#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9f s LEU 416 N 0.00 2.15 -0.48 -5.58 2.96 -1.26 -4.67 118.68 111.80 3k9f s LEU 416 Ca 0.00 -0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 53.21 3k9f s LEU 416 Cb 0.00 -1.26 0.10 0.00 0.50 0.00 0.00 46.19 45.53 3k9f s LEU 416 CO 0.00 0.26 0.38 -0.89 -1.32 0.00 0.00 176.35 174.78 3k9f s THR 417 N -0.78 4.79 0.87 3.68 2.01 -0.62 -5.00 115.64 120.59 3k9f s THR 417 Ca 0.11 -1.40 -0.12 0.00 0.31 0.00 0.00 61.69 60.59 3k9f s THR 417 Cb -0.10 -3.99 0.11 0.00 0.01 0.00 0.00 72.50 68.53 3k9f s THR 417 CO 0.02 -0.68 1.10 -2.84 -0.69 0.00 0.00 174.62 171.53 3k9f s PRO 418 N 1.52 1.51 0.29 4.92 0.02 -1.26 -1.20 135.00 140.81 3k9f s PRO 418 Ca 0.04 0.64 -0.15 0.00 0.02 0.00 0.00 61.00 61.55 3k9f s PRO 418 Cb -0.26 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 3k9f s PRO 418 CO 0.03 -2.02 0.71 0.00 -0.33 0.00 0.00 177.00 175.39 3k9f s ALA 419 N -3.08 3.37 0.36 -1.55 0.00 -1.26 -4.70 121.76 114.90 3k9f s ALA 419 Ca 0.63 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.65 3k9f s ALA 419 Cb -0.16 -2.73 0.68 0.00 0.00 0.00 0.00 23.12 20.91 3k9f s ALA 419 CO 0.55 0.36 1.94 0.37 0.00 0.00 0.00 175.76 178.98 3k9f h GLN 420 N 2.50 0.57 -6.28 0.00 4.15 -1.37 -3.43 115.11 111.25 3k9f h GLN 420 Ca -0.48 -0.08 -0.59 0.00 0.77 0.00 0.00 58.65 58.27 3k9f h GLN 420 Cb 1.18 -0.10 -0.18 0.00 0.21 0.00 0.00 27.48 28.58 3k9f h GLN 420 CO 0.66 0.50 -0.80 -1.12 -1.93 0.00 0.00 178.83 176.14 3k9f s SER 421 N -6.69 3.09 -0.27 -0.69 0.01 -1.24 -5.09 113.70 102.82 3k9f s SER 421 Ca -0.08 -0.87 -0.12 0.00 1.31 0.00 0.00 55.95 56.19 3k9f s SER 421 Cb 0.16 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 66.13 3k9f s SER 421 CO 0.76 0.05 0.23 -1.59 0.41 0.00 0.00 173.24 173.09 3k9f s LYS 422 N -2.77 3.99 -0.32 12.44 0.00 -1.26 -4.87 119.74 126.95 3k9f s LYS 422 Ca 0.19 -0.22 0.04 0.00 0.00 0.00 0.00 55.97 55.98 3k9f s LYS 422 Cb -0.07 -3.64 0.17 0.00 0.00 0.00 0.00 37.83 34.30 3k9f s LYS 422 CO 0.09 -0.16 0.49 1.21 0.00 0.00 0.00 175.35 176.98 3k9f s ASN 423 N 1.60 -0.41 0.00 0.03 2.47 -1.26 -5.01 114.94 112.36 3k9f s ASN 423 Ca 0.09 -0.44 0.00 0.00 0.42 0.00 0.00 52.86 52.94 3k9f s ASN 423 Cb -0.16 1.45 0.00 0.00 -1.45 0.00 0.00 41.25 41.09 3k9f s ASN 423 CO 0.10 -0.30 0.74 -2.65 -3.72 0.00 0.00 177.10 171.27 3k9f n PRO 424 N 5.08 0.00 -0.04 0.43 -0.02 -1.26 -2.57 135.00 136.62 3k9f n PRO 424 Ca 0.05 0.27 -0.16 0.00 -2.02 0.00 0.00 63.50 61.65 3k9f n PRO 424 Cb 0.51 -1.57 -0.14 0.00 -0.02 0.00 0.00 33.50 32.29 3k9f n PRO 424 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k9f n ALA 425 N -1.24 1.24 -3.12 3.55 0.00 -1.26 -3.21 120.51 116.46 3k9f n ALA 425 Ca 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 53.44 52.43 3k9f n ALA 425 Cb 0.07 -0.54 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 3k9f n ALA 425 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3k9f n LYS 426 N -3.22 0.97 -4.48 0.00 4.81 -1.06 -4.66 118.16 110.51 3k9f n LYS 426 Ca -0.31 -3.15 -0.22 0.00 -0.87 0.00 0.00 58.31 53.76 3k9f n LYS 426 Cb 1.05 -1.59 -0.16 0.00 0.02 0.00 0.00 35.03 34.35 3k9f n LYS 426 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3k9f s ASN 427 N -2.22 1.48 -0.09 3.14 -0.87 -1.20 -4.86 114.94 110.31 3k9f s ASN 427 Ca 0.37 -0.24 0.01 0.00 -1.57 0.00 0.00 52.86 51.44 3k9f s ASN 427 Cb 0.34 -0.56 -0.02 0.00 -0.02 0.00 0.00 41.25 40.98 3k9f s ASN 427 CO -0.08 0.04 -0.12 -1.61 -2.57 0.00 0.00 177.10 172.76 3k9f s GLU 428 N 0.47 3.00 -0.29 -0.60 2.02 -0.62 -1.12 118.70 121.55 3k9f s GLU 428 Ca -0.09 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 3k9f s GLU 428 Cb -0.13 -2.55 0.05 0.00 0.10 0.00 0.00 34.13 31.61 3k9f s GLU 428 CO 0.02 0.42 -0.02 -1.17 0.02 0.00 0.00 175.26 174.53 3k9f s LEU 429 N -0.18 3.79 -0.20 1.80 1.98 0.04 0.40 118.68 126.30 3k9f s LEU 429 Ca 0.00 -1.26 -0.16 0.00 -2.89 0.00 0.00 54.13 49.82 3k9f s LEU 429 Cb -0.13 -1.69 -0.04 0.00 0.66 0.00 0.00 46.19 44.99 3k9f s LEU 429 CO 0.03 -0.24 0.43 -0.31 -1.89 0.00 0.00 176.35 174.37 3k9f s TYR 430 N 1.24 3.37 -0.36 5.38 2.02 -0.18 -0.96 117.35 127.86 3k9f s TYR 430 Ca -0.05 0.65 -0.13 0.00 -0.37 0.00 0.00 57.07 57.17 3k9f s TYR 430 Cb -0.20 -2.56 -0.01 0.00 -0.40 0.00 0.00 41.96 38.80 3k9f s TYR 430 CO -0.02 -0.04 0.25 -0.51 -1.57 0.00 0.00 175.55 173.66 3k9f s LEU 431 N 1.40 4.64 -0.02 -1.29 1.43 -0.03 -0.80 118.68 124.01 3k9f s LEU 431 Ca 0.20 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3k9f s LEU 431 Cb -0.15 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3k9f s LEU 431 CO 0.08 -0.29 -0.16 -0.69 0.23 0.00 0.00 176.35 175.52 3k9f s VAL 432 N 1.70 2.89 -0.55 -1.59 1.01 -1.13 -0.48 120.40 122.25 3k9f s VAL 432 Ca 0.05 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 3k9f s VAL 432 Cb -0.18 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.12 3k9f s VAL 432 CO 0.10 0.51 0.76 -0.70 0.00 0.00 0.00 175.10 175.77 3k9f s GLU 433 N -0.93 3.15 0.00 2.72 2.12 -0.93 -0.75 118.70 124.08 3k9f s GLU 433 Ca 0.12 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.63 3k9f s GLU 433 Cb -0.11 -4.14 0.00 0.00 0.26 0.00 0.00 34.13 30.15 3k9f s GLU 433 CO 0.02 -1.42 0.00 0.41 -0.54 0.00 0.00 175.26 173.73 3k9f n GLY 434 N 5.20 3.93 0.36 -1.50 0.00 -0.90 -4.57 105.19 107.71 3k9f n GLY 434 Ca -0.05 -1.33 0.04 0.00 0.00 0.00 0.00 46.02 44.68 3k9f n GLY 434 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k9f h ASP 435 N 0.00 0.83 0.03 1.61 3.32 -1.88 -1.06 116.42 119.27 3k9f h ASP 435 Ca 0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k9f h ASP 435 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3k9f h ASP 435 CO 0.00 0.55 -0.01 0.28 -1.72 0.00 0.00 179.24 178.34 3k9f h SER 436 N 0.96 -0.03 -0.57 6.45 0.02 -1.96 -1.81 113.55 116.60 3k9f h SER 436 Ca 0.35 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3k9f h SER 436 Cb 0.15 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3k9f h SER 436 CO -0.12 0.45 0.27 0.00 -1.14 0.00 0.00 176.83 176.29 3k9f h ALA 437 N 0.43 1.34 -0.99 3.77 0.00 -1.79 -1.84 119.26 120.17 3k9f h ALA 437 Ca -0.00 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.91 3k9f h ALA 437 Cb 0.49 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3k9f h ALA 437 CO 0.01 0.51 0.61 0.78 0.00 0.00 0.00 179.25 181.15 3k9f h GLY 438 N 0.95 1.67 0.76 0.00 0.00 -1.07 0.40 103.07 105.77 3k9f h GLY 438 Ca 0.21 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3k9f h GLY 438 CO -0.02 0.07 -0.40 -1.33 0.00 0.00 0.00 176.54 174.86 3k9f h GLY 439 N 0.89 -1.04 0.18 4.60 0.00 -0.48 0.28 103.07 107.51 3k9f h GLY 439 Ca 0.52 0.45 0.15 0.00 0.00 0.00 0.00 47.33 48.45 3k9f h GLY 439 CO -0.31 -0.36 0.40 1.76 0.00 0.00 0.00 176.54 178.03 3k9f h SER 440 N -0.94 0.45 -0.32 0.19 0.02 -1.07 -0.21 113.55 111.67 3k9f h SER 440 Ca -0.07 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3k9f h SER 440 Cb 0.78 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 3k9f h SER 440 CO 0.03 0.18 0.10 0.00 -1.14 0.00 0.00 176.83 176.00 3k9f h ALA 441 N 1.56 0.42 -0.42 3.77 0.00 0.04 -0.05 119.26 124.58 3k9f h ALA 441 Ca 0.45 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.29 3k9f h ALA 441 Cb 0.67 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3k9f h ALA 441 CO -0.38 0.05 -0.05 1.57 0.00 0.00 0.00 179.25 180.45 3k9f h LYS 442 N 0.36 0.05 0.25 0.00 2.10 0.22 -2.85 116.57 116.71 3k9f h LYS 442 Ca 0.10 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.74 3k9f h LYS 442 Cb 0.25 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 3k9f h LYS 442 CO -0.00 0.04 -0.12 1.96 -2.00 0.00 0.00 179.45 179.32 3k9f h GLN 443 N 0.06 -0.33 -4.07 0.07 4.20 -0.61 -3.38 115.11 111.05 3k9f h GLN 443 Ca 0.20 0.02 -0.76 0.00 0.06 0.00 0.00 58.65 58.17 3k9f h GLN 443 Cb 0.31 0.07 -0.24 0.00 0.30 0.00 0.00 27.48 27.92 3k9f h GLN 443 CO -0.38 -0.20 -0.13 0.20 -0.67 0.00 0.00 178.83 177.65 3k9f s GLY 444 N -2.20 2.20 0.00 3.46 0.00 -0.07 -4.96 107.32 105.74 3k9f s GLY 444 Ca -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 44.72 41.88 3k9f s GLY 444 CO 0.64 1.24 0.00 -0.96 0.00 0.00 0.00 173.10 174.02 3k9f n ARG 445 N 5.04 0.00 -2.78 2.90 1.85 -1.25 -4.42 116.66 117.99 3k9f n ARG 445 Ca -0.08 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.35 3k9f n ARG 445 Cb 0.42 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.79 3k9f n ARG 445 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3k9f s ASP 446 N 0.00 6.36 0.20 2.89 3.68 -1.26 -4.91 116.67 123.64 3k9f s ASP 446 Ca 0.00 -0.25 0.26 0.00 2.13 0.00 0.00 52.55 54.69 3k9f s ASP 446 Cb 0.00 -2.46 0.88 0.00 -1.45 0.00 0.00 42.92 39.89 3k9f s ASP 446 CO 0.00 -1.28 1.77 -2.11 0.13 0.00 0.00 175.17 173.68 3k9f n ARG 447 N 7.66 0.22 0.15 4.34 1.85 -1.26 -1.98 116.66 127.64 3k9f n ARG 447 Ca 0.03 0.24 0.16 0.00 -1.00 0.00 0.00 57.85 57.29 3k9f n ARG 447 Cb 0.48 -1.79 0.75 0.00 -1.05 0.00 0.00 32.46 30.84 3k9f n ARG 447 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3k9f h LYS 448 N 0.00 0.00 0.00 2.89 1.57 -1.95 -1.28 116.57 117.80 3k9f h LYS 448 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k9f h LYS 448 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3k9f h LYS 448 CO 0.00 0.00 -0.03 1.97 -0.57 0.00 0.00 179.45 180.82 3k9f n PHE 449 N -4.12 0.00 -4.59 -1.35 -1.74 -1.16 -3.66 117.46 100.83 3k9f n PHE 449 Ca 0.03 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.68 3k9f n PHE 449 Cb 0.37 0.23 -0.16 0.00 1.52 0.00 0.00 39.48 41.44 3k9f n PHE 449 CO 0.00 0.00 0.00 1.14 -0.56 0.00 0.00 176.76 177.34 3k9f s GLN 450 N 0.00 1.64 0.15 3.97 -2.07 -0.83 -1.59 119.66 120.93 3k9f s GLN 450 Ca 0.00 -0.42 0.05 0.00 -1.82 0.00 0.00 55.36 53.17 3k9f s GLN 450 Cb 0.00 -1.38 -0.04 0.00 -1.09 0.00 0.00 33.01 30.51 3k9f s GLN 450 CO 0.00 0.05 0.09 0.00 -1.32 0.00 0.00 175.29 174.12 3k9f s ALA 451 N 0.57 3.47 -0.05 2.60 0.00 0.16 -4.38 121.76 124.14 3k9f s ALA 451 Ca -0.13 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.65 3k9f s ALA 451 Cb -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.69 3k9f s ALA 451 CO 0.03 0.54 -0.15 0.42 0.00 0.00 0.00 175.76 176.60 3k9f s ILE 452 N -1.68 1.27 -0.34 0.00 1.01 -0.34 -1.01 121.20 120.10 3k9f s ILE 452 Ca 0.30 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 3k9f s ILE 452 Cb -0.10 -1.11 0.13 0.00 0.01 0.00 0.00 42.46 41.39 3k9f s ILE 452 CO 0.22 0.37 0.19 -0.22 0.00 0.00 0.00 174.94 175.50 3k9f s LEU 453 N 0.21 1.19 0.45 2.97 0.20 0.02 -1.60 118.68 122.12 3k9f s LEU 453 Ca -0.06 -1.99 -0.21 0.00 0.69 0.00 0.00 54.13 52.55 3k9f s LEU 453 Cb -0.12 -0.50 -0.09 0.00 -0.43 0.00 0.00 46.19 45.04 3k9f s LEU 453 CO 0.02 -0.34 1.01 -2.16 -0.29 0.00 0.00 176.35 174.59 3k9f s PRO 454 N 1.26 4.02 -0.14 0.98 0.05 -1.26 -2.82 135.00 137.09 3k9f s PRO 454 Ca 0.15 1.31 -0.02 0.00 0.05 0.00 0.00 61.00 62.50 3k9f s PRO 454 Cb -0.21 -2.22 -0.02 0.00 0.05 0.00 0.00 34.50 32.09 3k9f s PRO 454 CO -0.10 -0.24 -0.08 -0.51 0.05 0.00 0.00 177.00 176.13 3k9f s LEU 455 N -3.20 3.05 -0.52 -3.56 1.43 0.07 -4.88 118.68 111.07 3k9f s LEU 455 Ca 0.64 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.35 3k9f s LEU 455 Cb -0.15 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.42 3k9f s LEU 455 CO 0.19 0.19 0.65 -0.13 0.23 0.00 0.00 176.35 177.48 3k9f s ARG 456 N 0.22 3.12 1.27 1.70 1.81 -1.26 -2.12 118.95 123.70 3k9f s ARG 456 Ca -0.05 -0.91 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 3k9f s ARG 456 Cb -0.14 -4.12 0.00 0.00 -0.45 0.00 0.00 34.95 30.24 3k9f s ARG 456 CO 0.04 -1.28 0.00 0.41 -0.68 0.00 0.00 175.30 173.79 3k9f n GLY 457 N 5.18 -1.55 3.74 -3.53 0.00 -1.26 -4.86 105.19 102.92 3k9f n GLY 457 Ca -0.06 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 3k9f n GLY 457 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k9f n LYS 458 N -1.64 2.64 -2.80 1.61 4.76 -1.26 -4.97 118.16 116.50 3k9f n LYS 458 Ca 0.00 0.94 -0.36 0.00 -2.87 0.00 0.00 58.31 56.02 3k9f n LYS 458 Cb 0.10 -2.71 -0.07 0.00 -1.84 0.00 0.00 35.03 30.51 3k9f n LYS 458 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3k9f s VAL 459 N -0.04 4.25 0.39 -0.18 1.01 -1.26 -4.98 120.40 119.60 3k9f s VAL 459 Ca 0.64 1.75 -0.26 0.00 0.00 0.00 0.00 61.98 64.11 3k9f s VAL 459 Cb -0.51 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 3k9f s VAL 459 CO 0.49 0.07 1.23 -0.38 0.00 0.00 0.00 175.10 176.51 3k9f n ILE 460 N 0.37 2.34 -2.67 2.22 5.41 -1.26 -4.92 119.36 120.85 3k9f n ILE 460 Ca 0.03 -0.50 -0.43 0.00 1.00 0.00 0.00 62.75 62.85 3k9f n ILE 460 Cb 0.51 -1.50 -0.03 0.00 -0.71 0.00 0.00 39.64 37.91 3k9f n ILE 460 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3k9f s ASN 461 N -0.49 6.52 0.00 4.38 3.84 -1.26 -4.90 114.94 123.04 3k9f s ASN 461 Ca 0.59 0.21 0.26 0.00 0.21 0.00 0.00 52.86 54.14 3k9f s ASN 461 Cb -0.54 -2.52 1.33 0.00 -0.55 0.00 0.00 41.25 38.97 3k9f s ASN 461 CO 0.59 -1.27 1.88 0.35 -2.79 0.00 0.00 177.10 175.87 3k9f n THR 462 N 6.65 0.03 0.45 -5.21 -2.24 -1.26 -2.63 114.28 110.07 3k9f n THR 462 Ca 0.09 -0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 3k9f n THR 462 Cb 0.49 -0.04 0.11 0.00 -2.10 0.00 0.00 70.33 68.78 3k9f n THR 462 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k9f h ALA 463 N 4.02 0.53 -2.57 6.98 0.00 -1.91 -3.43 119.26 122.88 3k9f h ALA 463 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 3k9f h ALA 463 Cb 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.62 3k9f h ALA 463 CO 0.00 0.00 -0.85 0.21 0.00 0.00 0.00 179.25 178.61 3k9f s LYS 464 N -3.22 0.55 0.00 0.00 2.20 -1.08 -4.43 119.74 113.76 3k9f s LYS 464 Ca 0.04 -1.34 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 3k9f s LYS 464 Cb 0.12 -1.29 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 3k9f s LYS 464 CO 0.75 -1.21 0.00 0.00 -0.36 0.00 0.00 175.35 174.52 3k9f n ALA 465 N 4.02 0.00 -2.17 3.13 0.00 -1.26 -4.64 120.51 119.59 3k9f n ALA 465 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.35 3k9f n ALA 465 Cb 0.37 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.85 3k9f n ALA 465 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3k9f s LYS 466 N -2.00 2.35 0.19 0.00 1.02 -1.26 -5.01 119.74 115.03 3k9f s LYS 466 Ca 0.00 -1.73 -0.03 0.00 0.02 0.00 0.00 55.97 54.23 3k9f s LYS 466 Cb 0.00 -2.44 0.10 0.00 -0.52 0.00 0.00 37.83 34.96 3k9f s LYS 466 CO 0.00 -0.67 1.49 1.98 -0.92 0.00 0.00 175.35 177.23 3k9f h MET 467 N 0.49 0.53 0.05 1.68 4.05 -2.00 -3.00 114.93 116.73 3k9f h MET 467 Ca -0.34 -0.35 0.02 0.00 -0.28 0.00 0.00 59.70 58.75 3k9f h MET 467 Cb 1.29 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 32.09 3k9f h MET 467 CO 0.48 0.97 -0.45 0.00 0.23 0.00 0.00 176.91 178.14 3k9f h ALA 468 N 0.96 -0.77 -0.87 0.39 0.00 -2.01 -1.93 119.26 115.03 3k9f h ALA 468 Ca -0.00 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.97 3k9f h ALA 468 Cb 1.14 0.78 -0.09 0.00 0.00 0.00 0.00 17.79 19.62 3k9f h ALA 468 CO 0.11 -1.01 0.49 -0.44 0.00 0.00 0.00 179.25 178.40 3k9f h ASP 469 N -0.64 0.66 0.48 0.00 3.32 -1.95 -2.34 116.42 115.96 3k9f h ASP 469 Ca 0.03 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3k9f h ASP 469 Cb 0.69 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3k9f h ASP 469 CO -0.30 0.33 -0.23 0.40 -1.72 0.00 0.00 179.24 177.72 3k9f h ILE 470 N 0.75 0.52 0.00 0.35 2.04 -1.23 -2.67 117.51 117.27 3k9f h ILE 470 Ca 0.45 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 66.08 3k9f h ILE 470 Cb 0.54 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3k9f h ILE 470 CO -0.31 0.03 -0.35 -0.07 0.00 0.00 0.00 178.15 177.45 3k9f h LEU 471 N -0.73 0.00 0.00 1.44 3.38 -1.21 -1.45 115.31 116.75 3k9f h LEU 471 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3k9f h LEU 471 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3k9f h LEU 471 CO 0.11 0.35 0.00 0.29 0.09 0.00 0.00 178.44 179.28 3k9f n LYS 472 N -4.09 0.56 -2.95 1.13 4.76 -0.90 -4.63 118.16 112.05 3k9f n LYS 472 Ca -0.02 0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 3k9f n LYS 472 Cb 0.39 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.04 3k9f n LYS 472 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3k9f s ASN 473 N -2.17 7.04 0.13 4.39 3.84 -0.55 -4.99 114.94 122.64 3k9f s ASN 473 Ca 0.29 1.26 -0.20 0.00 0.21 0.00 0.00 52.86 54.43 3k9f s ASN 473 Cb 0.15 -2.45 -0.02 0.00 -0.55 0.00 0.00 41.25 38.37 3k9f s ASN 473 CO 0.27 -0.21 1.72 -0.33 -2.79 0.00 0.00 177.10 175.76 3k9f h GLU 474 N 6.91 0.06 0.17 0.43 5.08 -1.88 -1.72 114.58 123.64 3k9f h GLU 474 Ca -0.38 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3k9f h GLU 474 Cb 1.19 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 3k9f h GLU 474 CO 0.77 0.04 -0.10 0.93 -1.00 0.00 0.00 179.01 179.66 3k9f h GLU 475 N 0.07 -0.25 -0.28 2.33 4.39 -1.95 -1.28 114.58 117.60 3k9f h GLU 475 Ca 0.10 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.85 3k9f h GLU 475 Cb 0.12 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 3k9f h GLU 475 CO -0.17 -0.17 0.06 0.82 -1.16 0.00 0.00 179.01 178.39 3k9f h ILE 476 N -0.26 0.87 -0.62 3.13 2.04 -1.84 -1.95 117.51 118.88 3k9f h ILE 476 Ca -0.02 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3k9f h ILE 476 Cb 0.21 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3k9f h ILE 476 CO 0.02 0.03 0.30 0.78 0.00 0.00 0.00 178.15 179.28 3k9f h ASN 477 N 0.16 0.82 -0.42 1.72 4.21 -1.19 -0.00 115.58 120.88 3k9f h ASN 477 Ca 0.13 -0.13 -0.10 0.00 1.21 0.00 0.00 56.30 57.40 3k9f h ASN 477 Cb 0.14 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.11 3k9f h ASN 477 CO -0.17 0.73 -0.10 0.71 -1.29 0.00 0.00 177.43 177.30 3k9f h THR 478 N 0.86 1.26 -0.06 2.81 1.35 -1.11 0.70 112.91 118.73 3k9f h THR 478 Ca 0.21 -1.20 0.03 0.00 -0.55 0.00 0.00 66.41 64.90 3k9f h THR 478 Cb 0.13 1.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.51 3k9f h THR 478 CO -0.03 0.42 -0.16 0.24 -0.25 0.00 0.00 175.52 175.74 3k9f h MET 479 N 0.79 -0.23 0.21 4.72 2.86 -1.12 0.02 114.93 122.19 3k9f h MET 479 Ca 0.13 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3k9f h MET 479 Cb 0.62 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 3k9f h MET 479 CO 0.04 -0.15 -0.22 0.82 1.06 0.00 0.00 176.91 178.46 3k9f h ILE 480 N -0.23 0.52 -0.19 -1.22 2.04 -0.33 -1.37 117.51 116.73 3k9f h ILE 480 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3k9f h ILE 480 Cb 0.33 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3k9f h ILE 480 CO -0.19 0.00 0.08 1.88 0.00 0.00 0.00 178.15 179.91 3k9f h TYR 481 N -0.47 0.14 -0.94 1.37 0.05 -0.81 0.02 116.97 116.34 3k9f h TYR 481 Ca 0.00 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.80 3k9f h TYR 481 Cb 0.44 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.10 3k9f h TYR 481 CO -0.16 0.07 0.62 1.79 -1.05 0.00 0.00 178.16 179.43 3k9f h THR 482 N 0.17 1.23 -0.09 -2.88 1.35 -0.85 -3.03 112.91 108.81 3k9f h THR 482 Ca 0.08 -0.43 -0.13 0.00 -0.55 0.00 0.00 66.41 65.38 3k9f h THR 482 Cb 0.04 -0.14 0.01 0.00 -1.73 0.00 0.00 68.15 66.32 3k9f h THR 482 CO -0.07 0.23 -0.44 0.40 -0.25 0.00 0.00 175.52 175.39 3k9f h ILE 483 N 1.26 1.38 0.00 6.82 2.04 -0.94 -3.48 117.51 124.60 3k9f h ILE 483 Ca 0.35 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.41 3k9f h ILE 483 Cb -0.13 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3k9f h ILE 483 CO -0.08 0.53 0.00 0.61 0.00 0.00 0.00 178.15 179.21 3k9f n GLY 484 N 0.70 2.13 0.00 5.37 0.00 -0.03 -3.49 105.19 109.86 3k9f n GLY 484 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3k9f n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k9f n ALA 485 N 0.07 0.00 0.00 4.61 0.00 -1.26 -4.82 120.51 119.10 3k9f n ALA 485 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k9f n ALA 485 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3k9f n ALA 485 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k9f n GLY 486 N -0.54 0.19 0.00 0.00 0.00 -1.19 -4.39 105.19 99.25 3k9f n GLY 486 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3k9f n GLY 486 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3k9f n VAL 487 N 0.00 0.00 -2.40 1.61 3.14 -1.26 -4.74 118.33 114.68 3k9f n VAL 487 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 3k9f n VAL 487 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3k9f n VAL 487 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3k9f s ASP 490 N 0.00 6.26 0.28 6.55 1.01 -1.26 -5.03 116.67 124.48 3k9f s ASP 490 Ca 0.00 1.09 -0.01 0.00 0.71 0.00 0.00 52.55 54.34 3k9f s ASP 490 Cb 0.00 -2.32 0.63 0.00 1.01 0.00 0.00 42.92 42.25 3k9f s ASP 490 CO 0.00 -0.67 1.63 0.15 0.21 0.00 0.00 175.17 176.50 3k9f h PHE 491 N 0.07 0.19 -0.30 4.23 -0.00 -1.85 -3.47 116.94 115.80 3k9f h PHE 491 Ca -0.46 0.05 0.00 0.00 -0.00 0.00 0.00 57.97 57.56 3k9f h PHE 491 Cb 1.20 0.05 0.00 0.00 -0.00 0.00 0.00 35.95 37.20 3k9f h PHE 491 CO 0.61 -0.24 0.00 0.45 -0.00 0.00 0.00 178.31 179.12 3k9f n SER 492 N -5.29 -0.91 0.00 0.41 2.88 -1.26 -3.19 113.62 106.26 3k9f n SER 492 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 3k9f n SER 492 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 3k9f n SER 492 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3k9f n ILE 493 N 0.00 0.00 -1.67 2.46 5.41 -1.26 -4.96 119.36 119.34 3k9f n ILE 493 Ca 0.00 0.00 -0.53 0.00 1.00 0.00 0.00 62.75 63.22 3k9f n ILE 493 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 3k9f n ILE 493 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3k9f n GLU 494 N 0.00 1.42 -0.09 0.38 1.02 -1.26 -4.71 120.64 117.40 3k9f n GLU 494 Ca 0.00 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 3k9f n GLU 494 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 3k9f n GLU 494 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k9f n ALA 496 N 4.59 -1.00 -0.67 0.62 0.00 -1.26 -5.14 120.51 117.65 3k9f n ALA 496 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3k9f n ALA 496 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3k9f n ALA 496 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k9f n ASN 497 N -0.04 0.00 -4.14 0.00 2.85 -1.23 -4.61 115.26 108.10 3k9f n ASN 497 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 3k9f n ASN 497 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 3k9f n ASN 497 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3k9f s TYR 498 N 0.00 0.80 -1.87 1.20 2.02 -1.26 -4.35 117.35 113.89 3k9f s TYR 498 Ca 0.00 -0.84 0.20 0.00 -0.37 0.00 0.00 57.07 56.05 3k9f s TYR 498 Cb 0.00 -0.47 0.48 0.00 -0.40 0.00 0.00 41.96 41.57 3k9f s TYR 498 CO 0.00 -0.16 1.40 -3.47 -1.57 0.00 0.00 175.55 171.75 3k9f n ASP 499 N 0.29 3.50 -3.66 2.29 2.03 -0.28 -4.89 116.55 115.83 3k9f n ASP 499 Ca -0.15 -1.97 -0.07 0.00 0.52 0.00 0.00 54.79 53.12 3k9f n ASP 499 Cb 0.60 -0.34 -0.08 0.00 -0.72 0.00 0.00 41.12 40.57 3k9f n ASP 499 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3k9f s LYS 500 N -1.14 0.49 -0.26 -0.67 1.02 -1.15 -4.81 119.74 113.22 3k9f s LYS 500 Ca 0.39 1.10 -0.03 0.00 0.02 0.00 0.00 55.97 57.45 3k9f s LYS 500 Cb 0.21 0.29 0.02 0.00 -0.52 0.00 0.00 37.83 37.83 3k9f s LYS 500 CO 0.28 -0.19 -0.03 0.42 -0.92 0.00 0.00 175.35 174.92 3k9f s ILE 501 N 2.07 3.12 -0.18 2.17 1.01 -0.02 -0.78 121.20 128.59 3k9f s ILE 501 Ca -0.07 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 3k9f s ILE 501 Cb -0.09 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.79 3k9f s ILE 501 CO -0.16 0.16 -0.15 -0.63 0.00 0.00 0.00 174.94 174.16 3k9f s ILE 502 N 1.36 2.53 -0.24 2.92 1.01 -0.13 -0.43 121.20 128.22 3k9f s ILE 502 Ca 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 3k9f s ILE 502 Cb -0.17 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 3k9f s ILE 502 CO -0.03 0.51 0.45 -0.63 0.00 0.00 0.00 174.94 175.24 3k9f s ILE 503 N 1.12 5.14 -0.18 2.92 1.01 0.05 -0.85 121.20 130.41 3k9f s ILE 503 Ca 0.01 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.42 3k9f s ILE 503 Cb -0.14 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.60 3k9f s ILE 503 CO -0.06 0.16 -0.07 -0.32 0.00 0.00 0.00 174.94 174.66 3k9f s MET 504 N 1.89 1.66 0.33 2.79 1.75 0.37 -0.84 119.30 127.25 3k9f s MET 504 Ca 0.19 -0.67 0.06 0.00 -1.25 0.00 0.00 55.69 54.03 3k9f s MET 504 Cb -0.15 -2.21 -0.02 0.00 2.84 0.00 0.00 34.83 35.28 3k9f s MET 504 CO 0.09 -0.45 0.23 0.25 -0.65 0.00 0.00 175.02 174.50 3k9f n THR 505 N 4.79 0.00 -2.22 10.11 -2.24 -1.26 -2.18 114.28 121.28 3k9f n THR 505 Ca -0.13 -2.30 -0.38 0.00 -2.27 0.00 0.00 64.05 58.97 3k9f n THR 505 Cb 0.47 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.76 3k9f n THR 505 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3k9f s ASP 506 N -3.26 6.26 -1.38 3.42 1.01 -1.26 -4.78 116.67 116.68 3k9f s ASP 506 Ca 0.33 2.39 -0.12 0.00 0.71 0.00 0.00 52.55 55.86 3k9f s ASP 506 Cb 0.02 -2.61 0.09 0.00 1.01 0.00 0.00 42.92 41.43 3k9f s ASP 506 CO 0.23 -0.86 2.07 0.00 0.21 0.00 0.00 175.17 176.83 3k9f n ALA 507 N -0.24 5.43 -4.01 5.23 0.00 -1.26 -4.16 120.51 121.50 3k9f n ALA 507 Ca 0.06 -4.06 -0.15 0.00 0.00 0.00 0.00 53.44 49.29 3k9f n ALA 507 Cb 0.47 -3.30 -0.04 0.00 0.00 0.00 0.00 19.45 16.57 3k9f n ALA 507 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k9f n ASP 508 N 5.20 -1.09 -0.32 0.00 5.68 -1.26 -4.89 116.55 119.87 3k9f n ASP 508 Ca 0.47 -2.81 -0.04 0.00 -0.50 0.00 0.00 54.79 51.90 3k9f n ASP 508 Cb 0.38 2.13 0.08 0.00 -1.14 0.00 0.00 41.12 42.57 3k9f n ASP 508 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3k9f h THR 509 N 1.95 1.24 -0.07 2.12 1.35 -1.98 -0.81 112.91 116.70 3k9f h THR 509 Ca -0.24 -0.55 -0.16 0.00 -0.55 0.00 0.00 66.41 64.91 3k9f h THR 509 Cb 1.09 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 3k9f h THR 509 CO 0.33 0.26 -0.65 0.44 -0.25 0.00 0.00 175.52 175.65 3k9f h ASP 510 N 1.18 0.34 -0.67 5.36 3.32 -1.97 0.22 116.42 124.20 3k9f h ASP 510 Ca 0.31 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3k9f h ASP 510 Cb -0.02 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3k9f h ASP 510 CO -0.06 0.90 0.31 1.23 -1.72 0.00 0.00 179.24 179.90 3k9f h GLY 511 N 1.44 1.04 0.98 2.75 0.00 -1.60 -0.94 103.07 106.74 3k9f h GLY 511 Ca -0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 3k9f h GLY 511 CO 0.10 0.50 0.26 0.00 0.00 0.00 0.00 176.54 177.40 3k9f h ALA 512 N 1.14 0.57 -0.64 3.60 0.00 -0.43 -1.34 119.26 122.17 3k9f h ALA 512 Ca 0.23 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3k9f h ALA 512 Cb 0.14 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 3k9f h ALA 512 CO -0.03 0.08 0.28 1.25 0.00 0.00 0.00 179.25 180.83 3k9f h HIS 513 N 0.59 0.50 -0.49 0.00 6.17 -0.52 -2.38 115.15 119.01 3k9f h HIS 513 Ca 0.16 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.23 3k9f h HIS 513 Cb 0.02 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 29.80 3k9f h HIS 513 CO -0.03 0.17 0.14 0.82 0.71 0.00 0.00 177.93 179.74 3k9f h ILE 514 N 0.49 1.20 -0.58 6.26 2.04 -0.43 -1.99 117.51 124.51 3k9f h ILE 514 Ca 0.31 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3k9f h ILE 514 Cb 0.34 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3k9f h ILE 514 CO -0.27 0.26 0.23 1.56 0.00 0.00 0.00 178.15 179.93 3k9f h GLN 515 N 0.71 0.87 -0.38 2.37 4.20 -0.79 -1.48 115.11 120.61 3k9f h GLN 515 Ca 0.16 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 58.78 3k9f h GLN 515 Cb 0.22 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 3k9f h GLN 515 CO -0.01 0.74 0.01 1.15 -0.67 0.00 0.00 178.83 180.06 3k9f h THR 516 N 0.80 0.73 -0.54 -0.54 2.02 -1.10 0.13 112.91 114.43 3k9f h THR 516 Ca 0.19 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 3k9f h THR 516 Cb 0.20 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3k9f h THR 516 CO -0.02 0.02 0.01 -0.07 0.37 0.00 0.00 175.52 175.83 3k9f h LEU 517 N 0.12 0.92 -0.06 2.58 3.38 -1.14 -0.75 115.31 120.36 3k9f h LEU 517 Ca 0.18 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3k9f h LEU 517 Cb 0.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k9f h LEU 517 CO -0.29 1.00 -0.11 -0.07 0.09 0.00 0.00 178.44 179.05 3k9f h LEU 518 N 0.82 0.21 -0.86 1.67 3.38 -1.13 -2.77 115.31 116.62 3k9f h LEU 518 Ca 0.15 -0.55 0.08 0.00 0.09 0.00 0.00 57.88 57.65 3k9f h LEU 518 Cb 0.52 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 3k9f h LEU 518 CO 0.03 0.72 0.52 -0.07 0.09 0.00 0.00 178.44 179.73 3k9f h LEU 519 N -0.29 0.80 -0.90 1.67 3.38 -0.72 0.04 115.31 119.29 3k9f h LEU 519 Ca 0.00 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3k9f h LEU 519 Cb 0.68 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 3k9f h LEU 519 CO 0.03 0.49 0.56 0.71 0.09 0.00 0.00 178.44 180.31 3k9f h THR 520 N 0.92 1.01 0.52 0.22 1.35 -1.14 0.31 112.91 116.11 3k9f h THR 520 Ca 0.39 -0.34 -0.03 0.00 -0.55 0.00 0.00 66.41 65.89 3k9f h THR 520 Cb 0.26 -0.06 0.01 0.00 -1.73 0.00 0.00 68.15 66.62 3k9f h THR 520 CO -0.20 0.18 -0.25 0.15 -0.25 0.00 0.00 175.52 175.15 3k9f h PHE 521 N 0.98 -0.65 -0.62 4.73 3.04 -0.78 -0.30 116.94 123.35 3k9f h PHE 521 Ca 0.41 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.39 3k9f h PHE 521 Cb 0.24 0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.92 3k9f h PHE 521 CO -0.03 -0.33 0.34 0.74 -2.02 0.00 0.00 178.31 177.01 3k9f h PHE 522 N -0.89 0.62 0.11 0.41 0.04 -0.74 -0.13 116.94 116.37 3k9f h PHE 522 Ca -0.07 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.74 3k9f h PHE 522 Cb 0.61 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 3k9f h PHE 522 CO -0.00 0.30 -0.27 -0.92 -0.60 0.00 0.00 178.31 176.82 3k9f h TYR 523 N 0.64 -0.71 -0.34 -0.55 3.20 -0.32 -1.85 116.97 117.03 3k9f h TYR 523 Ca 0.27 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 3k9f h TYR 523 Cb 0.16 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3k9f h TYR 523 CO -0.08 -0.37 -0.11 0.00 -1.64 0.00 0.00 178.16 175.95 3k9f h ARG 524 N -0.47 0.67 0.00 1.82 2.47 -0.23 -3.29 114.38 115.35 3k9f h ARG 524 Ca 0.03 -0.27 -0.25 0.00 -1.26 0.00 0.00 59.98 58.23 3k9f h ARG 524 Cb 0.50 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.75 3k9f h ARG 524 CO -0.16 0.86 -1.78 0.66 0.56 0.00 0.00 179.97 180.11 3k9f n TYR 525 N -4.39 0.00 0.12 3.04 4.02 -0.14 -4.67 117.16 115.14 3k9f n TYR 525 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.82 3k9f n TYR 525 Cb 0.36 -0.69 0.02 0.00 -0.02 0.00 0.00 39.34 39.01 3k9f n TYR 525 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3k9f n MET 526 N -4.16 1.24 -0.33 -0.72 2.81 -0.86 -4.78 117.12 110.32 3k9f n MET 526 Ca -0.34 -0.52 0.20 0.00 -1.81 0.00 0.00 57.70 55.24 3k9f n MET 526 Cb 0.69 -1.20 0.46 0.00 -0.71 0.00 0.00 33.22 32.45 3k9f n MET 526 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3k9f h ARG 527 N 0.57 0.47 0.00 0.03 2.43 -1.43 0.43 114.38 116.88 3k9f h ARG 527 Ca 0.10 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3k9f h ARG 527 Cb 1.17 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3k9f h ARG 527 CO 0.22 0.31 -0.24 -1.35 -1.51 0.00 0.00 179.97 177.39 3k9f h PRO 528 N 0.48 0.00 -0.44 0.20 0.11 -1.87 -2.71 132.00 127.78 3k9f h PRO 528 Ca 0.60 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.80 3k9f h PRO 528 Cb 1.36 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.39 3k9f h PRO 528 CO -0.35 0.24 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.54 3k9f h LEU 529 N 0.00 -0.33 -0.45 2.35 3.38 -1.26 -1.15 115.31 117.86 3k9f h LEU 529 Ca -0.00 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3k9f h LEU 529 Cb 0.47 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3k9f h LEU 529 CO 0.03 -0.12 -0.12 0.58 0.09 0.00 0.00 178.44 178.90 3k9f h VAL 530 N 0.03 1.27 -0.66 1.22 2.07 -1.61 0.17 116.25 118.75 3k9f h VAL 530 Ca 0.21 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 3k9f h VAL 530 Cb 0.32 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3k9f h VAL 530 CO -0.42 0.43 0.34 -0.33 0.02 0.00 0.00 177.57 177.61 3k9f h GLU 531 N 0.71 0.94 -0.39 1.57 5.08 -1.11 -0.20 114.58 121.17 3k9f h GLU 531 Ca 0.11 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3k9f h GLU 531 Cb 0.67 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3k9f h GLU 531 CO 0.05 0.72 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 3k9f n ALA 532 N -2.34 2.25 -3.36 3.43 0.00 -0.49 -4.87 120.51 115.13 3k9f n ALA 532 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 3k9f n ALA 532 Cb 0.11 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.62 3k9f n ALA 532 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k9f n GLY 533 N 0.20 -0.47 0.19 0.00 0.00 -0.09 -4.93 105.19 100.10 3k9f n GLY 533 Ca 0.00 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.31 3k9f n GLY 533 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k9f n HIS 534 N -4.75 0.00 -3.90 1.61 8.25 0.04 -4.89 115.22 111.58 3k9f n HIS 534 Ca -0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3k9f n HIS 534 Cb 0.58 -0.12 -0.12 0.00 1.12 0.00 0.00 29.99 31.44 3k9f n HIS 534 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3k9f s VAL 535 N -2.70 4.23 0.33 1.59 1.01 -1.26 -0.84 120.40 122.76 3k9f s VAL 535 Ca 0.18 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.05 3k9f s VAL 535 Cb 0.18 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 3k9f s VAL 535 CO 0.62 0.39 -0.10 -0.31 0.00 0.00 0.00 175.10 175.70 3k9f s TYR 536 N 1.24 2.41 -0.03 5.22 2.02 0.43 -1.69 117.35 126.96 3k9f s TYR 536 Ca 0.04 -0.44 0.05 0.00 -0.37 0.00 0.00 57.07 56.34 3k9f s TYR 536 Cb -0.15 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3k9f s TYR 536 CO 0.03 0.60 -0.16 0.42 -1.57 0.00 0.00 175.55 174.86 3k9f s ILE 537 N -2.56 1.33 0.17 2.71 1.01 -0.10 -0.77 121.20 122.99 3k9f s ILE 537 Ca 0.32 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 3k9f s ILE 537 Cb 0.00 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 3k9f s ILE 537 CO 0.17 0.38 0.39 0.00 0.00 0.00 0.00 174.94 175.88 3k9f s ALA 538 N -0.14 3.79 -0.56 9.38 0.00 -0.02 -0.26 121.76 133.95 3k9f s ALA 538 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3k9f s ALA 538 Cb -0.09 -2.10 0.14 0.00 0.00 0.00 0.00 23.12 21.07 3k9f s ALA 538 CO 0.01 0.57 0.33 -0.51 0.00 0.00 0.00 175.76 176.17 3k9f s LEU 539 N -2.91 4.85 0.57 0.00 1.43 -1.16 -4.77 118.68 116.68 3k9f s LEU 539 Ca 0.41 -2.83 -0.20 0.00 -1.03 0.00 0.00 54.13 50.47 3k9f s LEU 539 Cb -0.12 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3k9f s LEU 539 CO 0.26 -0.32 1.29 -2.84 0.23 0.00 0.00 176.35 174.97 3k9f s PRO 540 N -0.03 3.06 0.47 1.29 0.02 -1.26 -4.81 135.00 133.74 3k9f s PRO 540 Ca 0.16 2.06 -0.22 0.00 0.02 0.00 0.00 61.00 63.02 3k9f s PRO 540 Cb -0.23 -2.12 -0.07 0.00 0.02 0.00 0.00 34.50 32.10 3k9f s PRO 540 CO -0.02 -1.20 1.13 -1.25 -0.33 0.00 0.00 177.00 175.33 3k9f s PRO 541 N -3.07 3.73 0.11 5.54 0.04 -1.26 -4.94 135.00 135.15 3k9f s PRO 541 Ca 0.74 1.67 0.23 0.00 0.04 0.00 0.00 61.00 63.68 3k9f s PRO 541 Cb -0.36 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 3k9f s PRO 541 CO 0.41 -0.55 0.93 1.28 0.04 0.00 0.00 177.00 179.11 3k9f n LEU 542 N -0.64 0.59 -3.94 -3.56 4.77 -0.71 -4.76 117.00 108.75 3k9f n LEU 542 Ca 0.08 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 3k9f n LEU 542 Cb 0.49 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 3k9f n LEU 542 CO 0.45 -0.08 -0.38 -0.31 -1.33 0.00 0.00 177.39 175.75 3k9f s TYR 543 N -3.34 0.26 -0.04 -1.77 2.02 -0.85 -1.27 117.35 112.35 3k9f s TYR 543 Ca -0.01 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.55 3k9f s TYR 543 Cb 0.12 -0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.50 3k9f s TYR 543 CO 0.82 -0.05 -0.20 0.21 -1.57 0.00 0.00 175.55 174.76 3k9f s LYS 544 N -0.53 1.88 -0.07 -0.62 2.20 -0.80 -1.52 119.74 120.28 3k9f s LYS 544 Ca -0.04 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 54.90 3k9f s LYS 544 Cb -0.04 -1.68 -0.02 0.00 -1.51 0.00 0.00 37.83 34.58 3k9f s LYS 544 CO -0.00 0.34 -0.15 1.41 -0.36 0.00 0.00 175.35 176.58 3k9f s MET 545 N -0.18 2.67 -0.04 4.03 1.75 0.48 -0.51 119.30 127.50 3k9f s MET 545 Ca 0.00 -0.71 -0.03 0.00 -1.25 0.00 0.00 55.69 53.70 3k9f s MET 545 Cb -0.11 -2.41 0.01 0.00 2.84 0.00 0.00 34.83 35.17 3k9f s MET 545 CO 0.01 0.52 0.10 -1.54 -0.65 0.00 0.00 175.02 173.47 3k9f s SER 546 N -0.47 -0.10 -0.27 1.11 1.04 -0.87 -0.71 113.70 113.43 3k9f s SER 546 Ca 0.06 0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.60 3k9f s SER 546 Cb -0.12 0.20 0.11 0.00 0.10 0.00 0.00 66.02 66.31 3k9f s SER 546 CO 0.02 -0.05 0.58 -0.54 0.98 0.00 0.00 173.24 174.23 3k9f s LYS 547 N 0.20 0.52 0.15 4.02 3.01 -0.48 -2.10 119.74 125.06 3k9f s LYS 547 Ca -0.01 1.31 -0.28 0.00 -1.01 0.00 0.00 55.97 55.98 3k9f s LYS 547 Cb -0.02 0.64 -0.07 0.00 -1.01 0.00 0.00 37.83 37.37 3k9f s LYS 547 CO -0.01 -0.21 0.86 0.15 0.51 0.00 0.00 175.35 176.66 3k9f s LYS 549 N 2.67 4.67 7.33 1.68 -0.14 -1.26 -0.41 119.74 134.27 3k9f s LYS 549 Ca -0.05 1.30 0.00 0.00 -1.36 0.00 0.00 55.97 55.85 3k9f s LYS 549 Cb -0.11 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 3k9f s LYS 549 CO -0.17 0.43 0.00 0.41 -0.76 0.00 0.00 175.35 175.26 3k9f n GLY 550 N 1.85 2.48 0.29 -3.33 0.00 -1.26 -3.52 105.19 101.69 3k9f n GLY 550 Ca -0.02 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.76 3k9f n GLY 550 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3k9f h LYS 551 N 0.00 0.23 -2.63 1.61 1.63 -2.07 -3.00 116.57 112.35 3k9f h LYS 551 Ca 0.00 -0.01 -0.70 0.00 -0.85 0.00 0.00 60.65 59.09 3k9f h LYS 551 Cb 0.00 -0.05 -0.35 0.00 -0.60 0.00 0.00 32.23 31.22 3k9f h LYS 551 CO 0.00 0.15 0.04 0.36 -3.45 0.00 0.00 179.45 176.55 3k9f n LYS 552 N -4.51 3.36 -4.58 1.90 0.00 -1.23 -5.00 118.16 108.10 3k9f n LYS 552 Ca 0.00 -4.61 -0.34 0.00 -0.00 0.00 0.00 58.31 53.37 3k9f n LYS 552 Cb 0.10 -2.38 -0.12 0.00 -0.00 0.00 0.00 35.03 32.63 3k9f n LYS 552 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3k9f s GLU 553 N -2.49 3.22 0.06 -1.58 2.12 -1.14 -4.12 118.70 114.77 3k9f s GLU 553 Ca 0.35 -0.57 0.07 0.00 0.36 0.00 0.00 54.97 55.18 3k9f s GLU 553 Cb 0.08 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 3k9f s GLU 553 CO 0.02 0.42 -0.15 -1.21 -0.54 0.00 0.00 175.26 173.80 3k9f s GLU 554 N -0.14 2.09 -0.02 4.30 0.41 0.45 -4.94 118.70 120.86 3k9f s GLU 554 Ca 0.01 -0.99 -0.03 0.00 -0.41 0.00 0.00 54.97 53.56 3k9f s GLU 554 Cb -0.13 -2.24 0.01 0.00 -1.78 0.00 0.00 34.13 29.99 3k9f s GLU 554 CO 0.03 0.53 0.07 0.08 -0.49 0.00 0.00 175.26 175.48 3k9f s VAL 555 N -1.02 0.01 0.20 2.63 1.01 -1.25 -1.38 120.40 120.60 3k9f s VAL 555 Ca 0.17 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3k9f s VAL 555 Cb -0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 3k9f s VAL 555 CO 0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 175.10 175.08 3k9f s ALA 556 N -0.07 1.78 0.05 5.51 0.00 0.12 -4.93 121.76 124.22 3k9f s ALA 556 Ca -0.01 -1.67 0.08 0.00 0.00 0.00 0.00 51.96 50.36 3k9f s ALA 556 Cb -0.01 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3k9f s ALA 556 CO 0.00 -0.12 -0.22 0.71 0.00 0.00 0.00 175.76 176.13 3k9f s TYR 557 N -3.26 1.92 0.04 0.00 1.51 -1.26 -0.38 117.35 115.91 3k9f s TYR 557 Ca 0.23 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 3k9f s TYR 557 Cb 0.03 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 3k9f s TYR 557 CO 0.06 0.11 -0.07 0.00 -1.11 0.00 0.00 175.55 174.54 3k9f s ALA 558 N -0.84 0.54 -0.50 3.71 0.00 -0.58 -5.01 121.76 119.09 3k9f s ALA 558 Ca 0.08 -0.72 0.11 0.00 0.00 0.00 0.00 51.96 51.43 3k9f s ALA 558 Cb -0.09 0.04 -0.12 0.00 0.00 0.00 0.00 23.12 22.95 3k9f s ALA 558 CO 0.02 -0.02 0.45 0.91 0.00 0.00 0.00 175.76 177.13 3k9f n TRP 559 N 1.56 0.00 -3.94 0.00 8.01 -1.26 -1.74 117.44 120.07 3k9f n TRP 559 Ca -0.22 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 55.88 3k9f n TRP 559 Cb 0.55 -0.01 -0.07 0.00 -2.01 0.00 0.00 31.31 29.77 3k9f n TRP 559 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3k9f s THR 560 N -2.05 0.11 0.10 -0.99 -4.23 -1.26 -4.66 115.64 102.66 3k9f s THR 560 Ca 0.04 -1.37 -0.20 0.00 -1.18 0.00 0.00 61.69 58.98 3k9f s THR 560 Cb 0.08 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 72.23 3k9f s THR 560 CO 0.45 -0.48 1.10 -0.90 -0.54 0.00 0.00 174.62 174.24 3k9f n ASP 561 N -0.13 -0.69 -0.01 3.99 5.75 -1.26 -2.13 116.55 122.07 3k9f n ASP 561 Ca -0.10 1.25 -0.12 0.00 -0.01 0.00 0.00 54.79 55.81 3k9f n ASP 561 Cb 0.63 -0.20 -0.07 0.00 -1.03 0.00 0.00 41.12 40.45 3k9f n ASP 561 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3k9f h GLY 562 N 0.00 0.12 0.73 6.12 0.00 -2.00 -2.80 103.07 105.25 3k9f h GLY 562 Ca 0.10 -0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.44 3k9f h GLY 562 CO -0.61 0.07 0.61 0.83 0.00 0.00 0.00 176.54 177.44 3k9f h GLU 563 N -0.13 0.99 -0.10 4.80 5.08 -1.92 0.34 114.58 123.64 3k9f h GLU 563 Ca 0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3k9f h GLU 563 Cb 0.28 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3k9f h GLU 563 CO 0.00 0.65 0.06 1.25 -1.00 0.00 0.00 179.01 179.97 3k9f h LEU 564 N 1.02 0.12 -0.59 1.33 7.12 -1.39 -0.56 115.31 122.36 3k9f h LEU 564 Ca 0.42 -0.05 0.12 0.00 0.13 0.00 0.00 57.88 58.50 3k9f h LEU 564 Cb 0.30 -0.03 -0.09 0.00 -0.53 0.00 0.00 40.66 40.30 3k9f h LEU 564 CO -0.18 0.13 0.05 -0.33 -0.13 0.00 0.00 178.44 177.98 3k9f h GLU 565 N 0.09 0.16 0.06 1.25 4.39 -0.73 -0.73 114.58 119.08 3k9f h GLU 565 Ca 0.04 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.75 3k9f h GLU 565 Cb 0.04 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 3k9f h GLU 565 CO -0.01 0.11 -0.41 1.05 -1.16 0.00 0.00 179.01 178.59 3k9f h GLU 566 N 0.16 -0.59 -0.33 2.33 -0.00 -0.41 -3.13 114.58 112.61 3k9f h GLU 566 Ca 0.31 0.04 0.04 0.00 -0.00 0.00 0.00 59.36 59.75 3k9f h GLU 566 Cb 0.49 0.13 -0.04 0.00 -0.00 0.00 0.00 28.75 29.33 3k9f h GLU 566 CO -0.47 -0.39 0.10 -0.07 -0.00 0.00 0.00 179.01 178.18 3k9f h LEU 567 N -0.61 0.08 -0.86 3.06 3.38 0.01 -2.69 115.31 117.69 3k9f h LEU 567 Ca 0.03 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3k9f h LEU 567 Cb 0.66 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 3k9f h LEU 567 CO -0.27 0.08 0.54 0.03 0.09 0.00 0.00 178.44 178.91 3k9f h ARG 568 N 0.23 0.96 -0.55 1.13 3.08 -1.16 0.86 114.38 118.94 3k9f h ARG 568 Ca 0.15 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3k9f h ARG 568 Cb 0.14 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3k9f h ARG 568 CO -0.17 0.64 0.15 1.57 -1.07 0.00 0.00 179.97 181.08 3k9f h LYS 569 N 0.99 0.87 0.68 0.04 -0.00 -1.46 -0.49 116.57 117.19 3k9f h LYS 569 Ca 0.37 -0.20 -0.03 0.00 -0.00 0.00 0.00 60.65 60.79 3k9f h LYS 569 Cb 0.15 -0.12 0.01 0.00 -0.00 0.00 0.00 32.23 32.26 3k9f h LYS 569 CO -0.16 0.81 -0.33 -0.56 -0.00 0.00 0.00 179.45 179.21 3k9f h GLN 570 N 0.77 -0.88 0.00 0.07 -0.00 -1.06 -2.79 115.11 111.22 3k9f h GLN 570 Ca 0.17 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.88 3k9f h GLN 570 Cb 0.32 0.20 0.00 0.00 -0.00 0.00 0.00 27.48 28.00 3k9f h GLN 570 CO -0.00 -0.58 0.00 1.19 -0.00 0.00 0.00 178.83 179.44 3k9f n PHE 571 N -5.47 0.00 0.00 0.06 3.01 0.23 -4.99 117.46 110.31 3k9f n PHE 571 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 3k9f n PHE 571 Cb 0.38 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 3k9f n PHE 571 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k9f n GLY 572 N -0.34 0.00 3.80 1.37 0.00 -0.20 -4.25 105.19 105.57 3k9f n GLY 572 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3k9f n GLY 572 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k9f s LYS 573 N 0.00 2.51 0.00 1.61 1.02 -1.26 -3.06 119.74 120.56 3k9f s LYS 573 Ca 0.00 0.93 0.00 0.00 0.02 0.00 0.00 55.97 56.92 3k9f s LYS 573 Cb 0.00 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 3k9f s LYS 573 CO 0.00 -1.39 0.00 0.41 -0.92 0.00 0.00 175.35 173.45 3k9f n GLY 574 N -1.78 2.46 3.70 -3.33 0.00 -1.26 -5.01 105.19 99.96 3k9f n GLY 574 Ca 0.08 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3k9f n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k9f s ALA 575 N -1.00 3.67 0.10 4.61 0.00 -1.17 -4.92 121.76 123.04 3k9f s ALA 575 Ca 0.00 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.17 3k9f s ALA 575 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3k9f s ALA 575 CO 0.00 -0.87 0.04 0.95 0.00 0.00 0.00 175.76 175.88 3k9f s THR 576 N 1.86 4.21 -0.08 0.00 -4.23 -0.89 -4.93 115.64 111.58 3k9f s THR 576 Ca 0.69 -0.95 -0.00 0.00 -1.18 0.00 0.00 61.69 60.25 3k9f s THR 576 Cb -0.39 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 3k9f s THR 576 CO 0.30 0.09 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.21 3k9f s LEU 577 N -2.44 3.32 -0.08 4.79 2.96 -1.26 -2.05 118.68 123.92 3k9f s LEU 577 Ca 0.27 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3k9f s LEU 577 Cb -0.12 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3k9f s LEU 577 CO 0.20 0.36 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.91 3k9f s GLN 578 N -0.78 2.83 -0.35 1.98 0.74 0.33 -4.98 119.66 119.42 3k9f s GLN 578 Ca 0.12 -0.61 -0.09 0.00 0.05 0.00 0.00 55.36 54.83 3k9f s GLN 578 Cb -0.11 -2.56 0.03 0.00 1.10 0.00 0.00 33.01 31.47 3k9f s GLN 578 CO 0.02 0.56 0.16 1.03 -0.55 0.00 0.00 175.29 176.51 3k9f s ARG 579 N -0.55 2.80 -0.13 1.67 0.52 -1.26 -1.91 118.95 120.08 3k9f s ARG 579 Ca 0.08 -1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 53.91 3k9f s ARG 579 Cb -0.12 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 3k9f s ARG 579 CO 0.02 -0.65 1.66 0.71 0.02 0.00 0.00 175.30 177.05 3k9f s TYR 580 N 1.50 2.01 -2.21 -0.53 2.02 -0.40 -4.85 117.35 114.88 3k9f s TYR 580 Ca 0.01 0.36 0.26 0.00 -0.37 0.00 0.00 57.07 57.32 3k9f s TYR 580 Cb -0.19 -3.93 0.67 0.00 -0.40 0.00 0.00 41.96 38.11 3k9f s TYR 580 CO 0.05 -3.48 1.52 1.63 -1.57 0.00 0.00 175.55 173.70 3k9f n LYS 581 N 7.39 1.37 0.00 -0.62 5.02 -1.26 -4.89 118.16 125.16 3k9f n LYS 581 Ca 0.18 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 3k9f n LYS 581 Cb 0.44 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3k9f n LYS 581 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k9f n GLY 582 N 1.30 -0.14 0.18 0.72 0.00 -1.26 -4.84 105.19 101.14 3k9f n GLY 582 Ca 0.14 -0.97 0.03 0.00 0.00 0.00 0.00 46.02 45.22 3k9f n GLY 582 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k9f h LEU 583 N 0.00 0.00 -2.30 0.99 3.38 -1.94 -3.00 115.31 112.44 3k9f h LEU 583 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3k9f h LEU 583 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k9f h LEU 583 CO 0.00 0.43 -0.05 1.23 0.09 0.00 0.00 178.44 180.15 3k9f h GLY 584 N 1.58 0.00 1.77 0.83 0.00 -1.95 -2.23 103.07 103.07 3k9f h GLY 584 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k9f h GLY 584 CO 0.06 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.78 3k9f n GLU 585 N -3.65 0.22 -4.81 4.80 1.02 -1.13 -4.81 120.64 112.28 3k9f n GLU 585 Ca -0.02 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.81 3k9f n GLU 585 Cb 0.15 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 3k9f n GLU 585 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k9f s MET 586 N -2.77 1.99 0.33 3.49 0.23 -0.84 -5.09 119.30 116.64 3k9f s MET 586 Ca 0.22 -1.01 -0.06 0.00 -1.03 0.00 0.00 55.69 53.81 3k9f s MET 586 Cb 0.20 -2.11 0.08 0.00 -1.53 0.00 0.00 34.83 31.47 3k9f s MET 586 CO 0.49 0.54 0.37 0.09 -2.03 0.00 0.00 175.02 174.48 3k9f n ASN 587 N 1.74 -0.61 -0.03 -1.18 3.02 -1.26 -4.82 115.26 112.11 3k9f n ASN 587 Ca -0.16 -0.94 -0.19 0.00 -0.03 0.00 0.00 54.58 53.26 3k9f n ASN 587 Cb 0.52 -0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 39.25 3k9f n ASN 587 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k9f h ALA 588 N -2.07 0.08 -0.85 5.41 0.00 -1.96 -1.63 119.26 118.24 3k9f h ALA 588 Ca -0.13 -0.83 0.07 0.00 0.00 0.00 0.00 54.91 54.03 3k9f h ALA 588 Cb 0.37 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 3k9f h ALA 588 CO 0.09 0.42 0.52 0.38 0.00 0.00 0.00 179.25 180.65 3k9f h ASP 589 N -0.71 0.79 -0.16 0.00 2.03 -1.91 -0.96 116.42 115.49 3k9f h ASP 589 Ca -0.17 0.03 -0.00 0.00 -0.73 0.00 0.00 57.03 56.15 3k9f h ASP 589 Cb 1.37 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 3k9f h ASP 589 CO 0.00 0.49 0.10 1.56 -1.03 0.00 0.00 179.24 180.35 3k9f h GLN 590 N 0.91 0.22 -0.88 4.15 4.20 -1.93 0.10 115.11 121.89 3k9f h GLN 590 Ca 0.39 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.19 3k9f h GLN 590 Cb 0.24 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 3k9f h GLN 590 CO -0.20 0.19 0.51 1.25 -0.67 0.00 0.00 178.83 179.92 3k9f h LEU 591 N 0.18 0.72 0.77 1.46 6.46 -0.88 -0.39 115.31 123.64 3k9f h LEU 591 Ca 0.06 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.83 3k9f h LEU 591 Cb 0.03 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 39.88 3k9f h LEU 591 CO -0.01 0.39 -0.37 -0.25 -0.62 0.00 0.00 178.44 177.58 3k9f h TRP 592 N 0.82 -0.96 -0.39 1.25 2.91 -0.72 -1.42 115.95 117.44 3k9f h TRP 592 Ca 0.44 -0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.51 3k9f h TRP 592 Cb 0.44 0.32 -0.07 0.00 -0.51 0.00 0.00 29.16 29.34 3k9f h TRP 592 CO -0.05 -0.58 -0.05 0.93 -1.03 0.00 0.00 178.44 177.66 3k9f h GLU 593 N -1.11 0.05 0.00 2.65 4.39 -0.29 -1.25 114.58 119.01 3k9f h GLU 593 Ca -0.11 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 3k9f h GLU 593 Cb 0.81 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 3k9f h GLU 593 CO 0.17 0.03 -1.31 0.25 -1.16 0.00 0.00 179.01 176.99 3k9f n THR 594 N -5.25 0.99 -0.93 1.13 -2.24 -0.20 -4.55 114.28 103.24 3k9f n THR 594 Ca 0.02 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3k9f n THR 594 Cb 0.21 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 3k9f n THR 594 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3k9f n THR 595 N -2.81 0.00 0.00 4.28 -2.24 -0.58 -4.48 114.28 108.44 3k9f n THR 595 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3k9f n THR 595 Cb 0.75 1.51 0.00 0.00 -2.10 0.00 0.00 70.33 70.49 3k9f n THR 595 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3k9f n MET 596 N 0.00 3.45 -2.34 -0.78 2.00 -0.91 -4.83 117.12 113.71 3k9f n MET 596 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 3k9f n MET 596 Cb 0.19 -0.94 -0.02 0.00 0.00 0.00 0.00 33.22 32.45 3k9f n MET 596 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3k9f s ASN 597 N -2.77 6.22 0.41 7.83 2.47 -0.49 -4.89 114.94 123.72 3k9f s ASN 597 Ca 0.00 0.67 0.25 0.00 0.42 0.00 0.00 52.86 54.20 3k9f s ASN 597 Cb 0.00 -2.54 1.34 0.00 -1.45 0.00 0.00 41.25 38.60 3k9f s ASN 597 CO 0.00 -1.55 1.63 -0.65 -3.72 0.00 0.00 177.10 172.81 3k9f h PRO 598 N 11.02 0.13 -0.47 0.43 0.11 -1.92 0.21 132.00 141.51 3k9f h PRO 598 Ca -0.27 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.73 3k9f h PRO 598 Cb 1.11 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3k9f h PRO 598 CO 1.12 0.08 -0.11 0.93 -0.21 0.00 0.00 178.00 179.81 3k9f h GLU 599 N 0.13 0.86 0.00 1.05 3.07 -1.98 -3.33 114.58 114.37 3k9f h GLU 599 Ca 0.80 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3k9f h GLU 599 Cb 2.31 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 30.16 3k9f h GLU 599 CO -0.50 0.93 -1.53 0.25 -1.40 0.00 0.00 179.01 176.76 3k9f n THR 600 N -4.15 0.00 -2.09 1.13 -2.24 0.46 -5.02 114.28 102.36 3k9f n THR 600 Ca 0.01 -0.30 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 3k9f n THR 600 Cb 0.38 0.27 0.01 0.00 -2.10 0.00 0.00 70.33 68.89 3k9f n THR 600 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k9f s ARG 601 N -2.88 3.28 -0.15 -0.78 1.70 0.34 -4.89 118.95 115.57 3k9f s ARG 601 Ca -0.04 1.34 0.02 0.00 -0.47 0.00 0.00 55.73 56.57 3k9f s ARG 601 Cb 0.09 -2.02 0.02 0.00 -0.57 0.00 0.00 34.95 32.46 3k9f s ARG 601 CO 0.56 -0.86 -0.19 -0.08 -1.08 0.00 0.00 175.30 173.65 3k9f s THR 602 N -2.25 1.92 0.23 4.99 -1.32 -1.26 -4.94 115.64 113.01 3k9f s THR 602 Ca 0.66 -0.87 0.09 0.00 -1.21 0.00 0.00 61.69 60.36 3k9f s THR 602 Cb -0.18 -1.73 -0.04 0.00 -1.51 0.00 0.00 72.50 69.04 3k9f s THR 602 CO 0.34 0.52 -0.04 -0.76 -2.21 0.00 0.00 174.62 172.47 3k9f s LEU 603 N 1.09 3.12 -0.04 9.08 1.43 -1.26 -2.99 118.68 129.11 3k9f s LEU 603 Ca -0.01 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 3k9f s LEU 603 Cb -0.14 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3k9f s LEU 603 CO -0.07 0.04 0.04 -0.63 0.23 0.00 0.00 176.35 175.97 3k9f s ILE 604 N -2.07 4.54 -0.13 -0.59 1.01 0.64 -4.96 121.20 119.64 3k9f s ILE 604 Ca 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3k9f s ILE 604 Cb -0.07 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 3k9f s ILE 604 CO 0.18 0.46 -0.15 -0.60 0.00 0.00 0.00 174.94 174.83 3k9f s ARG 605 N -1.36 3.32 -0.12 2.79 3.52 -1.26 -0.92 118.95 124.92 3k9f s ARG 605 Ca 0.18 -0.72 -0.17 0.00 -0.13 0.00 0.00 55.73 54.89 3k9f s ARG 605 Cb -0.12 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 3k9f s ARG 605 CO 0.09 0.19 0.44 0.08 -0.81 0.00 0.00 175.30 175.29 3k9f s VAL 606 N 0.39 5.20 0.21 7.11 1.01 -0.68 -5.00 120.40 128.63 3k9f s VAL 606 Ca -0.12 0.87 0.08 0.00 0.00 0.00 0.00 61.98 62.82 3k9f s VAL 606 Cb -0.16 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3k9f s VAL 606 CO 0.06 0.35 -0.15 0.42 0.00 0.00 0.00 175.10 175.78 3k9f s THR 607 N 0.51 1.82 -0.12 3.92 -4.23 -1.26 -4.66 115.64 111.61 3k9f s THR 607 Ca 0.24 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 3k9f s THR 607 Cb -0.15 -2.05 -0.00 0.00 1.34 0.00 0.00 72.50 71.64 3k9f s THR 607 CO 0.09 -0.55 -0.19 -0.51 -0.54 0.00 0.00 174.62 172.92 3k9f s ILE 608 N -2.84 2.42 -0.38 2.99 1.10 -1.26 -5.08 121.20 118.15 3k9f s ILE 608 Ca 0.22 -0.88 -0.04 0.00 -0.51 0.00 0.00 60.65 59.45 3k9f s ILE 608 Cb -0.02 -1.97 0.09 0.00 0.15 0.00 0.00 42.46 40.71 3k9f s ILE 608 CO 0.08 0.54 0.17 -1.83 -2.11 0.00 0.00 174.94 171.78 3k9f s GLU 609 N 0.51 2.22 0.19 3.50 4.04 -1.26 -4.93 118.70 122.97 3k9f s GLU 609 Ca -0.13 -1.62 0.00 0.00 0.04 0.00 0.00 54.97 53.27 3k9f s GLU 609 Cb -0.17 -3.53 0.00 0.00 0.02 0.00 0.00 34.13 30.46 3k9f s GLU 609 CO 0.05 -0.94 0.00 -3.47 -1.84 0.00 0.00 175.26 169.06 3k9f n ASP 610 N 4.66 0.00 0.07 0.83 -0.08 -1.26 -4.84 116.55 115.94 3k9f n ASP 610 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 3k9f n ASP 610 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 3k9f n ASP 610 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3k9f n LEU 611 N 0.00 -0.86 -0.19 -2.67 7.94 -1.26 -4.88 117.00 115.08 3k9f n LEU 611 Ca 0.00 0.25 -0.02 0.00 -1.11 0.00 0.00 56.01 55.13 3k9f n LEU 611 Cb 0.00 1.02 0.08 0.00 0.53 0.00 0.00 43.42 45.05 3k9f n LEU 611 CO 0.00 -0.38 1.02 0.00 -1.11 0.00 0.00 177.39 176.91 3k9f h ALA 612 N 0.00 0.73 -0.36 1.96 0.00 -1.99 0.13 119.26 119.74 3k9f h ALA 612 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3k9f h ALA 612 Cb 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3k9f h ALA 612 CO 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.14 3k9f h ARG 613 N 0.49 0.10 0.19 0.00 2.47 -1.91 -1.11 114.38 114.61 3k9f h ARG 613 Ca 0.26 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.99 3k9f h ARG 613 Cb 0.23 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 3k9f h ARG 613 CO -0.21 0.07 -0.29 0.00 0.56 0.00 0.00 179.97 180.09 3k9f h ALA 614 N 1.31 -0.55 -0.80 0.04 0.00 -1.50 -2.28 119.26 115.48 3k9f h ALA 614 Ca 0.17 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3k9f h ALA 614 Cb 0.24 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 3k9f h ALA 614 CO -0.29 -0.85 0.42 1.49 0.00 0.00 0.00 179.25 180.02 3k9f h GLU 615 N -0.56 0.64 0.28 0.00 4.57 -0.43 0.32 114.58 119.41 3k9f h GLU 615 Ca 0.01 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3k9f h GLU 615 Cb 0.55 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3k9f h GLU 615 CO -0.12 0.43 -0.18 0.00 -1.18 0.00 0.00 179.01 177.95 3k9f h ARG 616 N 0.66 -0.43 -0.02 1.92 3.08 -1.01 -1.52 114.38 117.05 3k9f h ARG 616 Ca 0.41 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.51 3k9f h ARG 616 Cb 0.47 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3k9f h ARG 616 CO -0.30 -0.29 -0.09 -0.09 -1.07 0.00 0.00 179.97 178.13 3k9f h ARG 617 N -0.45 -0.15 -0.88 0.04 2.43 -0.77 0.09 114.38 114.70 3k9f h ARG 617 Ca -0.03 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3k9f h ARG 617 Cb 0.38 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 3k9f h ARG 617 CO 0.02 -0.10 0.55 0.28 -1.51 0.00 0.00 179.97 179.22 3k9f h VAL 618 N -0.15 1.08 -0.28 0.20 2.07 -0.95 -1.35 116.25 116.86 3k9f h VAL 618 Ca 0.04 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 67.05 3k9f h VAL 618 Cb 0.21 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3k9f h VAL 618 CO -0.11 0.19 -0.46 0.78 0.02 0.00 0.00 177.57 177.98 3k9f h ASN 619 N 1.03 0.79 -0.16 0.57 2.35 -0.80 0.45 115.58 119.82 3k9f h ASN 619 Ca 0.37 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 3k9f h ASN 619 Cb 0.12 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 3k9f h ASN 619 CO -0.16 1.13 -0.04 0.58 -1.65 0.00 0.00 177.43 177.29 3k9f h VAL 620 N 0.58 1.29 0.33 2.81 2.07 -0.66 -1.62 116.25 121.06 3k9f h VAL 620 Ca 0.03 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3k9f h VAL 620 Cb 1.02 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3k9f h VAL 620 CO 0.10 0.30 -0.16 -0.07 0.02 0.00 0.00 177.57 177.76 3k9f h LEU 621 N 0.00 -0.37 -0.21 2.57 3.38 -1.32 -3.36 115.31 116.00 3k9f h LEU 621 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3k9f h LEU 621 Cb 0.48 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3k9f h LEU 621 CO 0.02 -0.18 0.00 0.23 0.09 0.00 0.00 178.44 178.60 3k9f n MET 622 N -3.66 1.14 -2.55 1.13 2.81 0.15 -4.95 117.12 111.18 3k9f n MET 622 Ca -0.05 -0.21 -0.23 0.00 -1.81 0.00 0.00 57.70 55.40 3k9f n MET 622 Cb 0.17 -1.44 0.07 0.00 -0.71 0.00 0.00 33.22 31.32 3k9f n MET 622 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3k9f s GLY 623 N -1.86 1.78 0.42 3.03 0.00 -0.61 -4.25 107.32 105.83 3k9f s GLY 623 Ca 0.40 -1.45 0.19 0.00 0.00 0.00 0.00 44.72 43.86 3k9f s GLY 623 CO 0.32 -1.03 1.88 -0.55 0.00 0.00 0.00 173.10 173.72 3k9f h ASP 624 N -0.29 0.00 0.00 1.64 3.32 -1.82 -3.40 116.42 115.87 3k9f h ASP 624 Ca -0.40 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 3k9f h ASP 624 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3k9f h ASP 624 CO 0.48 0.29 -0.10 0.07 -1.72 0.00 0.00 179.24 178.25 3k9f h LYS 625 N 0.00 0.07 0.00 3.56 5.09 -1.93 -3.48 116.57 119.87 3k9f h LYS 625 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.66 3k9f h LYS 625 Cb 0.61 0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.97 3k9f h LYS 625 CO 0.04 0.86 0.00 0.28 -2.09 0.00 0.00 179.45 178.54 3k9f n VAL 626 N -4.62 0.00 -0.38 0.07 0.31 -1.26 -4.80 118.33 107.65 3k9f n VAL 626 Ca -0.10 0.00 0.33 0.00 -0.01 0.00 0.00 64.34 64.56 3k9f n VAL 626 Cb 0.44 0.00 0.59 0.00 -0.91 0.00 0.00 33.84 33.96 3k9f n VAL 626 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3k9f h GLU 627 N 0.00 0.10 -0.21 5.55 4.39 -1.98 0.54 114.58 122.97 3k9f h GLU 627 Ca 0.00 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 3k9f h GLU 627 Cb 0.00 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3k9f h GLU 627 CO 0.00 0.07 -0.37 -1.35 -1.16 0.00 0.00 179.01 176.20 3k9f h PRO 628 N 0.11 0.63 -0.46 2.33 0.11 -1.93 -2.28 132.00 130.51 3k9f h PRO 628 Ca 0.81 -0.39 0.06 0.00 0.11 0.00 0.00 66.00 66.60 3k9f h PRO 628 Cb 2.28 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 33.38 3k9f h PRO 628 CO -0.58 1.00 0.14 -0.09 -0.21 0.00 0.00 178.00 178.26 3k9f h ARG 629 N 0.32 0.28 -0.30 1.05 2.43 -0.22 0.44 114.38 118.38 3k9f h ARG 629 Ca 0.01 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3k9f h ARG 629 Cb 0.96 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.39 3k9f h ARG 629 CO 0.08 0.19 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.57 3k9f h ARG 630 N 0.29 0.00 -0.44 0.20 2.43 -0.69 0.38 114.38 116.55 3k9f h ARG 630 Ca 0.22 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3k9f h ARG 630 Cb 0.24 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3k9f h ARG 630 CO -0.25 0.00 0.19 -0.22 -1.51 0.00 0.00 179.97 178.19 3k9f h LYS 631 N 0.00 0.65 -0.79 0.20 3.64 -0.79 0.55 116.57 120.04 3k9f h LYS 631 Ca 0.14 -0.11 0.14 0.00 -1.27 0.00 0.00 60.65 59.55 3k9f h LYS 631 Cb 0.21 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.83 3k9f h LYS 631 CO -0.30 0.58 0.37 2.35 -2.27 0.00 0.00 179.45 180.18 3k9f h TRP 632 N 0.58 0.65 -0.21 1.91 7.01 0.54 0.82 115.95 127.24 3k9f h TRP 632 Ca 0.15 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.15 3k9f h TRP 632 Cb 0.16 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 3k9f h TRP 632 CO -0.00 0.14 -0.02 0.82 -2.79 0.00 0.00 178.44 176.59 3k9f h ILE 633 N 0.55 1.27 -0.72 2.65 2.04 -0.10 0.15 117.51 123.35 3k9f h ILE 633 Ca 0.43 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3k9f h ILE 633 Cb 0.60 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3k9f h ILE 633 CO -0.36 0.29 0.44 -0.33 0.00 0.00 0.00 178.15 178.18 3k9f h GLU 634 N 0.13 0.97 -0.11 2.37 5.08 -0.28 -1.41 114.58 121.33 3k9f h GLU 634 Ca 0.06 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 3k9f h GLU 634 Cb 0.44 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.49 3k9f h GLU 634 CO 0.01 0.67 -0.73 -0.44 -1.00 0.00 0.00 179.01 177.53 3k9f h ASP 635 N 0.99 0.83 0.00 1.42 3.32 -0.70 -3.43 116.42 118.85 3k9f h ASP 635 Ca 0.26 -0.66 -0.22 0.00 0.02 0.00 0.00 57.03 56.43 3k9f h ASP 635 Cb -0.05 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 3k9f h ASP 635 CO -0.05 1.36 -1.80 0.59 -1.72 0.00 0.00 179.24 177.62 3k9f n ASN 636 N -4.02 2.35 -4.60 6.45 3.02 0.03 -4.87 115.26 113.61 3k9f n ASN 636 Ca -0.08 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.04 3k9f n ASN 636 Cb 0.72 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 3k9f n ASN 636 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k9f s VAL 637 N -2.27 3.22 -1.24 2.41 1.01 -0.54 -4.94 120.40 118.04 3k9f s VAL 637 Ca -0.19 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 3k9f s VAL 637 Cb 0.06 -3.30 0.15 0.00 0.00 0.00 0.00 36.38 33.29 3k9f s VAL 637 CO 0.30 -0.20 1.54 2.29 0.00 0.00 0.00 175.10 179.03 3k9f n LYS 638 N 8.64 3.36 -2.45 2.72 0.00 -1.26 -4.74 118.16 124.43 3k9f n LYS 638 Ca 0.27 -3.71 -0.41 0.00 -0.00 0.00 0.00 58.31 54.45 3k9f n LYS 638 Cb 0.46 -3.10 -0.03 0.00 -0.00 0.00 0.00 35.03 32.36 3k9f n LYS 638 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3k9f s PHE 639 N 1.87 2.32 -2.00 5.58 2.99 -1.26 -5.26 117.98 122.22 3k9f s PHE 639 Ca 0.44 0.35 0.04 0.00 0.00 0.00 0.00 56.93 57.76 3k9f s PHE 639 Cb -0.00 -4.46 0.22 0.00 0.00 0.00 0.00 43.02 38.77 3k9f s PHE 639 CO 0.01 -1.93 0.70 -2.37 -0.00 0.00 0.00 175.22 171.63