#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6h n VAL 391 N 0.00 0.64 -4.84 -0.18 0.31 -1.26 -4.98 118.33 108.02 3f6h n VAL 391 Ca 0.00 -0.33 -0.26 0.00 -0.01 0.00 0.00 64.34 63.74 3f6h n VAL 391 Cb 0.00 -0.82 -0.16 0.00 -0.91 0.00 0.00 33.84 31.95 3f6h n VAL 391 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3f6h s LEU 392 N -5.10 1.91 -0.07 7.52 0.20 -1.26 -4.09 118.68 117.79 3f6h s LEU 392 Ca -0.09 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.39 3f6h s LEU 392 Cb 0.03 -0.98 0.02 0.00 -0.43 0.00 0.00 46.19 44.83 3f6h s LEU 392 CO 0.33 0.15 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.54 3f6h s THR 393 N 0.06 1.10 -0.77 3.68 2.01 -0.59 -4.85 115.64 116.27 3f6h s THR 393 Ca -0.04 -0.44 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 3f6h s THR 393 Cb -0.12 -1.03 0.05 0.00 0.01 0.00 0.00 72.50 71.42 3f6h s THR 393 CO 0.02 0.35 1.22 -0.63 -0.69 0.00 0.00 174.62 174.89 3f6h s ILE 394 N 0.85 3.96 0.15 1.82 1.01 -1.26 0.18 121.20 127.90 3f6h s ILE 394 Ca -0.11 -0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 3f6h s ILE 394 Cb -0.15 -4.87 -0.00 0.00 0.01 0.00 0.00 42.46 37.44 3f6h s ILE 394 CO 0.02 -1.75 1.79 0.11 0.00 0.00 0.00 174.94 175.10 3f6h h LYS 395 N 9.81 0.50 -3.10 2.79 1.79 -0.14 -3.46 116.57 124.75 3f6h h LYS 395 Ca -0.18 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 3f6h h LYS 395 Cb 1.05 -0.11 -0.11 0.00 -1.58 0.00 0.00 32.23 31.48 3f6h h LYS 395 CO 1.27 0.36 0.14 -1.54 -1.08 0.00 0.00 179.45 178.60 3f6h s SER 396 N -5.58 -0.44 0.03 0.86 1.04 -0.99 -5.02 113.70 103.60 3f6h s SER 396 Ca -0.13 -0.19 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 3f6h s SER 396 Cb 0.10 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.84 3f6h s SER 396 CO 0.72 -1.01 0.36 0.00 0.98 0.00 0.00 173.24 174.29 3f6h s ASN 398 N -1.84 2.69 -0.07 0.00 3.04 -0.71 -4.95 114.94 113.11 3f6h s ASN 398 Ca -0.07 -0.65 0.05 0.00 0.04 0.00 0.00 52.86 52.22 3f6h s ASN 398 Cb -0.02 -0.70 -0.01 0.00 -1.54 0.00 0.00 41.25 38.98 3f6h s ASN 398 CO -0.01 -0.24 -0.22 -0.63 -3.04 0.00 0.00 177.10 172.96 3f6h s ILE 399 N 1.78 2.30 -0.08 -5.21 1.01 -1.26 -0.27 121.20 119.47 3f6h s ILE 399 Ca 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3f6h s ILE 399 Cb -0.16 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.49 3f6h s ILE 399 CO -0.07 0.57 0.15 -2.28 0.00 0.00 0.00 174.94 173.30 3f6h s HIS 400 N -0.14 -0.15 0.00 3.97 2.46 -0.74 -5.03 115.29 115.65 3f6h s HIS 400 Ca -0.04 0.56 0.00 0.00 0.47 0.00 0.00 55.06 56.05 3f6h s HIS 400 Cb -0.14 -0.26 0.00 0.00 -0.13 0.00 0.00 32.58 32.06 3f6h s HIS 400 CO 0.04 -0.25 0.00 -1.13 -2.47 0.00 0.00 174.74 170.93 3f6h n SER 401 N 5.16 0.00 0.00 9.88 3.41 -1.26 -2.06 113.62 128.75 3f6h n SER 401 Ca -0.08 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 3f6h n SER 401 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3f6h n SER 401 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f6h n GLY 402 N 0.00 3.15 3.65 5.00 0.00 -1.26 -4.81 105.19 110.92 3f6h n GLY 402 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 3f6h n GLY 402 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6h s ILE 403 N -2.15 3.30 0.00 -0.61 1.01 -1.26 -1.23 121.20 120.26 3f6h s ILE 403 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.00 3f6h s ILE 403 Cb 0.00 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.21 3f6h s ILE 403 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.49 3f6h n GLY 404 N 4.57 2.93 3.79 6.18 0.00 -1.26 -5.06 105.19 116.34 3f6h n GLY 404 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3f6h n GLY 404 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6h s ILE 405 N -2.79 5.16 -0.29 -0.61 -1.09 -0.36 -5.06 121.20 116.17 3f6h s ILE 405 Ca 0.00 0.75 -0.27 0.00 -2.23 0.00 0.00 60.65 58.89 3f6h s ILE 405 Cb 0.00 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3f6h s ILE 405 CO 0.00 0.49 0.98 -0.60 -1.23 0.00 0.00 174.94 174.57 3f6h s ARG 406 N -0.39 4.10 0.19 2.79 3.00 -1.26 -4.28 118.95 123.10 3f6h s ARG 406 Ca 0.22 1.01 -0.33 0.00 -1.00 0.00 0.00 55.73 55.63 3f6h s ARG 406 Cb -0.15 -3.70 -0.13 0.00 0.00 0.00 0.00 34.95 30.96 3f6h s ARG 406 CO 0.10 -0.75 1.57 -2.30 0.00 0.00 0.00 175.30 173.92 3f6h n PRO 407 N 6.50 2.26 -3.91 5.12 -0.02 -1.26 -4.83 135.00 138.86 3f6h n PRO 407 Ca 0.09 0.81 -0.09 0.00 -2.02 0.00 0.00 63.50 62.30 3f6h n PRO 407 Cb 0.47 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.30 3f6h n PRO 407 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3f6h s HIS 408 N 0.72 0.28 0.03 6.00 -3.43 -0.87 -1.75 115.29 116.26 3f6h s HIS 408 Ca 0.75 -0.67 -0.20 0.00 -0.80 0.00 0.00 55.06 54.15 3f6h s HIS 408 Cb -0.64 -0.05 0.04 0.00 -1.43 0.00 0.00 32.58 30.51 3f6h s HIS 408 CO 0.40 -0.64 0.46 0.00 -2.00 0.00 0.00 174.74 172.95 3f6h s ALA 409 N -3.92 -1.14 0.11 -1.38 0.00 0.03 -1.80 121.76 113.66 3f6h s ALA 409 Ca 0.12 0.49 0.10 0.00 0.00 0.00 0.00 51.96 52.66 3f6h s ALA 409 Cb 0.04 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3f6h s ALA 409 CO -0.05 -0.44 -0.22 -0.65 0.00 0.00 0.00 175.76 174.40 3f6h s GLN 410 N -2.22 1.65 0.02 0.00 -0.21 0.63 -1.90 119.66 117.62 3f6h s GLN 410 Ca -0.07 -1.23 0.04 0.00 0.02 0.00 0.00 55.36 54.12 3f6h s GLN 410 Cb -0.01 -2.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.96 3f6h s GLN 410 CO -0.00 0.47 -0.13 0.42 -2.12 0.00 0.00 175.29 173.93 3f6h s ILE 411 N -1.08 1.00 -0.21 1.08 1.01 0.24 -1.74 121.20 121.50 3f6h s ILE 411 Ca 0.16 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 3f6h s ILE 411 Cb -0.10 -0.88 0.07 0.00 0.01 0.00 0.00 42.46 41.56 3f6h s ILE 411 CO 0.08 0.11 0.06 -0.70 0.00 0.00 0.00 174.94 174.49 3f6h s GLU 412 N -0.74 0.53 0.08 2.79 2.12 -0.05 -1.72 118.70 121.71 3f6h s GLU 412 Ca 0.03 -0.46 0.09 0.00 0.36 0.00 0.00 54.97 54.98 3f6h s GLU 412 Cb -0.06 -1.97 -0.03 0.00 0.26 0.00 0.00 34.13 32.32 3f6h s GLU 412 CO 0.00 -0.72 -0.23 -0.48 -0.54 0.00 0.00 175.26 173.29 3f6h s LEU 413 N 1.89 2.25 -0.29 2.70 0.05 -0.57 0.64 118.68 125.35 3f6h s LEU 413 Ca 0.02 -0.64 -0.07 0.00 0.05 0.00 0.00 54.13 53.49 3f6h s LEU 413 Cb -0.17 -1.02 0.01 0.00 -2.05 0.00 0.00 46.19 42.96 3f6h s LEU 413 CO -0.13 0.13 0.07 -0.70 -0.55 0.00 0.00 176.35 175.18 3f6h s GLU 414 N -1.65 3.12 -0.04 1.48 2.12 0.13 -0.73 118.70 123.12 3f6h s GLU 414 Ca 0.09 -0.83 -0.00 0.00 0.36 0.00 0.00 54.97 54.58 3f6h s GLU 414 Cb -0.10 -3.35 0.03 0.00 0.26 0.00 0.00 34.13 30.97 3f6h s GLU 414 CO 0.04 -0.42 -0.00 -0.47 -0.54 0.00 0.00 175.26 173.86 3f6h s TYR 415 N 1.50 0.46 -1.27 5.30 5.04 -0.15 -1.55 117.35 126.67 3f6h s TYR 415 Ca 0.03 -0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.56 3f6h s TYR 415 Cb -0.17 -0.55 -0.01 0.00 0.35 0.00 0.00 41.96 41.58 3f6h s TYR 415 CO 0.02 -0.19 0.70 1.04 -1.34 0.00 0.00 175.55 175.78 3f6h n GLN 416 N 4.44 -3.94 -0.57 4.97 6.02 -1.26 -1.98 117.38 125.07 3f6h n GLN 416 Ca -0.20 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 3f6h n GLN 416 Cb 0.50 -4.98 0.00 0.00 1.02 0.00 0.00 30.24 26.78 3f6h n GLN 416 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f6h n GLY 417 N -1.61 0.70 3.64 1.08 0.00 -1.26 -4.97 105.19 102.77 3f6h n GLY 417 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3f6h n GLY 417 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f6h s LYS 418 N -0.40 2.71 -0.22 1.61 2.20 -0.83 -5.11 119.74 119.69 3f6h s LYS 418 Ca 0.00 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 54.90 3f6h s LYS 418 Cb 0.00 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 3f6h s LYS 418 CO 0.00 0.62 0.09 0.96 -0.36 0.00 0.00 175.35 176.66 3f6h s ILE 419 N -1.02 4.69 -0.13 5.43 -4.36 -1.26 -0.98 121.20 123.56 3f6h s ILE 419 Ca 0.18 -0.05 -0.01 0.00 -0.26 0.00 0.00 60.65 60.51 3f6h s ILE 419 Cb -0.11 -3.16 -0.02 0.00 1.25 0.00 0.00 42.46 40.41 3f6h s ILE 419 CO 0.08 0.38 -0.11 -1.00 0.24 0.00 0.00 174.94 174.53 3f6h s HIS 420 N 1.09 2.86 -0.08 1.37 3.76 0.09 -4.98 115.29 119.40 3f6h s HIS 420 Ca 0.05 -0.51 0.03 0.00 -0.15 0.00 0.00 55.06 54.48 3f6h s HIS 420 Cb -0.14 -1.85 0.01 0.00 1.11 0.00 0.00 32.58 31.71 3f6h s HIS 420 CO 0.04 -0.13 -0.18 0.15 -0.85 0.00 0.00 174.74 173.77 3f6h s LYS 421 N 0.24 2.32 0.09 1.40 1.02 -1.26 -1.51 119.74 122.03 3f6h s LYS 421 Ca -0.07 -0.62 -0.09 0.00 0.02 0.00 0.00 55.97 55.21 3f6h s LYS 421 Cb -0.15 -1.82 -0.00 0.00 -0.52 0.00 0.00 37.83 35.34 3f6h s LYS 421 CO 0.05 0.09 0.20 -2.00 -0.92 0.00 0.00 175.35 172.76 3f6h s GLU 422 N 0.54 0.85 0.17 1.68 2.56 -0.70 -4.99 118.70 118.81 3f6h s GLU 422 Ca -0.16 -0.96 0.06 0.00 0.00 0.00 0.00 54.97 53.91 3f6h s GLU 422 Cb -0.17 0.35 -0.04 0.00 2.00 0.00 0.00 34.13 36.26 3f6h s GLU 422 CO 0.06 -0.27 -0.13 -1.50 -0.56 0.00 0.00 175.26 172.86 3f6h s ILE 423 N -3.86 1.44 -0.18 -3.70 2.07 -1.26 -0.59 121.20 115.12 3f6h s ILE 423 Ca 0.05 -2.08 -0.31 0.00 -1.41 0.00 0.00 60.65 56.90 3f6h s ILE 423 Cb 0.05 -1.89 0.14 0.00 0.13 0.00 0.00 42.46 40.89 3f6h s ILE 423 CO -0.11 -0.63 1.12 -0.55 -1.91 0.00 0.00 174.94 172.85 3f6h s SER 424 N -3.13 -0.24 0.68 4.50 0.15 -0.80 -4.65 113.70 110.21 3f6h s SER 424 Ca 0.18 0.18 0.02 0.00 0.70 0.00 0.00 55.95 57.03 3f6h s SER 424 Cb 0.00 0.21 0.12 0.00 -1.71 0.00 0.00 66.02 64.64 3f6h s SER 424 CO 0.04 -0.28 0.94 -1.61 1.20 0.00 0.00 173.24 173.53 3f6h s GLU 425 N -1.64 1.84 0.00 5.44 2.02 -1.26 -0.79 118.70 124.31 3f6h s GLU 425 Ca 0.04 -1.25 -0.26 0.00 0.02 0.00 0.00 54.97 53.53 3f6h s GLU 425 Cb -0.01 -2.41 0.09 0.00 0.10 0.00 0.00 34.13 31.89 3f6h s GLU 425 CO -0.03 -1.29 1.17 0.41 0.02 0.00 0.00 175.26 175.54 3f6h n GLY 426 N -2.68 0.29 0.20 -1.39 0.00 -0.72 -4.37 105.19 96.52 3f6h n GLY 426 Ca 0.15 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.21 3f6h n GLY 426 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f6h h ASP 427 N 1.87 0.00 -5.29 1.61 3.32 -1.89 -3.36 116.42 112.68 3f6h h ASP 427 Ca -0.21 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 3f6h h ASP 427 Cb 1.11 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.56 3f6h h ASP 427 CO 0.30 0.22 -0.17 -0.83 -1.72 0.00 0.00 179.24 177.04 3f6h s GLY 428 N -4.30 0.68 0.12 2.75 0.00 -1.26 -4.84 107.32 100.46 3f6h s GLY 428 Ca 0.03 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 3f6h s GLY 428 CO 0.67 -0.72 1.60 -1.33 0.00 0.00 0.00 173.10 173.31 3f6h h GLY 429 N 2.28 -0.71 1.26 0.20 0.00 -1.90 0.22 103.07 104.42 3f6h h GLY 429 Ca -0.27 0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 3f6h h GLY 429 CO 0.37 -0.25 0.20 -1.82 0.00 0.00 0.00 176.54 175.05 3f6h h TYR 430 N -0.56 0.95 -0.37 5.60 3.20 -1.96 -2.30 116.97 121.54 3f6h h TYR 430 Ca 0.05 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3f6h h TYR 430 Cb 0.63 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3f6h h TYR 430 CO -0.38 0.76 0.19 0.22 -1.64 0.00 0.00 178.16 177.30 3f6h h ASP 431 N 0.91 0.47 -0.86 -2.11 3.58 -1.82 -1.39 116.42 115.20 3f6h h ASP 431 Ca 0.21 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.57 3f6h h ASP 431 Cb 0.25 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.13 3f6h h ASP 431 CO -0.01 0.45 0.56 0.00 -2.88 0.00 0.00 179.24 177.36 3f6h h ALA 432 N 1.04 1.12 -0.58 -0.78 0.00 -0.42 -0.48 119.26 119.16 3f6h h ALA 432 Ca 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3f6h h ALA 432 Cb 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3f6h h ALA 432 CO -0.02 0.44 0.35 0.35 0.00 0.00 0.00 179.25 180.37 3f6h h PHE 433 N 1.11 0.66 -0.00 0.00 3.57 -1.10 -1.11 116.94 120.08 3f6h h PHE 433 Ca 0.33 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.74 3f6h h PHE 433 Cb -0.04 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3f6h h PHE 433 CO -0.02 0.38 -0.55 0.52 -2.23 0.00 0.00 178.31 176.41 3f6h h MET 434 N 0.70 0.00 -0.45 1.11 2.86 -0.67 -0.78 114.93 117.69 3f6h h MET 434 Ca 0.24 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.78 3f6h h MET 434 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3f6h h MET 434 CO -0.10 0.55 -0.09 -0.91 1.06 0.00 0.00 176.91 177.42 3f6h h ASN 435 N 0.00 0.86 -0.42 1.22 2.35 -0.69 -1.58 115.58 117.32 3f6h h ASN 435 Ca -0.01 -0.35 -0.05 0.00 -0.55 0.00 0.00 56.30 55.34 3f6h h ASN 435 Cb 0.97 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 3f6h h ASN 435 CO 0.07 1.01 0.07 0.00 -1.65 0.00 0.00 177.43 176.93 3f6h h ALA 436 N 0.88 0.56 -0.42 -0.83 0.00 -0.96 -2.88 119.26 115.60 3f6h h ALA 436 Ca 0.12 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3f6h h ALA 436 Cb 0.62 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3f6h h ALA 436 CO 0.04 0.27 0.11 1.25 0.00 0.00 0.00 179.25 180.92 3f6h h LEU 437 N 0.55 0.07 -1.31 0.00 5.85 -1.10 -2.54 115.31 116.83 3f6h h LEU 437 Ca 0.13 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.06 3f6h h LEU 437 Cb 0.37 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 3f6h h LEU 437 CO 0.01 0.08 0.57 0.74 -0.34 0.00 0.00 178.44 179.49 3f6h h THR 438 N 0.26 0.82 -0.37 1.05 2.02 -1.08 0.33 112.91 115.94 3f6h h THR 438 Ca 0.20 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3f6h h THR 438 Cb 0.23 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3f6h h THR 438 CO -0.24 0.12 0.22 0.11 0.37 0.00 0.00 175.52 176.11 3f6h h LYS 439 N 0.66 0.51 0.04 6.66 1.57 -1.32 0.86 116.57 125.55 3f6h h LYS 439 Ca 0.45 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3f6h h LYS 439 Cb 0.76 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3f6h h LYS 439 CO -0.20 0.39 -0.02 0.82 -0.57 0.00 0.00 179.45 179.87 3f6h h ILE 440 N 0.49 1.21 -0.72 1.86 2.04 -1.26 -2.90 117.51 118.23 3f6h h ILE 440 Ca 0.13 -0.81 0.09 0.00 1.00 0.00 0.00 64.86 65.28 3f6h h ILE 440 Cb 0.01 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.77 3f6h h ILE 440 CO -0.02 0.20 0.38 0.74 0.00 0.00 0.00 178.15 179.44 3f6h h THR 441 N -0.40 0.87 -0.30 -0.27 2.02 -0.15 -2.26 112.91 112.42 3f6h h THR 441 Ca -0.00 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3f6h h THR 441 Cb 0.37 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3f6h h THR 441 CO 0.01 0.12 0.15 0.78 0.37 0.00 0.00 175.52 176.94 3f6h h ASN 442 N 0.64 0.38 -0.14 4.18 2.35 0.72 -1.78 115.58 121.93 3f6h h ASN 442 Ca 0.35 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 56.03 3f6h h ASN 442 Cb 0.34 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3f6h h ASN 442 CO -0.25 0.39 0.11 -0.09 -1.65 0.00 0.00 177.43 175.93 3f6h h ARG 443 N 0.35 0.00 -0.02 0.81 2.43 -1.25 -1.92 114.38 114.78 3f6h h ARG 443 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3f6h h ARG 443 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3f6h h ARG 443 CO -0.01 0.00 -0.10 1.28 -1.51 0.00 0.00 179.97 179.63 3f6h n LEU 444 N -4.44 1.71 -0.50 3.80 4.77 -0.89 -4.93 117.00 116.52 3f6h n LEU 444 Ca 0.00 -0.56 -0.07 0.00 -0.03 0.00 0.00 56.01 55.36 3f6h n LEU 444 Cb 0.23 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3f6h n LEU 444 CO 0.34 0.29 -0.06 0.61 -1.33 0.00 0.00 177.39 177.24 3f6h n GLY 445 N 1.26 0.85 3.72 -0.72 0.00 -0.72 -5.00 105.19 104.58 3f6h n GLY 445 Ca 0.16 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3f6h n GLY 445 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6h s ILE 446 N -2.10 5.27 -0.16 -0.61 1.01 -0.71 -5.03 121.20 118.86 3f6h s ILE 446 Ca 0.00 0.65 -0.08 0.00 0.00 0.00 0.00 60.65 61.22 3f6h s ILE 446 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3f6h s ILE 446 CO 0.00 0.35 0.12 -0.94 0.00 0.00 0.00 174.94 174.47 3f6h s SER 447 N 0.62 6.19 -0.08 3.58 1.04 -1.26 -4.12 113.70 119.67 3f6h s SER 447 Ca 0.19 0.31 -0.25 0.00 0.48 0.00 0.00 55.95 56.68 3f6h s SER 447 Cb -0.14 -2.05 -0.03 0.00 0.10 0.00 0.00 66.02 63.91 3f6h s SER 447 CO 0.06 0.28 0.78 -0.63 0.98 0.00 0.00 173.24 174.71 3f6h s ILE 448 N -0.26 4.98 0.37 -1.02 1.01 -1.26 -5.03 121.20 119.99 3f6h s ILE 448 Ca 0.11 1.60 -0.25 0.00 0.00 0.00 0.00 60.65 62.10 3f6h s ILE 448 Cb -0.12 -4.11 -0.12 0.00 0.01 0.00 0.00 42.46 38.12 3f6h s ILE 448 CO 0.01 0.19 0.83 -2.65 0.00 0.00 0.00 174.94 173.32 3f6h n PRO 449 N 4.12 1.01 -2.10 2.79 -0.02 -1.26 -4.91 135.00 134.63 3f6h n PRO 449 Ca 0.01 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 3f6h n PRO 449 Cb 0.51 -1.75 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 3f6h n PRO 449 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3f6h s LYS 450 N -1.70 4.34 -0.32 -0.52 2.20 -1.07 -4.76 119.74 117.92 3f6h s LYS 450 Ca 0.62 2.23 -0.29 0.00 -0.36 0.00 0.00 55.97 58.18 3f6h s LYS 450 Cb -0.63 -3.07 -0.00 0.00 -1.51 0.00 0.00 37.83 32.62 3f6h s LYS 450 CO 0.58 -0.22 1.39 -1.17 -0.36 0.00 0.00 175.35 175.57 3f6h s LEU 451 N -1.68 3.79 -0.22 5.43 1.98 -1.26 -1.67 118.68 125.06 3f6h s LEU 451 Ca 0.50 1.16 0.05 0.00 -2.89 0.00 0.00 54.13 52.95 3f6h s LEU 451 Cb -0.40 -3.54 -0.20 0.00 0.66 0.00 0.00 46.19 42.71 3f6h s LEU 451 CO 0.52 -1.22 -0.04 -0.38 -1.89 0.00 0.00 176.35 173.35 3f6h n ILE 452 N 6.51 1.51 -3.71 6.68 2.08 0.10 -4.99 119.36 127.54 3f6h n ILE 452 Ca 0.16 -0.66 -0.11 0.00 0.56 0.00 0.00 62.75 62.70 3f6h n ILE 452 Cb 0.47 -1.22 -0.06 0.00 -0.75 0.00 0.00 39.64 38.08 3f6h n ILE 452 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3f6h s ASP 453 N -6.32 -0.15 -0.14 4.38 2.15 -1.10 -4.97 116.67 110.51 3f6h s ASP 453 Ca -0.26 -0.29 -0.06 0.00 0.43 0.00 0.00 52.55 52.37 3f6h s ASP 453 Cb 0.08 0.41 0.06 0.00 -0.30 0.00 0.00 42.92 43.17 3f6h s ASP 453 CO 0.69 -0.74 0.31 -0.47 -0.17 0.00 0.00 175.17 174.79 3f6h s TYR 454 N -3.27 -0.50 -0.01 -5.34 5.04 -1.26 -0.47 117.35 111.55 3f6h s TYR 454 Ca -0.00 1.08 0.00 0.00 -2.44 0.00 0.00 57.07 55.70 3f6h s TYR 454 Cb 0.01 0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.43 3f6h s TYR 454 CO -0.08 -0.34 0.01 -2.00 -1.34 0.00 0.00 175.55 171.80 3f6h s GLU 455 N 1.97 0.01 -0.13 4.97 2.12 -0.08 -5.01 118.70 122.55 3f6h s GLU 455 Ca -0.04 0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.37 3f6h s GLU 455 Cb -0.11 -0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.17 3f6h s GLU 455 CO -0.10 -0.07 -0.15 0.08 -0.54 0.00 0.00 175.26 174.48 3f6h s VAL 456 N 0.46 1.55 0.22 3.70 1.01 -1.26 -0.16 120.40 125.91 3f6h s VAL 456 Ca -0.04 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3f6h s VAL 456 Cb -0.06 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3f6h s VAL 456 CO -0.01 0.45 -0.03 -0.13 0.00 0.00 0.00 175.10 175.38 3f6h s ARG 457 N 1.20 1.32 0.03 2.72 1.81 -0.07 -4.98 118.95 120.98 3f6h s ARG 457 Ca -0.02 -1.65 0.06 0.00 -1.72 0.00 0.00 55.73 52.40 3f6h s ARG 457 Cb -0.14 -0.68 -0.02 0.00 -0.45 0.00 0.00 34.95 33.66 3f6h s ARG 457 CO -0.06 -0.05 -0.16 0.96 -0.68 0.00 0.00 175.30 175.31 3f6h s ILE 458 N -3.35 1.30 0.71 1.52 -4.36 -1.26 -0.63 121.20 115.13 3f6h s ILE 458 Ca 0.27 -1.00 -0.15 0.00 -0.26 0.00 0.00 60.65 59.51 3f6h s ILE 458 Cb 0.05 -1.14 0.03 0.00 1.25 0.00 0.00 42.46 42.64 3f6h s ILE 458 CO 0.08 0.13 1.16 -2.16 0.24 0.00 0.00 174.94 174.38 3f6h s PRO 459 N -1.00 2.38 0.50 0.37 0.04 -1.26 -4.95 135.00 131.08 3f6h s PRO 459 Ca 0.04 1.57 -0.22 0.00 0.04 0.00 0.00 61.00 62.43 3f6h s PRO 459 Cb -0.08 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 3f6h s PRO 459 CO 0.01 -1.61 1.12 -0.35 0.04 0.00 0.00 177.00 176.21 3f6h n PRO 460 N -2.67 1.39 0.00 0.56 -0.04 -1.26 -3.81 135.00 129.17 3f6h n PRO 460 Ca 0.12 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 3f6h n PRO 460 Cb 0.51 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3f6h n PRO 460 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f6h n GLY 461 N 1.06 1.33 7.00 0.55 0.00 -1.26 -5.07 105.19 108.80 3f6h n GLY 461 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3f6h n GLY 461 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f6h n GLY 462 N 0.00 0.73 0.00 -0.02 0.00 -1.25 -5.07 105.19 99.59 3f6h n GLY 462 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3f6h n GLY 462 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f6h n LYS 463 N 8.22 0.00 0.06 1.61 4.76 -1.26 -4.49 118.16 127.07 3f6h n LYS 463 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 3f6h n LYS 463 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 3f6h n LYS 463 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3f6h h THR 464 N 0.00 1.40 -0.44 -0.18 2.02 -2.03 -3.29 112.91 110.39 3f6h h THR 464 Ca 0.00 -3.07 0.00 0.00 0.77 0.00 0.00 66.41 64.11 3f6h h THR 464 Cb 0.00 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 3f6h h THR 464 CO 0.00 0.86 0.00 -0.90 0.37 0.00 0.00 175.52 175.85 3f6h n ASP 465 N -3.40 3.58 -4.76 4.18 5.75 -1.26 -4.99 116.55 115.65 3f6h n ASP 465 Ca -0.09 -2.36 -0.39 0.00 -0.01 0.00 0.00 54.79 51.94 3f6h n ASP 465 Cb 1.01 -0.50 0.01 0.00 -1.03 0.00 0.00 41.12 40.60 3f6h n ASP 465 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f6h s ALA 466 N -1.82 3.17 0.51 2.12 0.00 -1.24 -4.91 121.76 119.58 3f6h s ALA 466 Ca 0.36 1.29 -0.22 0.00 0.00 0.00 0.00 51.96 53.39 3f6h s ALA 466 Cb 0.24 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 3f6h s ALA 466 CO 0.16 -1.00 1.23 -0.51 0.00 0.00 0.00 175.76 175.64 3f6h s LEU 467 N -2.73 3.89 -0.07 0.00 1.43 -1.26 -4.65 118.68 115.29 3f6h s LEU 467 Ca 0.61 2.45 0.04 0.00 -1.03 0.00 0.00 54.13 56.20 3f6h s LEU 467 Cb -0.39 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 41.48 3f6h s LEU 467 CO 0.50 -1.25 -0.19 -0.69 0.23 0.00 0.00 176.35 174.95 3f6h s VAL 468 N -1.49 2.62 -0.37 -1.59 1.01 0.34 -4.30 120.40 116.62 3f6h s VAL 468 Ca 0.69 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 3f6h s VAL 468 Cb -0.32 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.07 3f6h s VAL 468 CO 0.38 0.57 0.18 -1.61 0.00 0.00 0.00 175.10 174.62 3f6h s GLU 469 N -0.23 2.76 -0.33 2.72 2.02 0.20 -2.11 118.70 123.73 3f6h s GLU 469 Ca -0.00 -1.11 -0.09 0.00 0.02 0.00 0.00 54.97 53.79 3f6h s GLU 469 Cb -0.13 -3.67 0.02 0.00 0.10 0.00 0.00 34.13 30.45 3f6h s GLU 469 CO 0.03 -0.70 0.14 0.99 0.02 0.00 0.00 175.26 175.74 3f6h s THR 470 N 1.52 4.24 -0.24 3.63 2.01 -0.52 -0.89 115.64 125.37 3f6h s THR 470 Ca 0.01 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 3f6h s THR 470 Cb -0.19 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 3f6h s THR 470 CO 0.06 -0.08 0.22 -0.13 -0.69 0.00 0.00 174.62 173.99 3f6h s ARG 471 N 1.52 4.07 -0.11 4.92 0.52 0.77 -2.00 118.95 128.64 3f6h s ARG 471 Ca 0.02 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 3f6h s ARG 471 Cb -0.18 -3.56 -0.00 0.00 0.52 0.00 0.00 34.95 31.72 3f6h s ARG 471 CO 0.05 -0.01 -0.21 0.42 0.02 0.00 0.00 175.30 175.57 3f6h s ILE 472 N 1.25 2.29 -0.28 1.52 1.01 -0.69 -0.90 121.20 125.40 3f6h s ILE 472 Ca 0.10 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 3f6h s ILE 472 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3f6h s ILE 472 CO 0.06 0.55 0.25 -0.89 0.00 0.00 0.00 174.94 174.91 3f6h s THR 473 N 0.38 5.27 0.13 2.92 2.01 0.38 -1.88 115.64 124.85 3f6h s THR 473 Ca -0.16 0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.16 3f6h s THR 473 Cb -0.17 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3f6h s THR 473 CO 0.07 0.21 0.03 0.26 -0.69 0.00 0.00 174.62 174.50 3f6h s TRP 474 N 1.85 2.99 -0.26 4.92 0.52 0.24 0.00 118.94 129.20 3f6h s TRP 474 Ca 0.09 -0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.18 3f6h s TRP 474 Cb -0.16 -1.48 0.06 0.00 -1.15 0.00 0.00 33.47 30.74 3f6h s TRP 474 CO 0.11 0.50 -0.10 1.21 0.02 0.00 0.00 176.95 178.69 3f6h s ASN 475 N -2.70 4.46 0.27 2.95 2.47 -0.67 -0.11 114.94 121.62 3f6h s ASN 475 Ca 0.28 -1.38 -0.01 0.00 0.42 0.00 0.00 52.86 52.17 3f6h s ASN 475 Cb -0.11 -1.56 0.37 0.00 -1.45 0.00 0.00 41.25 38.51 3f6h s ASN 475 CO 0.20 -0.19 1.79 0.50 -3.72 0.00 0.00 177.10 175.68 3f6h h LYS 476 N 7.79 0.80 -7.07 0.43 3.64 -1.18 -2.83 116.57 118.15 3f6h h LYS 476 Ca -0.20 -0.19 -0.54 0.00 -1.27 0.00 0.00 60.65 58.45 3f6h h LYS 476 Cb 1.04 -0.11 0.13 0.00 -0.41 0.00 0.00 32.23 32.89 3f6h h LYS 476 CO 0.47 0.77 0.54 0.45 -2.27 0.00 0.00 179.45 179.41 3f6h s SER 477 N -6.62 5.19 -0.04 4.20 0.15 -1.26 -4.80 113.70 110.52 3f6h s SER 477 Ca -0.09 2.60 0.15 0.00 0.70 0.00 0.00 55.95 59.30 3f6h s SER 477 Cb 0.15 -2.62 0.49 0.00 -1.71 0.00 0.00 66.02 62.33 3f6h s SER 477 CO 0.80 -1.61 1.39 0.18 1.20 0.00 0.00 173.24 175.20 3f6h n LEU 478 N -1.30 3.15 -1.36 3.45 4.77 -1.26 -4.76 117.00 119.69 3f6h n LEU 478 Ca 0.12 -1.58 0.04 0.00 -0.03 0.00 0.00 56.01 54.56 3f6h n LEU 478 Cb 0.47 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3f6h n LEU 478 CO 0.49 0.66 -0.39 -0.90 -1.33 0.00 0.00 177.39 175.93 3f6h n ASP 479 N 0.91 -5.99 0.00 -1.43 5.68 -1.26 -5.19 116.55 109.27 3f6h n ASP 479 Ca 0.18 1.27 0.00 0.00 -0.50 0.00 0.00 54.79 55.74 3f6h n ASP 479 Cb 0.55 -4.12 0.00 0.00 -1.14 0.00 0.00 41.12 36.41 3f6h n ASP 479 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3f6h n GLU 482 N -2.92 0.00 -4.02 0.11 1.02 -1.26 -5.22 120.64 108.35 3f6h n GLU 482 Ca -0.02 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.81 3f6h n GLU 482 Cb 0.40 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.65 3f6h n GLU 482 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3f6h s ASP 483 N 0.00 3.20 -0.36 1.62 2.15 -1.26 -4.93 116.67 117.09 3f6h s ASP 483 Ca 0.00 -0.76 0.14 0.00 0.43 0.00 0.00 52.55 52.35 3f6h s ASP 483 Cb 0.00 -1.25 0.39 0.00 -0.30 0.00 0.00 42.92 41.75 3f6h s ASP 483 CO 0.00 -0.11 0.85 0.00 -0.17 0.00 0.00 175.17 175.74 3f6h n GLN 484 N 4.69 1.04 -2.94 4.34 1.13 -1.26 -4.95 117.38 119.44 3f6h n GLN 484 Ca -0.16 -3.21 -0.40 0.00 -1.94 0.00 0.00 57.00 51.30 3f6h n GLN 484 Cb 0.48 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.31 3f6h n GLN 484 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 3f6h s THR 485 N -2.44 4.35 0.19 5.09 -1.32 -1.26 -0.60 115.64 119.65 3f6h s THR 485 Ca 0.34 1.77 -0.19 0.00 -1.21 0.00 0.00 61.69 62.40 3f6h s THR 485 Cb 0.39 -4.17 0.04 0.00 -1.51 0.00 0.00 72.50 67.24 3f6h s THR 485 CO -0.04 0.50 0.54 0.72 -2.21 0.00 0.00 174.62 174.13 3f6h s PHE 486 N -1.04 -0.21 0.02 9.09 -0.12 0.85 -4.97 117.98 121.61 3f6h s PHE 486 Ca 0.37 -0.12 0.07 0.00 -0.05 0.00 0.00 56.93 57.20 3f6h s PHE 486 Cb -0.23 0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 42.57 3f6h s PHE 486 CO 0.27 -0.91 -0.20 0.15 -0.05 0.00 0.00 175.22 174.48 3f6h s LYS 487 N -3.85 1.43 0.21 1.99 1.02 -1.26 0.82 119.74 120.10 3f6h s LYS 487 Ca 0.07 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 55.26 3f6h s LYS 487 Cb -0.01 -1.49 -0.05 0.00 -0.52 0.00 0.00 37.83 35.76 3f6h s LYS 487 CO -0.05 0.39 -0.08 0.95 -0.92 0.00 0.00 175.35 175.64 3f6h s THR 488 N -0.69 1.35 0.06 2.17 -4.23 -0.79 -5.00 115.64 108.50 3f6h s THR 488 Ca 0.07 -2.10 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 3f6h s THR 488 Cb -0.08 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 3f6h s THR 488 CO 0.01 -0.52 -0.08 -0.32 -0.54 0.00 0.00 174.62 173.18 3f6h s MET 489 N -3.75 0.62 0.02 3.99 1.75 -1.26 -1.70 119.30 118.97 3f6h s MET 489 Ca 0.24 -0.93 0.05 0.00 -1.25 0.00 0.00 55.69 53.79 3f6h s MET 489 Cb 0.03 -0.28 -0.02 0.00 2.84 0.00 0.00 34.83 37.40 3f6h s MET 489 CO 0.06 0.03 -0.14 0.20 -0.65 0.00 0.00 175.02 174.53 3f6h s GLY 490 N -2.00 0.74 -0.14 2.11 0.00 -0.85 -4.03 107.32 103.15 3f6h s GLY 490 Ca -0.04 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 43.96 3f6h s GLY 490 CO -0.01 -0.68 -0.15 0.14 0.00 0.00 0.00 173.10 172.40 3f6h s VAL 491 N -0.66 1.56 -0.12 1.40 1.01 -1.25 -1.44 120.40 120.89 3f6h s VAL 491 Ca 0.03 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3f6h s VAL 491 Cb -0.07 -1.45 0.07 0.00 0.00 0.00 0.00 36.38 34.94 3f6h s VAL 491 CO 0.01 0.46 0.71 -2.28 0.00 0.00 0.00 175.10 173.99 3f6h s HIS 492 N 1.35 -0.68 0.42 5.22 5.04 -0.90 -4.89 115.29 120.85 3f6h s HIS 492 Ca 0.02 1.34 0.12 0.00 -1.54 0.00 0.00 55.06 55.00 3f6h s HIS 492 Cb -0.13 0.37 0.97 0.00 0.04 0.00 0.00 32.58 33.83 3f6h s HIS 492 CO -0.08 -0.53 1.97 -1.35 -2.34 0.00 0.00 174.74 172.41 3f6h h PRO 493 N 3.57 0.47 -5.05 2.88 0.11 -1.89 0.99 132.00 133.08 3f6h h PRO 493 Ca -0.27 -0.03 -0.63 0.00 0.11 0.00 0.00 66.00 65.18 3f6h h PRO 493 Cb 1.15 -0.11 -0.15 0.00 0.11 0.00 0.00 31.00 32.00 3f6h h PRO 493 CO 0.29 0.31 -0.48 0.34 -0.21 0.00 0.00 178.00 178.24 3f6h s ASP 494 N -6.22 6.11 0.27 -2.05 2.15 -1.26 -4.72 116.67 110.95 3f6h s ASP 494 Ca -0.08 0.11 0.03 0.00 0.43 0.00 0.00 52.55 53.03 3f6h s ASP 494 Cb 0.20 -2.12 0.36 0.00 -0.30 0.00 0.00 42.92 41.06 3f6h s ASP 494 CO 0.75 0.01 1.67 0.06 -0.17 0.00 0.00 175.17 177.49 3f6h h GLN 495 N 7.80 0.42 -0.50 4.34 3.07 -1.94 -1.02 115.11 127.27 3f6h h GLN 495 Ca -0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 58.65 58.16 3f6h h GLN 495 Cb 1.18 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.70 3f6h h GLN 495 CO 0.63 0.72 0.24 1.15 0.09 0.00 0.00 178.83 181.66 3f6h h THR 496 N 0.35 1.19 -0.16 1.86 2.02 -1.95 -2.01 112.91 114.22 3f6h h THR 496 Ca 0.04 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 3f6h h THR 496 Cb 0.80 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3f6h h THR 496 CO 0.06 0.22 -0.27 0.58 0.37 0.00 0.00 175.52 176.48 3f6h h VAL 497 N 0.66 1.25 -0.56 3.16 2.07 -1.88 -2.41 116.25 118.54 3f6h h VAL 497 Ca 0.17 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 3f6h h VAL 497 Cb 0.12 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3f6h h VAL 497 CO -0.02 0.37 0.19 0.00 0.02 0.00 0.00 177.57 178.12 3f6h h ALA 498 N 1.46 0.73 -0.75 1.67 0.00 -0.79 0.17 119.26 121.74 3f6h h ALA 498 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3f6h h ALA 498 Cb 0.62 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3f6h h ALA 498 CO 0.04 0.37 0.39 0.00 0.00 0.00 0.00 179.25 180.06 3f6h h ALA 499 N 1.05 0.97 0.02 0.00 0.00 -1.23 -0.62 119.26 119.45 3f6h h ALA 499 Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3f6h h ALA 499 Cb 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3f6h h ALA 499 CO -0.01 0.51 -0.01 0.28 0.00 0.00 0.00 179.25 180.02 3f6h h VAL 500 N 1.05 0.98 -0.29 0.00 2.07 -1.05 -1.20 116.25 117.82 3f6h h VAL 500 Ca 0.26 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.83 3f6h h VAL 500 Cb 0.08 1.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 3f6h h VAL 500 CO -0.04 0.01 -0.29 0.45 0.02 0.00 0.00 177.57 177.72 3f6h h HIS 501 N -0.04 -0.78 -0.05 1.57 3.86 -0.44 -0.33 115.15 118.95 3f6h h HIS 501 Ca -0.00 0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3f6h h HIS 501 Cb 0.03 0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 3f6h h HIS 501 CO -0.07 -0.36 0.04 0.00 0.86 0.00 0.00 177.93 178.40 3f6h h ALA 502 N 0.73 1.80 0.05 2.45 0.00 -0.88 -0.69 119.26 122.71 3f6h h ALA 502 Ca 0.15 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 3f6h h ALA 502 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.32 3f6h h ALA 502 CO -0.44 -0.07 -1.13 1.15 0.00 0.00 0.00 179.25 178.77 3f6h h THR 503 N 0.00 1.28 -0.64 0.00 2.02 -0.09 -2.50 112.91 112.99 3f6h h THR 503 Ca 0.02 -2.34 -0.06 0.00 0.77 0.00 0.00 66.41 64.80 3f6h h THR 503 Cb 0.10 2.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 3f6h h THR 503 CO -0.00 0.72 0.15 -0.08 0.37 0.00 0.00 175.52 176.67 3f6h h GLU 504 N 0.35 1.00 -0.42 6.66 4.81 -0.08 0.46 114.58 127.36 3f6h h GLU 504 Ca -0.15 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 3f6h h GLU 504 Cb 1.79 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 31.01 3f6h h GLU 504 CO 0.22 0.90 0.15 0.87 -0.73 0.00 0.00 179.01 180.41 3f6h h LYS 505 N 0.96 0.63 0.00 1.92 1.57 -1.22 -1.51 116.57 118.92 3f6h h LYS 505 Ca 0.20 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3f6h h LYS 505 Cb 0.35 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3f6h h LYS 505 CO 0.00 0.61 -0.12 1.98 -0.57 0.00 0.00 179.45 181.35 3f6h h MET 506 N 0.53 -0.20 -0.67 3.15 4.05 -1.10 -1.82 114.93 118.87 3f6h h MET 506 Ca 0.14 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.64 3f6h h MET 506 Cb 0.23 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 3f6h h MET 506 CO -0.01 -0.13 0.35 -0.07 0.23 0.00 0.00 176.91 177.27 3f6h h LEU 507 N -0.21 0.48 -0.97 3.39 3.38 -0.74 -1.85 115.31 118.80 3f6h h LEU 507 Ca 0.04 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3f6h h LEU 507 Cb 0.26 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3f6h h LEU 507 CO -0.12 0.30 -0.51 0.78 0.09 0.00 0.00 178.44 178.98 3f6h h ASN 508 N 0.62 0.00 -0.20 -0.43 2.35 -1.13 -1.22 115.58 115.57 3f6h h ASN 508 Ca 0.31 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.93 3f6h h ASN 508 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3f6h h ASN 508 CO -0.22 0.51 -0.31 1.56 -1.65 0.00 0.00 177.43 177.32 3f6h h GLN 509 N 0.00 0.71 0.00 0.81 4.20 -0.63 -1.39 115.11 118.81 3f6h h GLN 509 Ca -0.01 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 3f6h h GLN 509 Cb 0.91 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 3f6h h GLN 509 CO 0.07 0.93 -0.67 0.97 -0.67 0.00 0.00 178.83 179.45 3f6h h ILE 510 N 0.60 0.03 -0.32 2.54 2.10 -1.15 -3.28 117.51 118.04 3f6h h ILE 510 Ca 0.07 -1.06 0.00 0.00 1.08 0.00 0.00 64.86 64.95 3f6h h ILE 510 Cb 0.83 1.70 0.00 0.00 -1.09 0.00 0.00 36.82 38.26 3f6h h ILE 510 CO 0.07 0.02 0.00 0.18 -1.08 0.00 0.00 178.15 177.34 3f6h n LEU 511 N -2.84 3.01 -4.70 2.19 4.77 -0.48 -4.98 117.00 113.97 3f6h n LEU 511 Ca 0.01 -1.58 -0.42 0.00 -0.03 0.00 0.00 56.01 53.99 3f6h n LEU 511 Cb 0.56 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3f6h n LEU 511 CO 0.38 0.68 1.23 -1.58 -1.33 0.00 0.00 177.39 176.77 3f6h s GLN 512 N -1.18 4.23 0.47 3.23 2.00 -0.53 -4.97 119.66 122.92 3f6h s GLN 512 Ca 0.29 2.22 -0.24 0.00 -2.00 0.00 0.00 55.36 55.63 3f6h s GLN 512 Cb 0.17 -3.49 -0.08 0.00 0.80 0.00 0.00 33.01 30.41 3f6h s GLN 512 CO 0.23 -0.64 1.38 -2.30 -0.50 0.00 0.00 175.29 173.45 3f6h n PRO 513 N 5.11 2.03 -1.56 1.67 -0.02 -1.26 -4.85 135.00 136.12 3f6h n PRO 513 Ca 0.14 0.73 -0.54 0.00 -2.02 0.00 0.00 63.50 61.81 3f6h n PRO 513 Cb 0.41 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.26 3f6h n PRO 513 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3f6h n TRP 514 N -0.44 1.25 0.17 6.00 -0.00 -1.26 -4.85 117.44 118.31 3f6h n TRP 514 Ca 0.07 0.77 0.08 0.00 -0.00 0.00 0.00 57.50 58.42 3f6h n TRP 514 Cb 0.42 -2.26 0.59 0.00 -0.00 0.00 0.00 31.31 30.06 3f6h n TRP 514 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 177.69 177.13 3f6h h GLN 515 N 4.11 0.14 0.00 5.87 3.07 -2.03 -3.57 115.11 122.70 3f6h h GLN 515 Ca -0.49 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.24 3f6h h GLN 515 Cb 1.36 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.89 3f6h h GLN 515 CO 0.74 0.09 0.00 -0.89 0.09 0.00 0.00 178.83 178.86