 Ca 0.00 1.33 -0.12 0.00 0.07 0.00 0.00 57.00 58.27 1ijj n GLN 521 Cb 0.00 -2.10 -0.06 0.00 2.41 0.00 0.00 30.24 30.50 1ijj n GLN 521 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1ijj h ILE 522 N 0.00 0.00 -0.78 1.69 2.04 0.15 -0.28 117.51 120.33 1ijj h ILE 522 Ca 0.52 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.51 1ijj h ILE 522 Cb 1.06 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.01 1ijj h ILE 522 CO -0.84 0.00 -0.28 0.23 0.00 0.00 0.00 178.15 177.27 1ijj n MET 523 N -4.17 -0.15 0.07 2.37 2.81 0.76 -1.19 117.12 117.62 1ijj n MET 523 Ca -0.09 1.21 -0.13 0.00 -1.81 0.00 0.00 57.70 56.87 1ijj n MET 523 Cb 0.31 -1.79 -0.09 0.00 -0.71 0.00 0.00 33.22 30.94 1ijj n MET 523 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1ijj h PHE 524 N 0.00 -0.19 0.03 2.03 -1.00 -1.22 -1.77 116.94 114.81 1ijj h PHE 524 Ca 0.30 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.07 1ijj h PHE 524 Cb 0.49 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1ijj h PHE 524 CO -0.66 0.18 -0.01 0.93 -1.61 0.00 0.00 178.31 177.13 1ijj h GLU 525 N -0.60 -0.04 -0.96 1.51 5.08 -0.26 0.55 114.58 119.86 1ijj h GLU 525 Ca -0.02 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.53 1ijj h GLU 525 Cb 0.46 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.63 1ijj h GLU 525 CO 0.03 -0.02 0.61 1.15 -1.00 0.00 0.00 179.01 179.78 1ijj h THR 526 N -0.14 0.70 -0.00 1.13 2.02 -1.33 -3.20 112.91 112.10 1ijj h THR 526 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1ijj h THR 526 Cb 0.03 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1ijj h THR 526 CO 0.01 0.11 -0.18 0.49 0.37 0.00 0.00 175.52 176.31 1ijj n PHE 527 N -4.63 0.00 -3.86 3.16 3.72 -0.90 -5.02 117.46 109.94 1ijj n PHE 527 Ca 0.21 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.33 1ijj n PHE 527 Cb 0.63 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.20 1ijj n PHE 527 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ijj n ASN 528 N -0.91 -4.58 -4.74 4.37 5.03 0.18 -3.41 115.26 111.21 1ijj n ASN 528 Ca 0.01 -0.76 -0.41 0.00 0.87 0.00 0.00 54.58 54.30 1ijj n ASN 528 Cb 0.08 -4.03 0.01 0.00 -1.02 0.00 0.00 39.78 34.81 1ijj n ASN 528 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1ijj n VAL 529 N -4.68 2.41 -0.24 2.41 0.24 -1.08 -4.06 118.33 113.33 1ijj n VAL 529 Ca 0.00 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 61.79 1ijj n VAL 529 Cb 0.55 -1.74 0.10 0.00 -1.47 0.00 0.00 33.84 31.28 1ijj n VAL 529 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1ijj h PRO 530 N 2.41 0.69 -3.24 7.34 0.13 -1.69 -3.41 132.00 134.23 1ijj h PRO 530 Ca -0.49 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 1ijj h PRO 530 Cb 1.27 -0.16 -0.14 0.00 0.13 0.00 0.00 31.00 32.10 1ijj h PRO 530 CO 0.62 0.46 -0.09 0.00 -0.23 0.00 0.00 178.00 178.76 1ijj s ALA 531 N -6.09 -0.96 0.21 -0.56 0.00 -1.26 0.12 121.76 113.22 1ijj s ALA 531 Ca -0.13 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 1ijj s ALA 531 Cb 0.16 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1ijj s ALA 531 CO 0.76 -0.56 0.19 1.41 0.00 0.00 0.00 175.76 177.56 1ijj s MET 532 N -3.25 1.28 0.04 0.00 1.75 -0.01 0.44 119.30 119.54 1ijj s MET 532 Ca -0.00 -1.58 -0.27 0.00 -1.25 0.00 0.00 55.69 52.58 1ijj s MET 532 Cb 0.01 0.31 0.08 0.00 2.84 0.00 0.00 34.83 38.06 1ijj s MET 532 CO -0.08 -0.44 0.68 -0.47 -0.65 0.00 0.00 175.02 174.06 1ijj s TYR 533 N -4.11 -0.57 -0.05 4.11 6.14 -0.06 -0.38 117.35 122.43 1ijj s TYR 533 Ca 0.36 0.68 -0.01 0.00 0.64 0.00 0.00 57.07 58.74 1ijj s TYR 533 Cb 0.06 0.49 0.03 0.00 0.42 0.00 0.00 41.96 42.95 1ijj s TYR 533 CO 0.12 -0.69 0.03 0.08 0.64 0.00 0.00 175.55 175.73 1ijj s VAL 534 N -2.45 0.11 0.20 3.14 1.01 -1.26 -1.57 120.40 119.58 1ijj s VAL 534 Ca -0.04 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.30 1ijj s VAL 534 Cb -0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1ijj s VAL 534 CO -0.02 0.20 -0.17 0.00 0.00 0.00 0.00 175.10 175.11 1ijj s ALA 535 N 1.93 2.16 -0.14 5.51 0.00 -0.87 -4.96 121.76 125.39 1ijj s ALA 535 Ca 0.03 -1.64 -0.26 0.00 0.00 0.00 0.00 51.96 50.09 1ijj s ALA 535 Cb -0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1ijj s ALA 535 CO -0.04 0.17 0.83 0.42 0.00 0.00 0.00 175.76 177.15 1ijj s ILE 536 N -2.55 4.90 0.09 0.00 1.01 -1.26 -0.66 121.20 122.73 1ijj s ILE 536 Ca 0.22 1.66 -0.21 0.00 0.00 0.00 0.00 60.65 62.32 1ijj s ILE 536 Cb -0.03 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 1ijj s ILE 536 CO 0.08 0.06 1.35 1.56 0.00 0.00 0.00 174.94 178.00 1ijj h GLN 537 N 7.20 -0.16 -0.99 2.79 4.20 -1.78 0.21 115.11 126.58 1ijj h GLN 537 Ca -0.32 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.59 1ijj h GLN 537 Cb 1.15 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.86 1ijj h GLN 537 CO 0.82 -0.11 0.61 0.00 -0.67 0.00 0.00 178.83 179.49 1ijj h ALA 538 N -0.34 1.72 0.23 3.87 0.00 -1.93 0.73 119.26 123.54 1ijj h ALA 538 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ijj h ALA 538 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ijj h ALA 538 CO -0.46 -0.07 -0.19 0.28 0.00 0.00 0.00 179.25 178.81 1ijj h VAL 539 N 0.75 0.59 -0.75 0.00 2.07 -1.03 -0.96 116.25 116.92 1ijj h VAL 539 Ca 0.56 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.19 1ijj h VAL 539 Cb 0.89 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 1ijj h VAL 539 CO -0.34 0.00 0.37 -0.07 0.02 0.00 0.00 177.57 177.55 1ijj h LEU 540 N -0.43 0.45 -1.07 2.57 3.38 0.17 0.32 115.31 120.70 1ijj h LEU 540 Ca -0.01 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1ijj h LEU 540 Cb 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1ijj h LEU 540 CO -0.02 0.23 0.62 0.28 0.09 0.00 0.00 178.44 179.64 1ijj h SER 541 N 0.59 0.89 0.01 -0.43 0.02 -0.16 -0.66 113.55 113.81 1ijj h SER 541 Ca 0.39 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1ijj h SER 541 Cb 0.48 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1ijj h SER 541 CO -0.31 0.49 -0.00 0.25 -1.14 0.00 0.00 176.83 176.11 1ijj h LEU 542 N 0.96 -0.01 -0.82 5.07 5.85 0.88 -3.02 115.31 124.22 1ijj h LEU 542 Ca 0.47 -0.44 0.13 0.00 0.84 0.00 0.00 57.88 58.87 1ijj h LEU 542 Cb 0.47 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 1ijj h LEU 542 CO -0.23 0.44 0.43 1.88 -0.34 0.00 0.00 178.44 180.62 1ijj h TYR 543 N -0.46 0.77 0.00 1.25 -1.99 -0.70 0.20 116.97 116.04 1ijj h TYR 543 Ca -0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1ijj h TYR 543 Cb 0.45 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1ijj h TYR 543 CO 0.08 0.23 0.00 0.00 -0.00 0.00 0.00 178.16 178.47 1ijj n ALA 544 N -2.41 1.73 -0.20 3.88 0.00 -0.29 -0.94 120.51 122.28 1ijj n ALA 544 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1ijj n ALA 544 Cb 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1ijj n ALA 544 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ijj n SER 545 N 0.22 0.19 0.00 0.00 3.41 0.68 -4.93 113.62 113.19 1ijj n SER 545 Ca 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1ijj n SER 545 Cb 0.11 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1ijj n SER 545 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ijj n GLY 546 N 0.30 3.08 3.37 5.00 0.00 -0.12 -5.05 105.19 111.78 1ijj n GLY 546 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 1ijj n GLY 546 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ijj n ARG 547 N 0.00 -0.05 0.00 1.61 3.00 -1.23 -4.87 116.66 115.12 1ijj n ARG 547 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.87 1ijj n ARG 547 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 30.75 1ijj n ARG 547 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1ijj n THR 548 N -2.99 0.00 -3.95 0.55 5.66 -1.26 -3.84 114.28 108.46 1ijj n THR 548 Ca 0.07 -0.08 -0.10 0.00 -3.05 0.00 0.00 64.05 60.89 1ijj n THR 548 Cb 0.52 0.49 -0.12 0.00 -1.55 0.00 0.00 70.33 69.68 1ijj n THR 548 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1ijj s THR 549 N -1.12 0.08 -5.00 1.09 2.01 -1.24 0.30 115.64 111.76 1ijj s THR 549 Ca 0.00 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1ijj s THR 549 Cb 0.00 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.30 1ijj s THR 549 CO 0.00 -0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.17 1ijj n GLY 550 N 1.95 -0.56 2.71 4.40 0.00 0.93 -4.94 105.19 109.67 1ijj n GLY 550 Ca -0.21 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 1ijj n GLY 550 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ijj s ILE 551 N -2.98 -0.15 0.10 -0.61 2.07 -0.01 0.14 121.20 119.75 1ijj s ILE 551 Ca 0.00 0.34 -0.10 0.00 -1.41 0.00 0.00 60.65 59.49 1ijj s ILE 551 Cb 0.00 -0.24 -0.06 0.00 0.13 0.00 0.00 42.46 42.29 1ijj s ILE 551 CO 0.00 0.12 0.42 -0.69 -1.91 0.00 0.00 174.94 172.88 1ijj s VAL 552 N 2.20 5.06 -0.20 4.00 1.01 0.13 -0.46 120.40 132.14 1ijj s VAL 552 Ca 0.04 0.45 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1ijj s VAL 552 Cb -0.12 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1ijj s VAL 552 CO -0.04 0.24 -0.13 -0.22 0.00 0.00 0.00 175.10 174.94 1ijj s LEU 553 N -2.05 2.53 -0.30 3.92 2.96 0.55 -1.04 118.68 125.25 1ijj s LEU 553 Ca 0.35 -0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1ijj s LEU 553 Cb -0.14 -1.59 0.10 0.00 0.50 0.00 0.00 46.19 45.06 1ijj s LEU 553 CO 0.19 -0.02 0.08 -0.62 -1.32 0.00 0.00 176.35 174.66 1ijj s ASP 554 N 1.36 4.03 -0.39 3.68 -1.08 -0.94 0.36 116.67 123.68 1ijj s ASP 554 Ca 0.05 -1.62 -0.01 0.00 -0.52 0.00 0.00 52.55 50.45 1ijj s ASP 554 Cb -0.14 -0.94 0.11 0.00 -1.46 0.00 0.00 42.92 40.49 1ijj s ASP 554 CO -0.09 -0.40 0.17 -0.55 0.52 0.00 0.00 175.17 174.83 1ijj s SER 555 N 1.55 5.13 0.00 -0.34 0.15 -0.78 -0.32 113.70 119.09 1ijj s SER 555 Ca 0.08 -2.08 0.00 0.00 0.70 0.00 0.00 55.95 54.66 1ijj s SER 555 Cb -0.17 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1ijj s SER 555 CO -0.21 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1ijj n GLY 556 N 4.49 0.63 0.12 9.45 0.00 -1.01 -1.15 105.19 117.73 1ijj n GLY 556 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1ijj n GLY 556 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ijj n ASP 557 N 0.00 2.53 -0.66 1.61 2.03 -1.26 -2.72 116.55 118.08 1ijj n ASP 557 Ca 0.00 -0.06 0.08 0.00 0.52 0.00 0.00 54.79 55.33 1ijj n ASP 557 Cb 0.00 -0.30 0.07 0.00 -0.72 0.00 0.00 41.12 40.18 1ijj n ASP 557 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ijj n GLY 558 N 2.60 0.28 0.00 0.27 0.00 -1.26 -2.23 105.19 104.85 1ijj n GLY 558 Ca -0.31 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1ijj n GLY 558 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ijj n VAL 559 N 0.92 0.00 -4.18 1.61 3.14 -1.26 -3.77 118.33 114.79 1ijj n VAL 559 Ca 0.10 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.13 1ijj n VAL 559 Cb 0.41 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.05 1ijj n VAL 559 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1ijj s THR 560 N -1.61 3.39 0.33 1.55 2.01 -1.03 -2.39 115.64 117.89 1ijj s THR 560 Ca 0.00 -0.51 0.10 0.00 0.31 0.00 0.00 61.69 61.60 1ijj s THR 560 Cb 0.00 -2.51 -0.06 0.00 0.01 0.00 0.00 72.50 69.94 1ijj s THR 560 CO 0.00 0.46 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.28 1ijj s HIS 561 N 1.04 2.39 -0.23 4.92 3.76 0.56 -2.12 115.29 125.62 1ijj s HIS 561 Ca 0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1ijj s HIS 561 Cb -0.15 -1.29 0.06 0.00 1.11 0.00 0.00 32.58 32.32 1ijj s HIS 561 CO -0.00 0.61 -0.04 -0.80 -0.85 0.00 0.00 174.74 173.66 1ijj s ASN 562 N -3.59 3.78 -0.25 1.40 0.01 0.39 -2.22 114.94 114.45 1ijj s ASN 562 Ca 0.32 -1.16 0.00 0.00 -0.71 0.00 0.00 52.86 51.31 1ijj s ASN 562 Cb 0.00 -1.12 0.07 0.00 0.41 0.00 0.00 41.25 40.61 1ijj s ASN 562 CO 0.16 -0.25 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.80 1ijj s VAL 563 N 1.44 1.41 0.17 1.60 1.01 -0.20 -1.60 120.40 124.23 1ijj s VAL 563 Ca -0.05 -1.26 -0.21 0.00 0.00 0.00 0.00 61.98 60.46 1ijj s VAL 563 Cb -0.19 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.34 1ijj s VAL 563 CO -0.07 -0.21 0.70 -2.16 0.00 0.00 0.00 175.10 173.36 1ijj s PRO 564 N 1.43 4.33 -0.04 2.72 0.04 -1.26 0.22 135.00 142.43 1ijj s PRO 564 Ca -0.02 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1ijj s PRO 564 Cb -0.19 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.31 1ijj s PRO 564 CO -0.09 0.50 -0.01 0.42 0.04 0.00 0.00 177.00 177.87 1ijj s ILE 565 N -1.32 0.33 -0.10 0.56 1.01 0.36 -1.51 121.20 120.53 1ijj s ILE 565 Ca 0.38 0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.08 1ijj s ILE 565 Cb -0.19 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 1ijj s ILE 565 CO 0.22 0.20 -0.16 -0.47 0.00 0.00 0.00 174.94 174.73 1ijj s TYR 566 N 1.22 2.72 -1.50 3.97 6.04 0.48 -0.05 117.35 130.23 1ijj s TYR 566 Ca -0.07 -0.58 -0.14 0.00 0.04 0.00 0.00 57.07 56.32 1ijj s TYR 566 Cb -0.13 -1.75 0.12 0.00 -1.04 0.00 0.00 41.96 39.15 1ijj s TYR 566 CO -0.02 -0.14 0.68 0.39 -1.54 0.00 0.00 175.55 174.93 1ijj n GLU 567 N 3.17 -3.48 -1.93 4.97 1.02 -1.12 0.10 120.64 123.36 1ijj n GLU 567 Ca -0.18 0.42 -0.03 0.00 -0.02 0.00 0.00 57.16 57.35 1ijj n GLU 567 Cb 0.53 -5.16 -0.00 0.00 -0.02 0.00 0.00 31.44 26.78 1ijj n GLU 567 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ijj n GLY 568 N -1.32 0.29 3.11 0.62 0.00 0.89 -4.97 105.19 103.81 1ijj n GLY 568 Ca 0.04 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 1ijj n GLY 568 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ijj s TYR 569 N -2.16 1.65 0.39 1.61 5.04 0.28 -5.08 117.35 119.10 1ijj s TYR 569 Ca 0.00 -0.51 -0.24 0.00 -2.44 0.00 0.00 57.07 53.89 1ijj s TYR 569 Cb 0.00 -1.13 -0.09 0.00 0.35 0.00 0.00 41.96 41.08 1ijj s TYR 569 CO 0.00 -0.19 1.01 0.00 -1.34 0.00 0.00 175.55 175.02 1ijj s ALA 570 N 0.17 3.09 -0.67 3.97 0.00 -1.26 0.18 121.76 127.24 1ijj s ALA 570 Ca -0.06 0.60 -0.06 0.00 0.00 0.00 0.00 51.96 52.44 1ijj s ALA 570 Cb -0.12 -3.23 0.17 0.00 0.00 0.00 0.00 23.12 19.94 1ijj s ALA 570 CO 0.03 -0.07 0.52 -0.51 0.00 0.00 0.00 175.76 175.73 1ijj s LEU 571 N -2.66 5.65 0.21 0.00 1.43 -0.57 -4.87 118.68 117.88 1ijj s LEU 571 Ca 0.57 -2.76 -0.10 0.00 -1.03 0.00 0.00 54.13 50.81 1ijj s LEU 571 Cb -0.18 -1.95 0.29 0.00 0.03 0.00 0.00 46.19 44.37 1ijj s LEU 571 CO 0.24 -0.44 1.29 -0.81 0.23 0.00 0.00 176.35 176.85 1ijj n PRO 572 N 3.69 -0.13 -0.26 1.29 -0.04 -1.26 -1.18 135.00 137.10 1ijj n PRO 572 Ca 0.08 1.28 -0.03 0.00 -0.04 0.00 0.00 63.50 64.80 1ijj n PRO 572 Cb 0.40 -1.91 0.14 0.00 -0.04 0.00 0.00 33.50 32.09 1ijj n PRO 572 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1ijj h HIS 573 N 0.00 1.10 -1.44 0.54 2.07 -1.96 -3.21 115.15 112.25 1ijj h HIS 573 Ca 0.34 -0.04 -0.67 0.00 -2.85 0.00 0.00 60.37 57.15 1ijj h HIS 573 Cb 0.55 -0.35 -0.26 0.00 2.57 0.00 0.00 27.41 29.93 1ijj h HIS 573 CO -0.68 0.79 0.88 0.00 -3.07 0.00 0.00 177.93 175.85 1ijj n ALA 574 N -2.43 6.36 -3.12 6.11 0.00 -0.32 -4.92 120.51 122.19 1ijj n ALA 574 Ca 0.08 -3.60 -0.34 0.00 0.00 0.00 0.00 53.44 49.58 1ijj n ALA 574 Cb 0.13 -1.90 -0.13 0.00 0.00 0.00 0.00 19.45 17.56 1ijj n ALA 574 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ijj s ILE 575 N -4.46 3.75 -0.16 0.00 1.01 -1.22 -4.39 121.20 115.73 1ijj s ILE 575 Ca 0.56 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 1ijj s ILE 575 Cb 0.44 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1ijj s ILE 575 CO -0.23 0.46 0.04 -0.04 0.00 0.00 0.00 174.94 175.17 1ijj s MET 576 N 0.82 3.79 0.08 2.79 -1.94 -0.62 -4.95 119.30 119.27 1ijj s MET 576 Ca -0.01 -0.36 0.07 0.00 -1.71 0.00 0.00 55.69 53.68 1ijj s MET 576 Cb -0.14 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 1ijj s MET 576 CO 0.02 0.35 -0.15 0.50 -0.01 0.00 0.00 175.02 175.72 1ijj s ARG 577 N 0.14 2.03 -0.24 2.03 3.52 -1.26 -0.46 118.95 124.71 1ijj s ARG 577 Ca 0.04 -1.04 -0.04 0.00 -0.13 0.00 0.00 55.73 54.56 1ijj s ARG 577 Cb -0.12 -2.21 0.13 0.00 -1.56 0.00 0.00 34.95 31.18 1ijj s ARG 577 CO 0.01 0.52 0.41 -1.17 -0.81 0.00 0.00 175.30 174.26 1ijj s LEU 578 N -1.84 -0.71 0.00 -0.88 2.96 -0.90 -5.01 118.68 112.29 1ijj s LEU 578 Ca 0.17 0.55 0.14 0.00 -0.22 0.00 0.00 54.13 54.78 1ijj s LEU 578 Cb -0.11 1.30 0.86 0.00 0.50 0.00 0.00 46.19 48.74 1ijj s LEU 578 CO 0.09 -0.27 1.27 0.47 -1.32 0.00 0.00 176.35 176.59 1ijj n ASP 579 N 5.38 0.00 -4.70 3.68 8.00 -1.26 -2.48 116.55 125.18 1ijj n ASP 579 Ca -0.05 -0.50 -0.42 0.00 0.71 0.00 0.00 54.79 54.53 1ijj n ASP 579 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 1ijj n ASP 579 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ijj s LEU 580 N -1.95 4.31 0.00 0.64 2.96 -1.26 -4.70 118.68 118.68 1ijj s LEU 580 Ca 0.22 1.62 0.00 0.00 -0.22 0.00 0.00 54.13 55.75 1ijj s LEU 580 Cb 0.10 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1ijj s LEU 580 CO 0.17 -0.38 0.00 0.00 -1.32 0.00 0.00 176.35 174.82 1ijj n ALA 581 N 4.51 0.00 -0.04 5.97 0.00 -1.26 -3.65 120.51 126.04 1ijj n ALA 581 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 1ijj n ALA 581 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 1ijj n ALA 581 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ijj h GLY 582 N 0.00 0.06 0.26 0.00 0.00 -1.42 -3.12 103.07 98.84 1ijj h GLY 582 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1ijj h GLY 582 CO 0.00 0.08 0.00 -2.13 0.00 0.00 0.00 176.54 174.49 1ijj n ARG 583 N -4.68 0.76 -0.03 4.80 0.63 -0.95 -0.89 116.66 116.30 1ijj n ARG 583 Ca -0.09 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.85 1ijj n ARG 583 Cb 0.39 -1.13 -0.08 0.00 0.45 0.00 0.00 32.46 32.09 1ijj n ARG 583 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ijj n ASP 584 N -0.63 2.46 0.13 6.15 9.92 -1.23 -3.20 116.55 130.15 1ijj n ASP 584 Ca 0.05 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.38 1ijj n ASP 584 Cb 0.02 1.17 0.04 0.00 -0.64 0.00 0.00 41.12 41.71 1ijj n ASP 584 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1ijj h LEU 585 N 0.00 0.00 -0.02 0.64 3.38 -1.38 -2.26 115.31 115.68 1ijj h LEU 585 Ca -0.12 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 1ijj h LEU 585 Cb 1.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1ijj h LEU 585 CO 0.01 0.22 -0.92 0.74 0.09 0.00 0.00 178.44 178.57 1ijj h THR 586 N 0.00 1.59 0.04 0.22 2.02 -1.14 -2.50 112.91 113.13 1ijj h THR 586 Ca -0.03 -3.23 -0.32 0.00 0.77 0.00 0.00 66.41 63.60 1ijj h THR 586 Cb 1.19 2.77 -0.04 0.00 -1.74 0.00 0.00 68.15 70.33 1ijj h THR 586 CO 0.02 0.90 -1.83 0.47 0.37 0.00 0.00 175.52 175.46 1ijj n ASP 587 N -3.34 1.20 -0.14 4.18 10.43 -1.19 -3.45 116.55 124.24 1ijj n ASP 587 Ca 0.00 0.33 0.05 0.00 2.57 0.00 0.00 54.79 57.74 1ijj n ASP 587 Cb 0.90 -0.25 0.35 0.00 1.84 0.00 0.00 41.12 43.97 1ijj n ASP 587 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1ijj h TYR 588 N 0.02 0.73 0.37 1.24 3.20 -1.46 -2.23 116.97 118.83 1ijj h TYR 588 Ca -0.34 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.53 1ijj h TYR 588 Cb 2.03 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 40.06 1ijj h TYR 588 CO 0.02 0.42 -0.18 1.25 -1.64 0.00 0.00 178.16 178.03 1ijj h LEU 589 N 0.75 -0.42 -1.72 2.82 5.85 -1.55 -1.31 115.31 119.73 1ijj h LEU 589 Ca 0.26 -0.14 0.50 0.00 0.84 0.00 0.00 57.88 59.34 1ijj h LEU 589 Cb 0.10 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1ijj h LEU 589 CO -0.07 -0.01 1.24 0.23 -0.34 0.00 0.00 178.44 179.48 1ijj n MET 590 N -5.15 -0.00 -0.09 1.25 2.81 -0.87 -0.14 117.12 114.93 1ijj n MET 590 Ca -0.09 0.96 -0.13 0.00 -1.81 0.00 0.00 57.70 56.63 1ijj n MET 590 Cb 0.28 -2.20 -0.05 0.00 -0.71 0.00 0.00 33.22 30.54 1ijj n MET 590 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ijj n LYS 591 N -3.71 0.52 0.00 0.03 4.81 -1.04 -2.90 118.16 115.87 1ijj n LYS 591 Ca 0.39 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 1ijj n LYS 591 Cb 1.76 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 35.21 1ijj n LYS 591 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1ijj n ILE 592 N -4.48 0.00 0.13 3.15 -6.64 -0.50 0.68 119.36 111.69 1ijj n ILE 592 Ca -0.21 0.00 0.04 0.00 -1.77 0.00 0.00 62.75 60.81 1ijj n ILE 592 Cb 0.51 -0.28 -0.06 0.00 -1.44 0.00 0.00 39.64 38.37 1ijj n ILE 592 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 1ijj n LEU 593 N -0.46 0.13 -0.86 7.28 7.94 0.80 -4.19 117.00 127.64 1ijj n LEU 593 Ca 0.00 -0.17 0.12 0.00 -1.11 0.00 0.00 56.01 54.85 1ijj n LEU 593 Cb 0.01 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.16 1ijj n LEU 593 CO 0.00 0.03 0.69 1.07 -1.11 0.00 0.00 177.39 178.08 1ijj n THR 594 N -1.59 0.04 0.05 1.96 5.66 0.21 -3.98 114.28 116.64 1ijj n THR 594 Ca -0.00 -0.46 -0.07 0.00 -3.05 0.00 0.00 64.05 60.47 1ijj n THR 594 Cb 0.19 1.21 -0.05 0.00 -1.55 0.00 0.00 70.33 70.14 1ijj n THR 594 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1ijj h GLU 595 N 4.11 -0.22 0.00 1.09 4.39 -1.54 -2.84 114.58 119.58 1ijj h GLU 595 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ijj h GLU 595 Cb 0.88 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1ijj h GLU 595 CO 0.00 0.05 0.01 -2.13 -1.16 0.00 0.00 179.01 175.77 1ijj n ARG 596 N -4.91 0.00 0.00 2.33 3.00 -1.26 -4.81 116.66 111.01 1ijj n ARG 596 Ca -0.05 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 1ijj n ARG 596 Cb 0.18 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.14 1ijj n ARG 596 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ijj n GLY 597 N -1.07 2.92 3.49 5.14 0.00 -1.07 -5.12 105.19 109.48 1ijj n GLY 597 Ca 0.00 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 1ijj n GLY 597 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ijj n TYR 598 N 0.00 -0.33 -3.62 1.61 4.02 -1.26 -4.80 117.16 112.78 1ijj n TYR 598 Ca 0.00 0.47 -0.36 0.00 -0.01 0.00 0.00 57.90 58.00 1ijj n TYR 598 Cb 0.00 -2.00 -0.07 0.00 -0.02 0.00 0.00 39.34 37.25 1ijj n TYR 598 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1ijj s SER 599 N -1.11 6.43 -0.33 7.72 0.01 -1.26 -3.61 113.70 121.54 1ijj s SER 599 Ca 0.68 0.50 0.17 0.00 1.31 0.00 0.00 55.95 58.61 1ijj s SER 599 Cb -0.47 -2.16 0.44 0.00 0.21 0.00 0.00 66.02 64.05 1ijj s SER 599 CO 0.54 0.19 0.92 0.49 0.41 0.00 0.00 173.24 175.79 1ijj n PHE 600 N 3.12 1.05 -2.63 2.43 3.01 -1.26 -5.00 117.46 118.17 1ijj n PHE 600 Ca -0.14 -2.94 -0.27 0.00 1.01 0.00 0.00 57.45 55.10 1ijj n PHE 600 Cb 0.52 -0.38 -0.01 0.00 -0.01 0.00 0.00 39.48 39.60 1ijj n PHE 600 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1ijj n VAL 601 N -0.02 2.67 -4.07 -4.37 0.24 -1.26 -4.47 118.33 107.06 1ijj n VAL 601 Ca 0.12 -5.16 -0.13 0.00 -2.04 0.00 0.00 64.34 57.13 1ijj n VAL 601 Cb 0.79 -1.32 -0.11 0.00 -1.47 0.00 0.00 33.84 31.74 1ijj n VAL 601 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1ijj s THR 602 N -5.16 0.59 0.62 3.34 -1.32 -1.26 -4.98 115.64 107.46 1ijj s THR 602 Ca 0.48 -1.14 0.29 0.00 -1.21 0.00 0.00 61.69 60.11 1ijj s THR 602 Cb 0.36 -0.70 0.35 0.00 -1.51 0.00 0.00 72.50 71.00 1ijj s THR 602 CO -0.18 -0.40 1.91 0.71 -2.21 0.00 0.00 174.62 174.46 1ijj h THR 603 N 4.40 0.24 -0.02 5.08 1.35 -2.00 0.84 112.91 122.80 1ijj h THR 603 Ca -0.36 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.24 1ijj h THR 603 Cb 1.20 0.65 0.02 0.00 -1.73 0.00 0.00 68.15 68.28 1ijj h THR 603 CO 0.42 0.00 -0.99 0.00 -0.25 0.00 0.00 175.52 174.69 1ijj h ALA 604 N 1.42 0.19 0.00 6.62 0.00 -1.97 -3.05 119.26 122.47 1ijj h ALA 604 Ca 0.12 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 1ijj h ALA 604 Cb 0.95 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ijj h ALA 604 CO -0.00 0.70 -0.45 1.05 0.00 0.00 0.00 179.25 180.55 1ijj h GLU 605 N 0.40 0.00 0.00 0.00 -0.00 -1.19 -3.23 114.58 110.56 1ijj h GLU 605 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 1ijj h GLU 605 Cb 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.39 1ijj h GLU 605 CO 0.19 0.45 0.00 -2.13 -0.00 0.00 0.00 179.01 177.53 1ijj n ARG 606 N -3.57 0.00 0.21 1.06 0.63 -0.65 0.72 116.66 115.06 1ijj n ARG 606 Ca -0.00 0.48 0.02 0.00 -0.92 0.00 0.00 57.85 57.43 1ijj n ARG 606 Cb 0.56 -1.43 0.09 0.00 0.45 0.00 0.00 32.46 32.13 1ijj n ARG 606 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1ijj h GLU 607 N 0.00 0.00 0.00 -0.14 4.39 -1.61 0.27 114.58 117.49 1ijj h GLU 607 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ijj h GLU 607 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ijj h GLU 607 CO 0.00 0.00 -0.45 -0.89 -1.16 0.00 0.00 179.01 176.51 1ijj n ILE 608 N -2.03 0.94 0.28 3.13 2.08 -0.95 -3.09 119.36 119.73 1ijj n ILE 608 Ca -0.00 0.30 0.11 0.00 0.56 0.00 0.00 62.75 63.71 1ijj n ILE 608 Cb 0.73 -2.07 0.47 0.00 -0.75 0.00 0.00 39.64 38.02 1ijj n ILE 608 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 1ijj h VAL 609 N -0.65 0.03 0.02 1.39 3.04 0.23 0.55 116.25 120.87 1ijj h VAL 609 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1ijj h VAL 609 Cb 0.45 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 1ijj h VAL 609 CO 0.00 0.00 -0.01 -0.09 -1.01 0.00 0.00 177.57 176.46 1ijj h ARG 610 N 0.00 -0.03 0.00 4.17 2.43 -0.73 -2.80 114.38 117.43 1ijj h ARG 610 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ijj h ARG 610 Cb 1.35 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1ijj h ARG 610 CO -0.00 0.68 0.00 0.22 -1.51 0.00 0.00 179.97 179.36 1ijj h ASP 611 N -0.93 0.00 0.59 -3.80 1.82 0.09 0.45 116.42 114.64 1ijj h ASP 611 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1ijj h ASP 611 Cb 0.73 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.74 1ijj h ASP 611 CO 0.01 0.00 -0.28 0.40 -1.61 0.00 0.00 179.24 177.75 1ijj h ILE 612 N 0.00 0.00 -0.05 2.25 2.04 -0.97 -3.14 117.51 117.63 1ijj h ILE 612 Ca 0.00 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1ijj h ILE 612 Cb 0.01 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 1ijj h ILE 612 CO 0.00 0.00 -0.17 0.11 0.00 0.00 0.00 178.15 178.09 1ijj h LYS 613 N -1.21 -0.17 -0.54 2.37 1.57 -0.69 0.12 116.57 118.02 1ijj h LYS 613 Ca -0.08 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1ijj h LYS 613 Cb 0.61 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 1ijj h LYS 613 CO 0.13 -0.11 -0.29 0.39 -0.57 0.00 0.00 179.45 179.00 1ijj n GLU 614 N -3.46 -0.21 0.04 3.15 1.02 -0.42 -0.66 120.64 120.09 1ijj n GLU 614 Ca -0.02 0.81 -0.04 0.00 -0.02 0.00 0.00 57.16 57.90 1ijj n GLU 614 Cb 0.12 -1.20 -0.09 0.00 -0.02 0.00 0.00 31.44 30.25 1ijj n GLU 614 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1ijj h LYS 615 N 0.00 0.00 0.00 3.49 1.63 -1.46 -3.45 116.57 116.78 1ijj h LYS 615 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1ijj h LYS 615 Cb 0.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1ijj h LYS 615 CO -0.51 0.52 0.00 1.28 -3.45 0.00 0.00 179.45 177.29 1ijj n LEU 616 N -3.07 0.00 -2.91 5.20 4.77 0.40 -4.98 117.00 116.40 1ijj n LEU 616 Ca -0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 1ijj n LEU 616 Cb 0.91 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.01 1ijj n LEU 616 CO 0.44 0.00 -0.44 0.00 -1.33 0.00 0.00 177.39 176.06 1ijj n TYR 618 N -1.03 -0.12 -3.91 0.00 -0.00 -1.23 -4.81 117.16 106.06 1ijj n TYR 618 Ca 0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.59 1ijj n TYR 618 Cb 0.32 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.60 1ijj n TYR 618 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1ijj s VAL 619 N -2.05 5.40 -0.02 -3.48 1.01 -1.14 -3.02 120.40 117.10 1ijj s VAL 619 Ca 0.00 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 1ijj s VAL 619 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1ijj s VAL 619 CO 0.00 0.61 0.73 0.00 0.00 0.00 0.00 175.10 176.44 1ijj s ALA 620 N -0.94 3.34 -0.02 5.51 0.00 -1.26 -4.88 121.76 123.52 1ijj s ALA 620 Ca 0.14 0.20 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 1ijj s ALA 620 Cb -0.12 -2.98 -0.22 0.00 0.00 0.00 0.00 23.12 19.80 1ijj s ALA 620 CO 0.04 -0.05 1.11 1.25 0.00 0.00 0.00 175.76 178.11 1ijj h LEU 621 N 6.37 0.36 -8.14 0.00 5.85 -1.97 -3.43 115.31 114.36 1ijj h LEU 621 Ca -0.42 -0.72 -0.64 0.00 0.84 0.00 0.00 57.88 56.95 1ijj h LEU 621 Cb 1.20 -0.11 -0.34 0.00 0.37 0.00 0.00 40.66 41.78 1ijj h LEU 621 CO 0.74 1.03 -0.86 -0.62 -0.34 0.00 0.00 178.44 178.38 1ijj s ASP 622 N -6.43 2.81 0.00 1.25 -1.08 -1.26 -4.87 116.67 107.09 1ijj s ASP 622 Ca -0.15 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 1ijj s ASP 622 Cb 0.03 -1.29 0.00 0.00 -1.46 0.00 0.00 42.92 40.20 1ijj s ASP 622 CO 0.77 0.06 0.00 0.33 0.52 0.00 0.00 175.17 176.85 1ijj n PHE 623 N 4.05 0.00 -0.38 -5.34 7.35 -1.26 -3.55 117.46 118.33 1ijj n PHE 623 Ca -0.20 0.00 0.30 0.00 -0.76 0.00 0.00 57.45 56.79 1ijj n PHE 623 Cb 0.52 0.00 0.57 0.00 0.35 0.00 0.00 39.48 40.91 1ijj n PHE 623 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1ijj h GLU 624 N 0.00 0.22 0.00 -4.13 4.57 -1.99 1.10 114.58 114.35 1ijj h GLU 624 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ijj h GLU 624 Cb 0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1ijj h GLU 624 CO 0.00 0.14 0.00 -1.71 -1.18 0.00 0.00 179.01 176.26 1ijj n ASN 625 N -4.78 0.00 -0.00 1.04 2.85 -1.26 -2.16 115.26 110.94 1ijj n ASN 625 Ca 0.33 0.07 -0.01 0.00 -0.11 0.00 0.00 54.58 54.86 1ijj n ASN 625 Cb 1.17 -0.19 -0.00 0.00 1.24 0.00 0.00 39.78 41.99 1ijj n ASN 625 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1ijj n GLU 626 N -1.19 0.02 0.03 1.20 1.02 0.38 -4.15 120.64 117.94 1ijj n GLU 626 Ca 0.03 0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.20 1ijj n GLU 626 Cb 0.04 -0.62 0.08 0.00 -0.02 0.00 0.00 31.44 30.91 1ijj n GLU 626 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1ijj n MET 627 N -2.95 0.02 -0.04 3.49 1.56 -0.88 -0.97 117.12 117.35 1ijj n MET 627 Ca -0.02 0.45 -0.01 0.00 -0.27 0.00 0.00 57.70 57.85 1ijj n MET 627 Cb 0.51 -1.65 -0.00 0.00 2.15 0.00 0.00 33.22 34.23 1ijj n MET 627 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ijj h ALA 628 N 1.67 0.00 0.00 -5.12 0.00 -1.66 -3.21 119.26 110.94 1ijj h ALA 628 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ijj h ALA 628 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ijj h ALA 628 CO 0.00 0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.57 1ijj n THR 629 N -4.12 0.00 0.03 0.00 -2.24 -0.14 0.13 114.28 107.93 1ijj n THR 629 Ca -0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.85 1ijj n THR 629 Cb 0.04 -0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 67.37 1ijj n THR 629 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ijj n ALA 630 N -0.87 2.45 0.11 6.98 0.00 -0.26 -3.71 120.51 125.22 1ijj n ALA 630 Ca 0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 53.44 52.98 1ijj n ALA 630 Cb 0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1ijj n ALA 630 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ijj h ALA 631 N 1.83 0.59 -1.40 0.00 0.00 0.10 -3.25 119.26 117.13 1ijj h ALA 631 Ca -0.07 -0.62 -0.78 0.00 0.00 0.00 0.00 54.91 53.44 1ijj h ALA 631 Cb 1.19 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.63 1ijj h ALA 631 CO 0.01 0.83 0.82 0.43 0.00 0.00 0.00 179.25 181.34 1ijj n SER 632 N -3.23 6.98 -2.17 0.00 7.64 -1.09 -4.91 113.62 116.84 1ijj n SER 632 Ca 0.00 -3.68 -0.01 0.00 1.01 0.00 0.00 58.87 56.19 1ijj n SER 632 Cb 0.80 -1.09 -0.01 0.00 -1.01 0.00 0.00 64.21 62.90 1ijj n SER 632 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ijj n SER 633 N -0.06 0.85 0.06 6.43 3.41 -1.23 -4.31 113.62 118.78 1ijj n SER 633 Ca 0.45 -1.44 0.01 0.00 -0.26 0.00 0.00 58.87 57.62 1ijj n SER 633 Cb 0.28 -0.21 0.33 0.00 -0.26 0.00 0.00 64.21 64.35 1ijj n SER 633 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ijj h SER 634 N 4.52 0.35 0.00 4.04 4.64 -1.91 -3.45 113.55 121.75 1ijj h SER 634 Ca 0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1ijj h SER 634 Cb 0.20 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ijj h SER 634 CO 0.23 0.49 0.00 -1.54 -0.87 0.00 0.00 176.83 175.14 1ijj n SER 635 N -4.25 0.00 -4.54 4.97 3.41 -1.26 -5.05 113.62 106.89 1ijj n SER 635 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1ijj n SER 635 Cb 0.28 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 1ijj n SER 635 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ijj n LEU 636 N -1.85 1.30 -2.66 1.04 4.77 -1.26 -4.69 117.00 113.65 1ijj n LEU 636 Ca 0.00 -1.88 -0.03 0.00 -0.03 0.00 0.00 56.01 54.07 1ijj n LEU 636 Cb 0.00 -1.61 0.05 0.00 -2.33 0.00 0.00 43.42 39.53 1ijj n LEU 636 CO 0.00 -3.01 0.56 -1.84 -1.33 0.00 0.00 177.39 171.77 1ijj n GLU 637 N 8.20 0.05 -0.70 3.23 0.00 -1.26 -4.89 120.64 125.27 1ijj n GLU 637 Ca 0.43 -0.63 -0.23 0.00 0.00 0.00 0.00 57.16 56.74 1ijj n GLU 637 Cb 0.44 0.19 0.19 0.00 0.00 0.00 0.00 31.44 32.26 1ijj n GLU 637 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1ijj n LYS 638 N 2.23 -2.86 -4.30 3.44 3.00 -1.20 -4.31 118.16 114.16 1ijj n LYS 638 Ca 0.08 -1.29 -0.19 0.00 -0.00 0.00 0.00 58.31 56.90 1ijj n LYS 638 Cb 0.68 -1.27 -0.11 0.00 0.00 0.00 0.00 35.03 34.33 1ijj n LYS 638 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ijj s SER 639 N -3.61 2.37 -0.11 3.14 1.04 -1.26 0.35 113.70 115.63 1ijj s SER 639 Ca 0.53 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 56.08 1ijj s SER 639 Cb -0.06 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.96 1ijj s SER 639 CO 0.41 -0.13 -0.18 -0.47 0.98 0.00 0.00 173.24 173.85 1ijj s TYR 640 N -2.47 2.24 -0.66 5.02 5.04 -0.13 -4.90 117.35 121.49 1ijj s TYR 640 Ca 0.16 -1.04 -0.23 0.00 -2.44 0.00 0.00 57.07 53.52 1ijj s TYR 640 Cb -0.03 -1.56 0.07 0.00 0.35 0.00 0.00 41.96 40.79 1ijj s TYR 640 CO 0.05 -0.49 0.97 -1.83 -1.34 0.00 0.00 175.55 172.91 1ijj s GLU 641 N 0.80 3.12 1.23 4.97 -1.05 -1.26 -2.79 118.70 123.72 1ijj s GLU 641 Ca -0.09 -0.80 -0.18 0.00 -0.15 0.00 0.00 54.97 53.74 1ijj s GLU 641 Cb -0.16 -4.22 0.26 0.00 -0.44 0.00 0.00 34.13 29.57 1ijj s GLU 641 CO 0.00 -1.82 0.58 1.28 0.95 0.00 0.00 175.26 176.25 1ijj n LEU 642 N 7.75 -1.28 0.42 1.83 4.77 -0.54 -4.76 117.00 125.19 1ijj n LEU 642 Ca -0.04 -0.48 -0.20 0.00 -0.03 0.00 0.00 56.01 55.27 1ijj n LEU 642 Cb 0.46 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 1ijj n LEU 642 CO 0.64 -3.72 0.53 -0.65 -1.33 0.00 0.00 177.39 172.86 1ijj h PRO 643 N -2.93 -1.14 -2.44 3.23 0.11 -1.96 -1.58 132.00 125.29 1ijj h PRO 643 Ca -0.42 0.08 -0.08 0.00 0.11 0.00 0.00 66.00 65.69 1ijj h PRO 643 Cb 1.17 0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.51 1ijj h PRO 643 CO 0.29 -0.76 0.05 -0.40 -0.21 0.00 0.00 178.00 176.97 1ijj n ASP 644 N -5.58 2.59 0.00 -2.05 5.75 -1.26 -4.59 116.55 111.41 1ijj n ASP 644 Ca -0.14 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 1ijj n ASP 644 Cb 0.50 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1ijj n ASP 644 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ijj n GLY 645 N 2.62 0.00 3.55 6.12 0.00 -0.59 -4.78 105.19 112.10 1ijj n GLY 645 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1ijj n GLY 645 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ijj n GLN 646 N 0.17 0.46 -2.06 1.61 6.02 -1.24 -4.41 117.38 117.95 1ijj n GLN 646 Ca 0.00 -0.75 -0.32 0.00 -0.01 0.00 0.00 57.00 55.92 1ijj n GLN 646 Cb 0.01 -3.30 0.01 0.00 1.02 0.00 0.00 30.24 27.98 1ijj n GLN 646 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ijj s VAL 647 N 12.70 3.97 -0.28 5.09 1.01 -1.26 -1.47 120.40 140.17 1ijj s VAL 647 Ca 0.98 0.90 -0.25 0.00 0.00 0.00 0.00 61.98 63.62 1ijj s VAL 647 Cb -0.24 -3.45 0.10 0.00 0.00 0.00 0.00 36.38 32.79 1ijj s VAL 647 CO 0.16 -0.58 0.88 0.27 0.00 0.00 0.00 175.10 175.83 1ijj s ILE 648 N -2.55 0.00 0.11 2.22 -4.36 -1.12 -4.94 121.20 110.56 1ijj s ILE 648 Ca 0.62 0.00 -0.07 0.00 -0.26 0.00 0.00 60.65 60.94 1ijj s ILE 648 Cb -0.15 -1.00 -0.06 0.00 1.25 0.00 0.00 42.46 42.51 1ijj s ILE 648 CO 0.38 0.00 0.39 0.42 0.24 0.00 0.00 174.94 176.37 1ijj s THR 649 N 0.36 5.13 -0.32 8.37 -4.23 -1.26 -0.96 115.64 122.73 1ijj s THR 649 Ca 0.01 0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.52 1ijj s THR 649 Cb -0.05 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1ijj s THR 649 CO -0.04 0.15 0.79 -0.63 -0.54 0.00 0.00 174.62 174.35 1ijj s ILE 650 N -1.54 4.78 0.00 2.99 -1.09 1.10 -4.90 121.20 122.54 1ijj s ILE 650 Ca 0.37 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1ijj s ILE 650 Cb -0.13 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1ijj s ILE 650 CO 0.21 -0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.25 1ijj n GLY 651 N 4.26 1.87 0.01 6.18 0.00 -1.26 -3.28 105.19 112.96 1ijj n GLY 651 Ca 0.04 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.27 1ijj n GLY 651 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ijj n ASN 652 N 0.00 0.04 0.00 1.61 6.94 -1.26 -2.95 115.26 119.64 1ijj n ASN 652 Ca 0.00 0.51 0.00 0.00 -0.02 0.00 0.00 54.58 55.07 1ijj n ASN 652 Cb 0.00 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.90 1ijj n ASN 652 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ijj n GLU 653 N -1.55 0.00 0.00 -3.83 1.02 -1.26 -2.66 120.64 112.36 1ijj n GLU 653 Ca 0.02 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1ijj n GLU 653 Cb 0.11 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1ijj n GLU 653 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ijj n ARG 654 N -1.03 0.00 0.08 3.49 1.74 -1.15 -3.29 116.66 116.49 1ijj n ARG 654 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1ijj n ARG 654 Cb 0.06 -0.42 0.35 0.00 -1.02 0.00 0.00 32.46 31.44 1ijj n ARG 654 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1ijj n PHE 655 N -0.29 0.40 0.08 -1.55 1.16 -1.17 -1.59 117.46 114.51 1ijj n PHE 655 Ca 0.00 0.18 -0.07 0.00 -1.87 0.00 0.00 57.45 55.69 1ijj n PHE 655 Cb 0.00 -0.79 -0.07 0.00 -1.61 0.00 0.00 39.48 37.01 1ijj n PHE 655 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ijj h ARG 656 N 0.00 0.04 0.44 3.97 2.47 -1.68 -2.20 114.38 117.43 1ijj h ARG 656 Ca 0.00 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1ijj h ARG 656 Cb 0.15 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1ijj h ARG 656 CO 0.00 0.96 -0.21 0.00 0.56 0.00 0.00 179.97 181.28 1ijj h PRO 658 N -0.96 0.91 -1.66 0.00 0.11 -1.67 -2.91 132.00 125.81 1ijj h PRO 658 Ca -0.06 -0.23 0.51 0.00 0.11 0.00 0.00 66.00 66.33 1ijj h PRO 658 Cb 0.57 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 31.47 1ijj h PRO 658 CO 0.10 0.86 1.16 -1.91 -0.21 0.00 0.00 178.00 178.00 1ijj n GLU 659 N -4.22 -0.01 -0.28 1.05 4.07 -0.82 0.36 120.64 120.78 1ijj n GLU 659 Ca 0.03 1.09 0.22 0.00 -0.06 0.00 0.00 57.16 58.45 1ijj n GLU 659 Cb 0.28 -2.36 0.54 0.00 -0.06 0.00 0.00 31.44 29.84 1ijj n GLU 659 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1ijj h THR 660 N 0.00 0.59 0.00 6.31 2.02 -1.59 0.73 112.91 120.97 1ijj h THR 660 Ca 0.87 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.93 1ijj h THR 660 Cb 3.25 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 69.87 1ijj h THR 660 CO -0.18 0.06 -0.01 -0.07 0.37 0.00 0.00 175.52 175.69 1ijj h LEU 661 N 0.35 0.00 -0.45 2.58 3.38 0.60 -1.06 115.31 120.71 1ijj h LEU 661 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1ijj h LEU 661 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1ijj h LEU 661 CO -0.20 0.01 -0.38 0.49 0.09 0.00 0.00 178.44 178.45 1ijj n PHE 662 N -3.58 0.00 -3.18 1.13 3.72 0.23 -0.96 117.46 114.81 1ijj n PHE 662 Ca -0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.17 1ijj n PHE 662 Cb 0.10 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.58 1ijj n PHE 662 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ijj n GLN 663 N -0.68 0.33 0.01 -1.08 6.02 0.41 -4.26 117.38 118.14 1ijj n GLN 663 Ca 0.04 -2.82 0.02 0.00 -0.01 0.00 0.00 57.00 54.23 1ijj n GLN 663 Cb 0.22 -1.58 0.09 0.00 1.02 0.00 0.00 30.24 29.99 1ijj n GLN 663 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1ijj n PRO 664 N 2.73 0.01 -0.29 -1.09 -0.05 -0.75 -2.36 135.00 133.20 1ijj n PRO 664 Ca 0.25 0.47 0.04 0.00 -0.05 0.00 0.00 63.50 64.20 1ijj n PRO 664 Cb 0.51 -1.53 0.18 0.00 -0.05 0.00 0.00 33.50 32.61 1ijj n PRO 664 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1ijj h SER 665 N 0.00 0.66 0.00 3.54 4.64 -1.84 0.81 113.55 121.36 1ijj h SER 665 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1ijj h SER 665 Cb 0.05 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1ijj h SER 665 CO 0.00 0.36 0.57 -0.26 -0.87 0.00 0.00 176.83 176.63 1ijj h PHE 666 N 0.77 0.00 -0.01 4.77 0.05 -1.78 1.25 116.94 121.99 1ijj h PHE 666 Ca 0.41 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.20 1ijj h PHE 666 Cb 0.40 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.35 1ijj h PHE 666 CO -0.06 0.00 0.00 -0.89 -0.18 0.00 0.00 178.31 177.18 1ijj n ILE 667 N -2.24 0.45 -1.18 -0.55 2.08 0.10 -4.93 119.36 113.08 1ijj n ILE 667 Ca -0.01 -0.73 0.00 0.00 0.56 0.00 0.00 62.75 62.58 1ijj n ILE 667 Cb 0.58 0.78 0.00 0.00 -0.75 0.00 0.00 39.64 40.26 1ijj n ILE 667 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ijj n GLY 668 N -0.16 0.42 3.65 7.39 0.00 0.43 -5.02 105.19 111.90 1ijj n GLY 668 Ca 0.01 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 1ijj n GLY 668 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ijj s MET 669 N -2.38 4.15 0.00 1.61 -1.94 -0.16 -4.93 119.30 115.64 1ijj s MET 669 Ca 0.00 0.29 0.27 0.00 -1.71 0.00 0.00 55.69 54.53 1ijj s MET 669 Cb 0.00 -3.58 1.22 0.00 2.01 0.00 0.00 34.83 34.49 1ijj s MET 669 CO 0.00 -0.16 1.88 -0.85 -0.01 0.00 0.00 175.02 175.88 1ijj n GLU 670 N 4.85 0.16 -0.58 2.03 0.00 -1.26 -3.12 120.64 122.73 1ijj n GLU 670 Ca -0.06 0.04 -0.30 0.00 0.00 0.00 0.00 57.16 56.84 1ijj n GLU 670 Cb 0.51 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.66 1ijj n GLU 670 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1ijj n SER 671 N -1.41 -2.08 -4.89 -1.84 7.64 -1.26 -5.01 113.62 104.77 1ijj n SER 671 Ca 0.09 -0.14 -0.35 0.00 1.01 0.00 0.00 58.87 59.48 1ijj n SER 671 Cb 0.27 -1.11 -0.05 0.00 -1.01 0.00 0.00 64.21 62.31 1ijj n SER 671 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ijj s ALA 672 N -2.32 3.91 1.06 -0.43 0.00 -1.26 -4.61 121.76 118.11 1ijj s ALA 672 Ca 0.62 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1ijj s ALA 672 Cb -0.19 -1.95 0.22 0.00 0.00 0.00 0.00 23.12 21.21 1ijj s ALA 672 CO 0.66 0.69 1.04 0.41 0.00 0.00 0.00 175.76 178.56 1ijj n GLY 673 N 1.27 -1.32 0.00 0.00 0.00 -1.26 -4.43 105.19 99.45 1ijj n GLY 673 Ca -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1ijj n GLY 673 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ijj n ILE 674 N -4.65 0.00 -0.16 -0.61 5.41 -0.14 -0.47 119.36 118.75 1ijj n ILE 674 Ca 0.07 0.51 0.04 0.00 1.00 0.00 0.00 62.75 64.37 1ijj n ILE 674 Cb 0.53 -0.91 0.08 0.00 -0.71 0.00 0.00 39.64 38.63 1ijj n ILE 674 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ijj n HIS 675 N -0.25 0.19 0.00 1.39 1.44 -1.26 -0.21 115.22 116.52 1ijj n HIS 675 Ca 0.00 0.54 0.00 0.00 -2.01 0.00 0.00 57.72 56.25 1ijj n HIS 675 Cb 0.00 -0.78 0.00 0.00 0.12 0.00 0.00 29.99 29.33 1ijj n HIS 675 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1ijj n GLU 676 N -4.65 0.00 -0.42 -1.40 -0.58 -0.37 0.45 120.64 113.67 1ijj n GLU 676 Ca 0.08 0.38 0.34 0.00 -0.42 0.00 0.00 57.16 57.55 1ijj n GLU 676 Cb 0.25 -1.21 0.64 0.00 -0.57 0.00 0.00 31.44 30.55 1ijj n GLU 676 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1ijj h THR 677 N 0.00 0.24 0.11 2.62 1.35 0.21 0.30 112.91 117.75 1ijj h THR 677 Ca 0.00 -0.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1ijj h THR 677 Cb 0.00 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 1ijj h THR 677 CO 0.00 0.03 -0.05 0.74 -0.25 0.00 0.00 175.52 175.98 1ijj h THR 678 N 0.15 1.02 0.22 6.82 2.02 -0.14 -1.89 112.91 121.11 1ijj h THR 678 Ca 0.75 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 1ijj h THR 678 Cb 2.36 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 70.11 1ijj h THR 678 CO -0.32 0.13 -0.15 0.22 0.37 0.00 0.00 175.52 175.76 1ijj h TYR 679 N -0.39 -0.40 -1.04 3.16 3.20 0.35 -0.85 116.97 121.00 1ijj h TYR 679 Ca -0.02 -0.00 0.29 0.00 3.14 0.00 0.00 58.73 62.14 1ijj h TYR 679 Cb 0.32 0.15 -0.13 0.00 1.54 0.00 0.00 36.73 38.61 1ijj h TYR 679 CO 0.01 -0.24 0.62 -0.91 -1.64 0.00 0.00 178.16 176.00 1ijj h ASN 680 N -0.37 0.54 0.29 -2.11 4.21 -0.93 0.78 115.58 117.99 1ijj h ASN 680 Ca -0.01 0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 1ijj h ASN 680 Cb 0.32 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 1ijj h ASN 680 CO 0.00 -0.00 -0.14 -1.28 -1.29 0.00 0.00 177.43 174.72 1ijj h SER 681 N 0.42 -0.33 -0.13 5.81 0.87 -0.93 1.69 113.55 120.95 1ijj h SER 681 Ca 0.68 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 61.21 1ijj h SER 681 Cb 1.54 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.58 1ijj h SER 681 CO -0.48 0.14 0.29 0.40 -0.53 0.00 0.00 176.83 176.64 1ijj h ILE 682 N -1.07 0.18 0.00 2.23 5.03 -0.42 -1.15 117.51 122.31 1ijj h ILE 682 Ca -0.04 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1ijj h ILE 682 Cb 0.38 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 34.91 1ijj h ILE 682 CO 0.07 0.00 -0.03 0.24 -0.68 0.00 0.00 178.15 177.74 1ijj h MET 683 N 0.00 0.00 0.00 2.37 2.86 0.64 -3.22 114.93 117.58 1ijj h MET 683 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ijj h MET 683 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1ijj h MET 683 CO -0.00 0.00 0.08 1.17 1.06 0.00 0.00 176.91 179.22 1ijj n LYS 684 N -3.51 0.00 -3.52 1.72 4.81 0.57 -4.37 118.16 113.85 1ijj n LYS 684 Ca -0.00 0.02 -0.37 0.00 -0.87 0.00 0.00 58.31 57.08 1ijj n LYS 684 Cb 0.02 -1.58 -0.07 0.00 0.02 0.00 0.00 35.03 33.42 1ijj n LYS 684 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ijj n ASP 686 N 3.17 0.24 0.00 0.00 -0.08 -1.26 -4.84 116.55 113.77 1ijj n ASP 686 Ca -0.12 -0.68 0.00 0.00 -1.51 0.00 0.00 54.79 52.48 1ijj n ASP 686 Cb 0.52 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 42.93 1ijj n ASP 686 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1ijj n ILE 687 N 7.11 0.00 -0.10 5.18 5.41 -1.26 -2.94 119.36 132.75 1ijj n ILE 687 Ca 0.58 0.00 0.05 0.00 1.00 0.00 0.00 62.75 64.37 1ijj n ILE 687 Cb 0.25 0.00 0.09 0.00 -0.71 0.00 0.00 39.64 39.27 1ijj n ILE 687 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1ijj n ASP 688 N 0.00 -0.03 0.10 4.38 8.00 -1.26 -0.99 116.55 126.74 1ijj n ASP 688 Ca 0.00 0.51 -0.18 0.00 0.71 0.00 0.00 54.79 55.83 1ijj n ASP 688 Cb 0.00 -0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 1ijj n ASP 688 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1ijj h ILE 689 N 0.00 1.39 -1.61 0.53 3.07 -1.90 -3.39 117.51 115.60 1ijj h ILE 689 Ca 0.18 -2.70 0.48 0.00 1.55 0.00 0.00 64.86 64.38 1ijj h ILE 689 Cb 0.38 2.75 -0.09 0.00 -0.27 0.00 0.00 36.82 39.59 1ijj h ILE 689 CO -0.28 0.80 1.13 0.03 -1.05 0.00 0.00 178.15 178.78 1ijj h ARG 690 N 0.18 0.03 -1.39 0.16 3.08 -1.30 0.11 114.38 115.24 1ijj h ARG 690 Ca -0.15 -0.00 0.42 0.00 0.07 0.00 0.00 59.98 60.32 1ijj h ARG 690 Cb 1.88 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.82 1ijj h ARG 690 CO 0.21 0.02 0.95 0.87 -1.07 0.00 0.00 179.97 180.95 1ijj h LYS 691 N 0.03 0.09 0.01 0.04 1.79 -1.77 -0.43 116.57 116.34 1ijj h LYS 691 Ca 0.82 -0.01 -0.33 0.00 -2.18 0.00 0.00 60.65 58.96 1ijj h LYS 691 Cb 3.08 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 33.67 1ijj h LYS 691 CO -0.13 0.06 -1.80 -0.25 -1.08 0.00 0.00 179.45 176.25 1ijj n ASP 692 N -4.41 1.92 -0.34 0.86 8.00 0.36 -2.28 116.55 120.66 1ijj n ASP 692 Ca 0.35 0.36 0.15 0.00 0.71 0.00 0.00 54.79 56.35 1ijj n ASP 692 Cb 1.44 -0.89 0.35 0.00 -0.02 0.00 0.00 41.12 42.00 1ijj n ASP 692 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1ijj h LEU 693 N -0.89 0.66 0.55 0.64 3.38 -1.38 0.76 115.31 119.04 1ijj h LEU 693 Ca -0.49 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1ijj h LEU 693 Cb 1.49 0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.26 1ijj h LEU 693 CO -0.26 0.15 -0.27 1.88 0.09 0.00 0.00 178.44 180.03 1ijj h TYR 694 N 0.61 -0.69 0.00 1.13 0.05 -1.25 -2.83 116.97 113.99 1ijj h TYR 694 Ca 0.61 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.37 1ijj h TYR 694 Cb 1.08 0.23 0.00 0.00 1.01 0.00 0.00 36.73 39.05 1ijj h TYR 694 CO -0.03 -0.36 0.00 0.00 -1.05 0.00 0.00 178.16 176.72 1ijj n ALA 695 N -2.55 1.86 -3.20 3.88 0.00 -0.27 -1.50 120.51 118.74 1ijj n ALA 695 Ca -0.12 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 1ijj n ALA 695 Cb 0.33 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 1ijj n ALA 695 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ijj n ASN 696 N -1.12 -0.32 -4.52 0.00 3.02 0.25 -4.12 115.26 108.45 1ijj n ASN 696 Ca 0.08 -2.66 -0.38 0.00 -0.03 0.00 0.00 54.58 51.59 1ijj n ASN 696 Cb 0.07 -0.37 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 1ijj n ASN 696 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ijj s ASN 697 N -0.85 5.67 -0.12 6.41 3.04 -0.68 -0.83 114.94 127.58 1ijj s ASN 697 Ca 0.34 -0.15 -0.03 0.00 0.04 0.00 0.00 52.86 53.06 1ijj s ASN 697 Cb 0.14 -2.04 -0.03 0.00 -1.54 0.00 0.00 41.25 37.77 1ijj s ASN 697 CO -0.14 -0.07 -0.00 -0.69 -3.04 0.00 0.00 177.10 173.16 1ijj s VAL 698 N 1.69 4.23 -0.17 -5.21 1.01 0.39 0.16 120.40 122.50 1ijj s VAL 698 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1ijj s VAL 698 Cb -0.16 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1ijj s VAL 698 CO 0.08 0.56 -0.11 -0.04 0.00 0.00 0.00 175.10 175.59 1ijj s MET 699 N -0.39 3.34 0.04 2.72 -1.94 0.17 0.21 119.30 123.43 1ijj s MET 699 Ca 0.07 -0.68 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 1ijj s MET 699 Cb -0.12 -2.75 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 1ijj s MET 699 CO 0.02 0.02 -0.07 -1.54 -0.01 0.00 0.00 175.02 173.44 1ijj s SER 700 N 0.85 0.82 0.00 3.03 1.04 0.16 -4.31 113.70 115.29 1ijj s SER 700 Ca -0.03 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1ijj s SER 700 Cb -0.15 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1ijj s SER 700 CO 0.00 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1ijj n GLY 701 N 1.59 3.33 0.51 7.32 0.00 -1.20 -1.87 105.19 114.87 1ijj n GLY 701 Ca -0.22 -1.90 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 1ijj n GLY 701 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ijj h GLY 702 N 0.00 -1.34 0.02 -0.02 0.00 -1.72 -3.08 103.07 96.93 1ijj h GLY 702 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1ijj h GLY 702 CO 0.00 -0.49 0.00 -1.30 0.00 0.00 0.00 176.54 174.75 1ijj n THR 703 N -5.61 0.00 -0.88 4.70 -2.24 -0.30 -0.32 114.28 109.64 1ijj n THR 703 Ca -0.16 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1ijj n THR 703 Cb 0.51 -0.26 0.37 0.00 -2.10 0.00 0.00 70.33 68.85 1ijj n THR 703 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ijj n THR 704 N -0.51 2.53 1.25 4.28 -2.24 -1.16 -4.32 114.28 114.10 1ijj n THR 704 Ca 0.00 -1.47 0.13 0.00 -2.27 0.00 0.00 64.05 60.44 1ijj n THR 704 Cb 0.00 -0.21 0.32 0.00 -2.10 0.00 0.00 70.33 68.34 1ijj n THR 704 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1ijj n MET 705 N 0.46 1.99 -1.98 -0.78 2.81 0.57 -4.93 117.12 115.26 1ijj n MET 705 Ca 0.26 -1.44 -0.36 0.00 -1.81 0.00 0.00 57.70 54.35 1ijj n MET 705 Cb 1.09 -1.47 0.04 0.00 -0.71 0.00 0.00 33.22 32.16 1ijj n MET 705 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1ijj s TYR 706 N -1.99 2.36 0.30 2.03 1.51 -1.26 -4.96 117.35 115.34 1ijj s TYR 706 Ca 0.33 1.50 -0.28 0.00 -1.01 0.00 0.00 57.07 57.61 1ijj s TYR 706 Cb 0.21 -3.52 -0.09 0.00 -0.11 0.00 0.00 41.96 38.44 1ijj s TYR 706 CO 0.32 -2.32 1.06 -2.14 -1.11 0.00 0.00 175.55 171.36 1ijj s PRO 707 N -3.28 4.56 0.00 -1.71 0.02 -1.26 -3.04 135.00 130.29 1ijj s PRO 707 Ca 0.77 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1ijj s PRO 707 Cb -0.32 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1ijj s PRO 707 CO 0.35 0.18 0.00 0.41 -0.33 0.00 0.00 177.00 177.61 1ijj n GLY 708 N 1.02 0.27 0.28 0.52 0.00 -1.26 -2.89 105.19 103.14 1ijj n GLY 708 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1ijj n GLY 708 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ijj h ILE 709 N 0.00 1.12 0.00 -0.61 2.10 -1.88 -0.41 117.51 117.84 1ijj h ILE 709 Ca 0.00 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.54 1ijj h ILE 709 Cb 0.38 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 1ijj h ILE 709 CO 0.00 0.15 0.00 0.00 -1.08 0.00 0.00 178.15 177.22 1ijj n ALA 710 N -2.49 -0.20 -0.04 0.18 0.00 -1.26 -1.64 120.51 115.07 1ijj n ALA 710 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1ijj n ALA 710 Cb 0.14 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 1ijj n ALA 710 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ijj h ASP 711 N 0.00 -0.94 -1.00 0.00 3.32 -1.92 -1.26 116.42 114.62 1ijj h ASP 711 Ca 0.00 0.15 0.31 0.00 0.02 0.00 0.00 57.03 57.51 1ijj h ASP 711 Cb 0.00 0.42 -0.14 0.00 0.22 0.00 0.00 39.33 39.83 1ijj h ASP 711 CO 0.00 -0.33 0.57 -0.09 -1.72 0.00 0.00 179.24 177.68 1ijj h ARG 712 N -0.32 0.36 -0.02 3.56 9.65 -1.05 0.51 114.38 127.07 1ijj h ARG 712 Ca 0.12 -0.02 -0.17 0.00 -1.10 0.00 0.00 59.98 58.81 1ijj h ARG 712 Cb 0.52 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1ijj h ARG 712 CO -0.40 0.24 -0.77 0.52 2.80 0.00 0.00 179.97 182.36 1ijj h MET 713 N 0.37 0.17 -0.15 0.20 2.86 -0.31 -1.72 114.93 116.36 1ijj h MET 713 Ca 0.72 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 58.22 1ijj h MET 713 Cb 1.59 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 33.26 1ijj h MET 713 CO -0.58 0.86 -0.02 0.37 1.06 0.00 0.00 176.91 178.60 1ijj h GLN 714 N 0.11 0.02 0.00 1.72 5.75 0.10 -2.12 115.11 120.70 1ijj h GLN 714 Ca -0.03 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1ijj h GLN 714 Cb 1.35 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.90 1ijj h GLN 714 CO 0.12 0.02 0.00 1.63 -2.65 0.00 0.00 178.83 177.94 1ijj n LYS 715 N -5.15 0.00 -0.12 1.69 4.01 -0.76 -2.18 118.16 115.65 1ijj n LYS 715 Ca -0.04 0.41 0.04 0.00 -0.51 0.00 0.00 58.31 58.22 1ijj n LYS 715 Cb 0.09 -1.27 0.09 0.00 -0.51 0.00 0.00 35.03 33.43 1ijj n LYS 715 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1ijj n GLU 716 N -1.73 -0.03 0.00 1.97 -0.58 -0.65 -1.68 120.64 117.94 1ijj n GLU 716 Ca 0.00 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 1ijj n GLU 716 Cb 0.00 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1ijj n GLU 716 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1ijj n ILE 717 N -4.36 0.00 -0.31 -3.67 2.08 -0.80 -3.12 119.36 109.19 1ijj n ILE 717 Ca 0.07 0.58 0.25 0.00 0.56 0.00 0.00 62.75 64.21 1ijj n ILE 717 Cb 0.24 -1.21 0.40 0.00 -0.75 0.00 0.00 39.64 38.33 1ijj n ILE 717 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1ijj n THR 718 N -1.11 -0.09 0.17 1.39 -2.24 -0.79 0.24 114.28 111.84 1ijj n THR 718 Ca 0.00 0.94 0.03 0.00 -2.27 0.00 0.00 64.05 62.75 1ijj n THR 718 Cb 0.00 -1.55 0.26 0.00 -2.10 0.00 0.00 70.33 66.94 1ijj n THR 718 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ijj h ALA 719 N 0.77 0.95 -0.01 6.98 0.00 -1.38 -3.11 119.26 123.46 1ijj h ALA 719 Ca 0.50 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ijj h ALA 719 Cb 1.75 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1ijj h ALA 719 CO -0.17 0.59 -0.71 1.28 0.00 0.00 0.00 179.25 180.24 1ijj n LEU 720 N -3.59 1.46 -4.55 0.00 4.77 0.67 -4.98 117.00 110.77 1ijj n LEU 720 Ca -0.00 -0.63 -0.28 0.00 -0.03 0.00 0.00 56.01 55.07 1ijj n LEU 720 Cb 0.57 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1ijj n LEU 720 CO 0.39 0.30 -0.43 0.00 -1.33 0.00 0.00 177.39 176.32 1ijj s ALA 721 N -2.65 2.89 -0.42 -1.18 0.00 -0.54 -5.05 121.76 114.80 1ijj s ALA 721 Ca 0.13 -1.39 -0.44 0.00 0.00 0.00 0.00 51.96 50.26 1ijj s ALA 721 Cb 0.16 -0.76 -0.19 0.00 0.00 0.00 0.00 23.12 22.33 1ijj s ALA 721 CO 0.69 0.54 1.46 -2.30 0.00 0.00 0.00 175.76 176.15 1ijj n PRO 722 N 0.37 0.00 0.00 0.00 -0.01 -1.26 -4.67 135.00 129.43 1ijj n PRO 722 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.37 1ijj n PRO 722 Cb 0.54 -1.43 0.00 0.00 -0.01 0.00 0.00 33.50 32.60 1ijj n PRO 722 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 1ijj n SER 723 N 3.53 0.00 -0.08 2.55 3.41 -1.26 -0.61 113.62 121.15 1ijj n SER 723 Ca 0.28 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.97 1ijj n SER 723 Cb -0.04 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.02 1ijj n SER 723 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ijj n THR 724 N -0.77 1.65 -3.39 6.66 -2.24 -1.26 -5.02 114.28 109.91 1ijj n THR 724 Ca 0.00 -1.95 -0.38 0.00 -2.27 0.00 0.00 64.05 59.45 1ijj n THR 724 Cb 0.00 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 1ijj n THR 724 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1ijj s MET 725 N -2.43 4.08 -0.09 -0.78 -1.94 0.21 -5.03 119.30 113.33 1ijj s MET 725 Ca 0.25 0.54 -0.27 0.00 -1.71 0.00 0.00 55.69 54.50 1ijj s MET 725 Cb 0.22 -3.26 -0.02 0.00 2.01 0.00 0.00 34.83 33.78 1ijj s MET 725 CO 0.02 0.60 0.88 0.21 -0.01 0.00 0.00 175.02 176.72 1ijj s LYS 726 N -0.84 4.43 -0.21 2.03 2.20 -1.26 -5.00 119.74 121.09 1ijj s LYS 726 Ca 0.26 1.17 -0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1ijj s LYS 726 Cb -0.18 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1ijj s LYS 726 CO 0.15 -0.16 -0.13 0.42 -0.36 0.00 0.00 175.35 175.27 1ijj s ILE 727 N 1.49 2.48 -0.15 5.43 1.01 -1.26 -2.54 121.20 127.66 1ijj s ILE 727 Ca 0.44 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1ijj s ILE 727 Cb -0.18 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.14 1ijj s ILE 727 CO 0.19 0.38 -0.20 -0.75 0.00 0.00 0.00 174.94 174.56 1ijj s LYS 728 N 1.31 3.07 -0.21 2.79 2.20 -0.56 -4.92 119.74 123.43 1ijj s LYS 728 Ca 0.02 -0.82 -0.09 0.00 -0.36 0.00 0.00 55.97 54.72 1ijj s LYS 728 Cb -0.15 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1ijj s LYS 728 CO -0.08 -0.03 0.10 0.42 -0.36 0.00 0.00 175.35 175.40 1ijj s ILE 729 N 0.87 5.04 -0.23 5.43 1.09 -1.26 -1.68 121.20 130.47 1ijj s ILE 729 Ca -0.05 0.06 0.00 0.00 -1.10 0.00 0.00 60.65 59.56 1ijj s ILE 729 Cb -0.15 -3.31 0.06 0.00 -1.06 0.00 0.00 42.46 38.00 1ijj s ILE 729 CO -0.03 0.41 -0.05 -0.63 -0.10 0.00 0.00 174.94 174.55 1ijj s ILE 730 N 0.66 1.40 -0.57 2.92 1.01 0.12 -4.96 121.20 121.78 1ijj s ILE 730 Ca 0.06 -1.11 0.04 0.00 0.00 0.00 0.00 60.65 59.64 1ijj s ILE 730 Cb -0.13 -1.68 0.15 0.00 0.01 0.00 0.00 42.46 40.82 1ijj s ILE 730 CO 0.01 -0.09 0.37 0.00 0.00 0.00 0.00 174.94 175.23 1ijj s ALA 731 N 1.46 3.04 0.57 9.38 0.00 -1.26 0.44 121.76 135.39 1ijj s ALA 731 Ca -0.05 -3.28 -0.20 0.00 0.00 0.00 0.00 51.96 48.43 1ijj s ALA 731 Cb -0.18 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1ijj s ALA 731 CO -0.07 -2.06 1.31 -1.25 0.00 0.00 0.00 175.76 173.70 1ijj s PRO 732 N -0.64 2.99 0.28 0.00 0.04 -1.26 -4.95 135.00 131.47 1ijj s PRO 732 Ca 0.23 2.11 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 1ijj s PRO 732 Cb -0.12 -2.11 0.45 0.00 0.04 0.00 0.00 34.50 32.76 1ijj s PRO 732 CO -0.10 -1.27 1.89 -1.35 0.04 0.00 0.00 177.00 176.22 1ijj h PRO 733 N 1.17 1.10 0.00 0.56 0.11 -1.99 -2.53 132.00 130.43 1ijj h PRO 733 Ca -0.51 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1ijj h PRO 733 Cb 1.31 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ijj h PRO 733 CO 0.56 0.73 0.00 -0.85 -0.21 0.00 0.00 178.00 178.23 1ijj n GLU 734 N -4.49 0.21 0.00 1.05 0.00 -1.26 -4.54 120.64 111.61 1ijj n GLU 734 Ca 0.15 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.59 1ijj n GLU 734 Cb 0.18 -1.80 0.00 0.00 0.00 0.00 0.00 31.44 29.83 1ijj n GLU 734 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1ijj n ARG 735 N -2.17 0.00 -0.34 3.44 1.74 -0.95 0.47 116.66 118.85 1ijj n ARG 735 Ca 0.04 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.22 1ijj n ARG 735 Cb 0.33 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 31.98 1ijj n ARG 735 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ijj n LYS 736 N -2.86 -0.08 -0.05 5.56 4.76 -1.26 -1.22 118.16 123.00 1ijj n LYS 736 Ca 0.00 1.48 0.10 0.00 -2.87 0.00 0.00 58.31 57.03 1ijj n LYS 736 Cb 0.00 -2.28 0.12 0.00 -1.84 0.00 0.00 35.03 31.03 1ijj n LYS 736 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ijj n TYR 737 N -5.52 0.14 -0.36 2.13 4.01 0.18 -4.53 117.16 113.20 1ijj n TYR 737 Ca 0.19 -0.08 0.03 0.00 -0.16 0.00 0.00 57.90 57.88 1ijj n TYR 737 Cb 0.60 -0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.73 1ijj n TYR 737 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ijj n SER 738 N 1.19 -0.47 0.09 7.72 3.41 -0.36 -0.77 113.62 124.44 1ijj n SER 738 Ca 0.13 1.69 -0.12 0.00 -0.26 0.00 0.00 58.87 60.31 1ijj n SER 738 Cb 0.52 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 1ijj n SER 738 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ijj h VAL 739 N 0.00 0.40 -0.55 -3.33 2.07 -1.84 -0.28 116.25 112.72 1ijj h VAL 739 Ca 0.41 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.03 1ijj h VAL 739 Cb 0.66 0.40 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 1ijj h VAL 739 CO -0.99 0.00 -0.37 -0.25 0.02 0.00 0.00 177.57 175.99 1ijj h TRP 740 N -0.45 -1.04 -0.14 1.57 7.01 -1.31 -0.67 115.95 120.92 1ijj h TRP 740 Ca 0.05 0.07 0.05 0.00 2.11 0.00 0.00 58.89 61.16 1ijj h TRP 740 Cb 0.51 0.53 -0.07 0.00 -2.10 0.00 0.00 29.16 28.03 1ijj h TRP 740 CO -0.28 -0.40 -0.39 0.82 -2.79 0.00 0.00 178.44 175.41 1ijj h ILE 741 N -0.20 0.19 -0.97 2.65 2.04 -0.63 0.60 117.51 121.18 1ijj h ILE 741 Ca 0.20 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.26 1ijj h ILE 741 Cb 0.56 0.19 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 1ijj h ILE 741 CO -0.65 0.00 0.56 1.23 0.00 0.00 0.00 178.15 179.29 1ijj h GLY 742 N -0.45 1.74 0.79 5.37 0.00 -0.42 1.26 103.07 111.36 1ijj h GLY 742 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1ijj h GLY 742 CO -0.39 -0.12 -0.37 -1.33 0.00 0.00 0.00 176.54 174.33 1ijj h GLY 743 N 0.67 -0.96 -0.02 4.60 0.00 0.90 0.47 103.07 108.72 1ijj h GLY 743 Ca 0.58 0.41 0.09 0.00 0.00 0.00 0.00 47.33 48.40 1ijj h GLY 743 CO -0.42 -0.34 -0.21 0.23 0.00 0.00 0.00 176.54 175.80 1ijj h SER 744 N -0.87 -0.72 0.00 0.19 0.87 0.49 0.80 113.55 114.30 1ijj h SER 744 Ca -0.06 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1ijj h SER 744 Cb 0.72 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1ijj h SER 744 CO 0.04 -0.24 0.00 -0.38 -0.53 0.00 0.00 176.83 175.72 1ijj n ILE 745 N -5.39 0.00 -0.35 2.23 5.41 0.38 -2.26 119.36 119.38 1ijj n ILE 745 Ca 0.02 1.38 0.25 0.00 1.00 0.00 0.00 62.75 65.41 1ijj n ILE 745 Cb 0.30 -2.29 0.50 0.00 -0.71 0.00 0.00 39.64 37.44 1ijj n ILE 745 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1ijj h LEU 746 N 0.00 0.47 -0.59 1.39 6.46 0.08 -0.24 115.31 122.88 1ijj h LEU 746 Ca 0.00 0.16 0.10 0.00 -0.12 0.00 0.00 57.88 58.01 1ijj h LEU 746 Cb 0.00 0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 39.95 1ijj h LEU 746 CO 0.00 -0.08 0.19 0.00 -0.62 0.00 0.00 178.44 177.93 1ijj h ALA 747 N 1.75 0.74 -0.39 1.25 0.00 0.97 -2.61 119.26 120.98 1ijj h ALA 747 Ca 0.71 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.66 1ijj h ALA 747 Cb 1.76 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 1ijj h ALA 747 CO -0.50 -0.24 0.08 -1.13 0.00 0.00 0.00 179.25 177.47 1ijj n SER 748 N -5.04 3.68 -4.71 0.00 3.41 -0.11 -4.79 113.62 106.06 1ijj n SER 748 Ca 0.08 -2.63 -0.36 0.00 -0.26 0.00 0.00 58.87 55.71 1ijj n SER 748 Cb 0.29 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.53 1ijj n SER 748 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ijj s LEU 749 N -1.66 4.20 0.09 1.04 1.43 -0.99 -4.98 118.68 117.81 1ijj s LEU 749 Ca 0.32 0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 53.60 1ijj s LEU 749 Cb 0.25 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1ijj s LEU 749 CO 0.09 0.09 1.11 -1.54 0.23 0.00 0.00 176.35 176.33 1ijj n SER 750 N 3.82 -0.63 -0.35 2.29 3.41 -1.26 -1.24 113.62 119.66 1ijj n SER 750 Ca -0.13 1.26 0.11 0.00 -0.26 0.00 0.00 58.87 59.84 1ijj n SER 750 Cb 0.52 -0.24 0.22 0.00 -0.26 0.00 0.00 64.21 64.45 1ijj n SER 750 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ijj h THR 751 N 0.00 0.00 0.00 6.66 1.35 -1.95 0.10 112.91 119.08 1ijj h THR 751 Ca 0.09 -0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.93 1ijj h THR 751 Cb 0.24 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.66 1ijj h THR 751 CO -0.56 0.00 -0.13 0.15 -0.25 0.00 0.00 175.52 174.74 1ijj h PHE 752 N 0.00 0.00 0.00 4.73 3.57 -1.45 -3.16 116.94 120.63 1ijj h PHE 752 Ca 0.55 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.05 1ijj h PHE 752 Cb 1.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1ijj h PHE 752 CO -0.63 0.13 0.00 1.04 -2.23 0.00 0.00 178.31 176.62 1ijj n GLN 753 N -3.70 0.00 -0.10 1.11 3.00 0.36 0.51 117.38 118.56 1ijj n GLN 753 Ca -0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.77 1ijj n GLN 753 Cb 0.24 -1.04 -0.07 0.00 0.00 0.00 0.00 30.24 29.37 1ijj n GLN 753 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1ijj n GLN 754 N -0.49 0.41 0.32 -1.09 1.13 -1.19 -4.51 117.38 111.95 1ijj n GLN 754 Ca 0.00 0.17 0.14 0.00 -1.94 0.00 0.00 57.00 55.38 1ijj n GLN 754 Cb 0.00 -1.19 0.77 0.00 0.11 0.00 0.00 30.24 29.92 1ijj n GLN 754 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 1ijj h MET 755 N -0.65 0.00 -6.35 -1.09 2.86 -0.15 -3.42 114.93 106.13 1ijj h MET 755 Ca -0.48 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.58 1ijj h MET 755 Cb 1.44 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.12 1ijj h MET 755 CO -0.28 0.00 1.12 0.91 1.06 0.00 0.00 176.91 179.72 1ijj n TRP 756 N -2.79 2.43 -2.84 -0.22 7.02 -1.14 -4.87 117.44 115.02 1ijj n TRP 756 Ca -0.02 -0.13 -0.43 0.00 -1.02 0.00 0.00 57.50 55.90 1ijj n TRP 756 Cb 0.37 -2.71 -0.04 0.00 -2.42 0.00 0.00 31.31 26.51 1ijj n TRP 756 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1ijj s ILE 757 N 3.76 4.51 0.42 -0.99 1.01 0.48 -4.92 121.20 125.49 1ijj s ILE 757 Ca 0.89 0.74 -0.16 0.00 0.00 0.00 0.00 60.65 62.13 1ijj s ILE 757 Cb -0.58 -4.40 -0.09 0.00 0.01 0.00 0.00 42.46 37.40 1ijj s ILE 757 CO 0.45 -0.78 0.87 0.42 0.00 0.00 0.00 174.94 175.90 1ijj s THR 758 N 3.65 4.60 0.24 2.92 -4.23 -1.26 -0.83 115.64 120.73 1ijj s THR 758 Ca 0.36 1.07 -0.04 0.00 -1.18 0.00 0.00 61.69 61.90 1ijj s THR 758 Cb -0.11 -3.67 0.21 0.00 1.34 0.00 0.00 72.50 70.28 1ijj s THR 758 CO 0.25 -0.44 1.73 0.07 -0.54 0.00 0.00 174.62 175.69 1ijj h LYS 759 N 1.54 0.43 -0.64 3.99 -0.00 -0.56 0.71 116.57 122.04 1ijj h LYS 759 Ca -0.48 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.65 60.09 1ijj h LYS 759 Cb 1.18 -0.10 -0.03 0.00 -0.00 0.00 0.00 32.23 33.29 1ijj h LYS 759 CO 0.63 0.29 0.19 0.37 -0.00 0.00 0.00 179.45 180.92 1ijj h GLN 760 N 0.45 1.01 0.06 0.07 -0.00 -1.93 0.62 115.11 115.39 1ijj h GLN 760 Ca 0.41 -0.22 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 1ijj h GLN 760 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.95 1ijj h GLN 760 CO -0.40 0.89 -0.03 0.93 0.00 0.00 0.00 178.83 180.22 1ijj h GLU 761 N 0.93 -0.08 -1.01 1.69 5.08 -1.09 -1.67 114.58 118.44 1ijj h GLU 761 Ca 0.21 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.68 1ijj h GLU 761 Cb 0.31 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 1ijj h GLU 761 CO -0.00 -0.05 0.64 -0.92 -1.00 0.00 0.00 179.01 177.68 1ijj h TYR 762 N -0.10 1.17 0.46 4.33 3.20 0.65 -2.86 116.97 123.83 1ijj h TYR 762 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1ijj h TYR 762 Cb 0.07 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 37.97 1ijj h TYR 762 CO -0.07 0.50 -0.27 -0.44 -1.64 0.00 0.00 178.16 176.24 1ijj h ASP 763 N 1.05 -0.67 -0.53 -2.11 3.45 0.11 -3.24 116.42 114.49 1ijj h ASP 763 Ca 0.48 0.03 0.15 0.00 0.43 0.00 0.00 57.03 58.13 1ijj h ASP 763 Cb 0.39 0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.33 1ijj h ASP 763 CO -0.24 -0.42 0.58 -0.33 -1.57 0.00 0.00 179.24 177.26 1ijj h GLU 764 N -0.68 0.00 -5.29 3.56 5.08 -1.13 -3.42 114.58 112.70 1ijj h GLU 764 Ca -0.06 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.88 1ijj h GLU 764 Cb 0.54 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.65 1ijj h GLU 764 CO 0.07 0.00 -0.68 0.00 -1.00 0.00 0.00 179.01 177.40 1ijj s ALA 765 N -4.58 1.97 1.28 3.43 0.00 -1.12 -5.13 121.76 117.62 1ijj s ALA 765 Ca -0.04 -1.76 -0.18 0.00 0.00 0.00 0.00 51.96 49.98 1ijj s ALA 765 Cb 0.15 0.25 0.30 0.00 0.00 0.00 0.00 23.12 23.82 1ijj s ALA 765 CO 0.53 -0.13 0.79 0.41 0.00 0.00 0.00 175.76 177.36 1ijj n GLY 766 N -0.44 -2.88 0.27 0.00 0.00 -1.26 -4.72 105.19 96.16 1ijj n GLY 766 Ca -0.06 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1ijj n GLY 766 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ijj n PRO 767 N -4.73 0.66 0.15 1.61 -0.04 -1.26 -2.65 135.00 128.74 1ijj n PRO 767 Ca 0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 1ijj n PRO 767 Cb 0.56 -1.18 0.21 0.00 -0.04 0.00 0.00 33.50 33.04 1ijj n PRO 767 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ijj h SER 768 N 0.18 0.00 0.00 3.54 4.64 -1.93 -3.33 113.55 116.65 1ijj h SER 768 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ijj h SER 768 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1ijj h SER 768 CO 0.00 0.01 0.63 -0.29 -0.87 0.00 0.00 176.83 176.32 1ijj h ILE 769 N 0.00 0.00 -0.53 0.95 6.09 -1.83 -2.43 117.51 119.77 1ijj h ILE 769 Ca 0.00 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.44 1ijj h ILE 769 Cb 0.89 0.25 -0.02 0.00 0.47 0.00 0.00 36.82 38.41 1ijj h ILE 769 CO 0.00 0.00 0.13 0.58 -3.07 0.00 0.00 178.15 175.79 1ijj h VAL 770 N 0.00 1.24 -0.24 2.19 2.07 -1.87 -3.25 116.25 116.39 1ijj h VAL 770 Ca 0.00 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1ijj h VAL 770 Cb 1.26 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1ijj h VAL 770 CO 0.00 0.31 -0.10 0.45 0.02 0.00 0.00 177.57 178.26 1ijj h HIS 771 N 0.73 0.41 0.13 1.57 3.86 -1.76 -3.16 115.15 116.93 1ijj h HIS 771 Ca 0.17 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1ijj h HIS 771 Cb 0.33 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1ijj h HIS 771 CO 0.02 0.48 -0.25 0.00 0.86 0.00 0.00 177.93 179.04 1ijj h ARG 772 N 0.37 -0.40 -4.25 2.45 2.47 -1.76 -3.42 114.38 109.84 1ijj h ARG 772 Ca 0.07 0.03 -0.55 0.00 -1.26 0.00 0.00 59.98 58.27 1ijj h ARG 772 Cb 0.40 0.09 0.04 0.00 -1.65 0.00 0.00 29.97 28.85 1ijj h ARG 772 CO 0.02 -0.26 -0.01 1.63 0.56 0.00 0.00 179.97 181.90 1ijj n LYS 773 N -3.86 0.00 0.00 0.04 4.76 -1.20 -5.21 118.16 112.69 1ijj n LYS 773 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1ijj n LYS 773 Cb 0.21 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1ijj n LYS 773 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03