#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qb0 n HIS 375 N 0.00 0.32 -4.17 -0.67 8.25 -1.26 -4.93 115.22 112.76 1qb0 n HIS 375 Ca 0.00 -0.16 -0.29 0.00 -0.26 0.00 0.00 57.72 57.01 1qb0 n HIS 375 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1qb0 n HIS 375 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1qb0 s ARG 376 N -1.68 2.23 0.99 -0.41 0.52 -1.26 -5.12 118.95 114.22 1qb0 s ARG 376 Ca 0.28 -2.19 -0.15 0.00 -0.52 0.00 0.00 55.73 53.15 1qb0 s ARG 376 Cb 0.15 -1.91 0.19 0.00 0.52 0.00 0.00 34.95 33.90 1qb0 s ARG 376 CO 0.22 -0.61 1.19 -1.83 0.02 0.00 0.00 175.30 174.29 1qb0 s GLU 377 N -4.20 0.44 0.79 3.54 1.03 -1.26 -4.97 118.70 114.07 1qb0 s GLU 377 Ca 0.23 -0.03 -0.12 0.00 0.03 0.00 0.00 54.97 55.08 1qb0 s GLU 377 Cb -0.02 -1.79 0.06 0.00 -0.80 0.00 0.00 34.13 31.59 1qb0 s GLU 377 CO 0.14 -2.61 1.11 -0.51 -1.33 0.00 0.00 175.26 172.06 1qb0 s LEU 378 N -6.19 2.61 1.06 1.83 1.43 -1.26 -4.38 118.68 113.77 1qb0 s LEU 378 Ca 0.69 1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 54.82 1qb0 s LEU 378 Cb -0.10 -3.80 0.22 0.00 0.03 0.00 0.00 46.19 42.54 1qb0 s LEU 378 CO 0.54 -1.85 1.10 0.27 0.23 0.00 0.00 176.35 176.63 1qb0 s ILE 379 N -3.26 1.90 0.56 -0.59 -4.36 -0.17 -4.77 121.20 110.51 1qb0 s ILE 379 Ca 0.60 0.00 0.30 0.00 -0.26 0.00 0.00 60.65 61.29 1qb0 s ILE 379 Cb -0.13 -2.50 0.43 0.00 1.25 0.00 0.00 42.46 41.51 1qb0 s ILE 379 CO 0.53 0.00 1.88 1.23 0.24 0.00 0.00 174.94 178.82 1qb0 h GLY 380 N -2.09 0.00 -2.54 6.27 0.00 -1.55 0.39 103.07 103.56 1qb0 h GLY 380 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1qb0 h GLY 380 CO 0.52 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.15 1qb0 n ASP 381 N -4.00 3.93 -2.65 0.19 5.75 -1.26 -4.87 116.55 113.64 1qb0 n ASP 381 Ca 0.14 -2.07 -0.16 0.00 -0.01 0.00 0.00 54.79 52.69 1qb0 n ASP 381 Cb 0.84 -0.47 -0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1qb0 n ASP 381 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1qb0 n TYR 382 N 1.40 -1.48 0.05 2.11 4.01 0.14 -4.82 117.16 118.58 1qb0 n TYR 382 Ca 0.23 0.13 -0.17 0.00 -0.16 0.00 0.00 57.90 57.93 1qb0 n TYR 382 Cb 0.63 -3.13 -0.14 0.00 -0.31 0.00 0.00 39.34 36.39 1qb0 n TYR 382 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1qb0 h SER 383 N -0.30 0.39 -5.31 7.72 4.64 -1.93 -3.47 113.55 115.29 1qb0 h SER 383 Ca -0.37 -0.58 0.13 0.00 -0.47 0.00 0.00 61.79 60.50 1qb0 h SER 383 Cb 1.26 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1qb0 h SER 383 CO 0.43 1.49 0.50 -1.59 -0.87 0.00 0.00 176.83 176.79 1qb0 s LYS 384 N -2.61 1.48 0.64 4.77 -2.85 -1.26 -5.03 119.74 114.88 1qb0 s LYS 384 Ca -0.10 -0.93 -0.14 0.00 -1.00 0.00 0.00 55.97 53.80 1qb0 s LYS 384 Cb 0.07 0.43 -0.01 0.00 -2.06 0.00 0.00 37.83 36.25 1qb0 s LYS 384 CO 0.84 -0.69 1.07 0.00 0.10 0.00 0.00 175.35 176.67 1qb0 s ALA 385 N -2.43 2.65 0.37 0.59 0.00 -1.26 -1.00 121.76 120.69 1qb0 s ALA 385 Ca 0.19 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 52.18 1qb0 s ALA 385 Cb -0.03 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1qb0 s ALA 385 CO 0.06 -1.06 1.41 -0.06 0.00 0.00 0.00 175.76 176.11 1qb0 s PHE 386 N -2.64 2.74 0.08 0.00 0.08 -1.26 -4.72 117.98 112.26 1qb0 s PHE 386 Ca 0.62 1.28 -0.06 0.00 0.12 0.00 0.00 56.93 58.89 1qb0 s PHE 386 Cb -0.16 -3.88 -0.25 0.00 -0.57 0.00 0.00 43.02 38.16 1qb0 s PHE 386 CO 0.44 -2.55 1.16 1.25 -0.10 0.00 0.00 175.22 175.42 1qb0 h LEU 387 N 3.02 0.49-10.08 -0.37 5.85 -2.00 -3.47 115.31 108.76 1qb0 h LEU 387 Ca -0.50 -0.50 -0.52 0.00 0.84 0.00 0.00 57.88 57.19 1qb0 h LEU 387 Cb 1.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1qb0 h LEU 387 CO 0.64 1.37 -0.41 -0.76 -0.34 0.00 0.00 178.44 178.94 1qb0 s LEU 388 N -7.32 4.29 0.37 2.25 1.43 -1.26 -5.06 118.68 113.38 1qb0 s LEU 388 Ca -0.05 0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 53.02 1qb0 s LEU 388 Cb 0.07 -3.00 -0.09 0.00 0.03 0.00 0.00 46.19 43.21 1qb0 s LEU 388 CO 0.89 -0.01 1.20 -1.10 0.23 0.00 0.00 176.35 177.55 1qb0 s GLN 389 N -3.42 4.18 0.28 1.70 -0.21 -1.26 -5.04 119.66 115.88 1qb0 s GLN 389 Ca 0.36 1.93 0.09 0.00 0.02 0.00 0.00 55.36 57.76 1qb0 s GLN 389 Cb -0.11 -2.82 -0.05 0.00 1.00 0.00 0.00 33.01 31.03 1qb0 s GLN 389 CO 0.29 -0.24 -0.14 0.95 -2.12 0.00 0.00 175.29 174.03 1qb0 s THR 390 N -1.32 2.08 0.25 -0.19 -4.23 -1.26 -4.71 115.64 106.26 1qb0 s THR 390 Ca 0.54 -2.26 0.08 0.00 -1.18 0.00 0.00 61.69 58.87 1qb0 s THR 390 Cb -0.33 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 1qb0 s THR 390 CO 0.42 -0.38 -0.13 0.68 -0.54 0.00 0.00 174.62 174.67 1qb0 s VAL 391 N -2.74 1.86 0.32 2.29 -7.23 -0.20 -4.99 120.40 109.71 1qb0 s VAL 391 Ca 0.29 -2.22 -0.29 0.00 -1.81 0.00 0.00 61.98 57.95 1qb0 s VAL 391 Cb -0.01 -2.23 -0.10 0.00 0.56 0.00 0.00 36.38 34.60 1qb0 s VAL 391 CO 0.13 -0.46 1.37 -0.62 -0.31 0.00 0.00 175.10 175.21 1qb0 s ASP 392 N -3.40 6.67 0.24 4.85 2.15 -1.26 -4.04 116.67 121.87 1qb0 s ASP 392 Ca 0.26 2.74 0.01 0.00 0.43 0.00 0.00 52.55 55.99 1qb0 s ASP 392 Cb -0.00 -2.65 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 1qb0 s ASP 392 CO 0.10 -0.63 0.13 -0.83 -0.17 0.00 0.00 175.17 173.77 1qb0 s GLY 393 N -0.20 1.65 0.23 2.66 0.00 -1.26 -4.99 107.32 105.41 1qb0 s GLY 393 Ca 0.52 -1.77 -0.06 0.00 0.00 0.00 0.00 44.72 43.40 1qb0 s GLY 393 CO 0.52 -1.48 1.84 0.07 0.00 0.00 0.00 173.10 174.06 1qb0 h LYS 394 N 2.48 0.89 -5.32 2.90 2.10 -1.95 -3.34 116.57 114.32 1qb0 h LYS 394 Ca -0.36 -0.05 -0.64 0.00 -2.00 0.00 0.00 60.65 57.60 1qb0 h LYS 394 Cb 1.25 -0.20 -0.15 0.00 -0.90 0.00 0.00 32.23 32.22 1qb0 h LYS 394 CO 0.54 0.59 0.43 -1.01 -2.00 0.00 0.00 179.45 178.00 1qb0 s HIS 395 N -6.07 2.77 0.53 0.07 3.76 -1.26 -4.90 115.29 110.19 1qb0 s HIS 395 Ca -0.13 -0.56 0.37 0.00 -0.15 0.00 0.00 55.06 54.59 1qb0 s HIS 395 Cb 0.18 -4.16 1.97 0.00 1.11 0.00 0.00 32.58 31.68 1qb0 s HIS 395 CO 0.78 -1.50 2.24 1.96 -0.85 0.00 0.00 174.74 177.37 1qb0 h GLN 396 N 9.43 0.00 -0.06 1.40 4.20 -2.03 -1.63 115.11 126.42 1qb0 h GLN 396 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1qb0 h GLN 396 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1qb0 h GLN 396 CO 1.14 0.02 0.00 -0.40 -0.67 0.00 0.00 178.83 178.92 1qb0 n ASP 397 N -3.37 1.62 -4.79 1.46 5.75 -1.26 -4.93 116.55 111.02 1qb0 n ASP 397 Ca -0.02 -1.58 -0.22 0.00 -0.01 0.00 0.00 54.79 52.96 1qb0 n ASP 397 Cb 0.13 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.15 1qb0 n ASP 397 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1qb0 s LEU 398 N -1.88 3.54 -0.23 -2.12 1.43 -0.61 -5.11 118.68 113.70 1qb0 s LEU 398 Ca 0.36 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1qb0 s LEU 398 Cb 0.20 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1qb0 s LEU 398 CO 0.32 -0.20 0.04 -0.54 0.23 0.00 0.00 176.35 176.19 1qb0 s LYS 399 N -3.88 3.63 0.05 1.70 -0.14 -1.26 -4.88 119.74 114.96 1qb0 s LYS 399 Ca 0.37 -0.50 0.04 0.00 -1.36 0.00 0.00 55.97 54.52 1qb0 s LYS 399 Cb -0.06 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.84 1qb0 s LYS 399 CO 0.24 -0.11 -0.05 0.71 -0.76 0.00 0.00 175.35 175.39 1qb0 s TYR 400 N 1.35 2.91 0.26 3.18 1.51 -1.26 -0.61 117.35 124.70 1qb0 s TYR 400 Ca 0.05 -0.04 0.11 0.00 -1.01 0.00 0.00 57.07 56.18 1qb0 s TYR 400 Cb -0.15 -1.56 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1qb0 s TYR 400 CO 0.02 0.43 -0.16 0.96 -1.11 0.00 0.00 175.55 175.68 1qb0 s ILE 401 N -1.14 2.68 0.57 2.71 -4.36 0.04 -1.03 121.20 120.67 1qb0 s ILE 401 Ca 0.21 -2.23 -0.03 0.00 -0.26 0.00 0.00 60.65 58.34 1qb0 s ILE 401 Cb -0.11 -2.39 0.02 0.00 1.25 0.00 0.00 42.46 41.23 1qb0 s ILE 401 CO 0.12 -0.35 0.84 -0.94 0.24 0.00 0.00 174.94 174.85 1qb0 s SER 402 N -3.40 5.43 0.35 4.36 1.04 -1.26 -0.82 113.70 119.40 1qb0 s SER 402 Ca 0.29 0.39 0.07 0.00 0.48 0.00 0.00 55.95 57.18 1qb0 s SER 402 Cb -0.06 -1.35 0.76 0.00 0.10 0.00 0.00 66.02 65.47 1qb0 s SER 402 CO 0.15 -1.10 1.90 -0.65 0.98 0.00 0.00 173.24 174.53 1qb0 h PRO 403 N -0.06 0.72 -0.38 4.02 0.11 -1.93 -1.56 132.00 132.92 1qb0 h PRO 403 Ca -0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1qb0 h PRO 403 Cb 1.28 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1qb0 h PRO 403 CO 0.58 0.48 -0.11 1.49 -0.21 0.00 0.00 178.00 180.22 1qb0 h GLU 404 N 0.75 0.67 -0.13 1.05 4.81 -1.99 -1.04 114.58 118.69 1qb0 h GLU 404 Ca 0.39 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 1qb0 h GLU 404 Cb 0.51 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1qb0 h GLU 404 CO -0.16 0.77 -0.48 1.15 -0.73 0.00 0.00 179.01 179.55 1qb0 h THR 405 N 0.61 1.33 -0.65 0.32 2.02 -1.73 -1.08 112.91 113.74 1qb0 h THR 405 Ca 0.11 -1.70 -0.09 0.00 0.77 0.00 0.00 66.41 65.50 1qb0 h THR 405 Cb 0.55 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1qb0 h THR 405 CO 0.03 0.52 0.07 -0.03 0.37 0.00 0.00 175.52 176.48 1qb0 h MET 406 N 0.28 1.09 -0.16 6.66 1.85 -0.79 -2.07 114.93 121.79 1qb0 h MET 406 Ca 0.01 -0.31 -0.08 0.00 -0.61 0.00 0.00 59.70 58.71 1qb0 h MET 406 Cb 0.96 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.86 1qb0 h MET 406 CO 0.08 1.03 -0.24 0.28 -0.40 0.00 0.00 176.91 177.66 1qb0 h VAL 407 N 1.01 1.24 -0.54 -5.77 2.07 -0.86 -1.29 116.25 112.11 1qb0 h VAL 407 Ca 0.19 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 1qb0 h VAL 407 Cb 0.49 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1qb0 h VAL 407 CO 0.02 0.34 0.10 0.00 0.02 0.00 0.00 177.57 178.06 1qb0 h ALA 408 N 1.49 1.16 -0.22 1.67 0.00 -0.55 0.26 119.26 123.06 1qb0 h ALA 408 Ca 0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1qb0 h ALA 408 Cb 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1qb0 h ALA 408 CO 0.04 0.56 -0.04 -0.07 0.00 0.00 0.00 179.25 179.74 1qb0 h LEU 409 N 0.81 0.43 -1.87 0.00 3.38 -1.00 -0.99 115.31 116.07 1qb0 h LEU 409 Ca 0.17 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1qb0 h LEU 409 Cb 0.34 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1qb0 h LEU 409 CO 0.00 0.68 -0.10 -0.07 0.09 0.00 0.00 178.44 179.05 1qb0 h LEU 410 N 0.17 0.00 -1.38 1.67 3.38 -0.40 -2.29 115.31 116.44 1qb0 h LEU 410 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qb0 h LEU 410 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1qb0 h LEU 410 CO 0.02 0.10 0.00 0.35 0.09 0.00 0.00 178.44 179.00 1qb0 n THR 411 N -3.44 0.14 -1.05 0.22 -2.24 0.83 -4.95 114.28 103.78 1qb0 n THR 411 Ca -0.01 -0.40 -0.02 0.00 -2.27 0.00 0.00 64.05 61.35 1qb0 n THR 411 Cb 0.25 0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1qb0 n THR 411 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qb0 n GLY 412 N 1.24 0.52 0.30 3.38 0.00 -0.86 -4.91 105.19 104.85 1qb0 n GLY 412 Ca 0.17 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.32 1qb0 n GLY 412 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qb0 h LYS 413 N 0.01 0.00 -0.27 1.61 3.64 -1.41 -1.74 116.57 118.41 1qb0 h LYS 413 Ca -0.04 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1qb0 h LYS 413 Cb 0.12 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 1qb0 h LYS 413 CO 0.05 0.00 -0.15 1.19 -2.27 0.00 0.00 179.45 178.27 1qb0 n PHE 414 N -4.44 0.83 0.30 1.91 3.72 -1.26 -4.76 117.46 113.76 1qb0 n PHE 414 Ca 0.01 -1.51 0.17 0.00 -0.05 0.00 0.00 57.45 56.06 1qb0 n PHE 414 Cb 0.25 -0.42 0.96 0.00 -0.94 0.00 0.00 39.48 39.32 1qb0 n PHE 414 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1qb0 h SER 415 N 1.02 0.00 0.83 4.37 4.64 -1.56 0.32 113.55 123.17 1qb0 h SER 415 Ca 0.16 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1qb0 h SER 415 Cb 1.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.58 1qb0 h SER 415 CO 0.29 0.02 -0.21 -1.13 -0.87 0.00 0.00 176.83 174.93 1qb0 h ASN 416 N 0.00 0.00 0.00 4.97 -1.24 -1.86 -3.35 115.58 114.10 1qb0 h ASN 416 Ca -0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 1qb0 h ASN 416 Cb 0.07 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.09 1qb0 h ASN 416 CO 0.00 0.21 -1.72 -0.38 -1.29 0.00 0.00 177.43 174.26 1qb0 n ILE 417 N -3.43 0.72 -3.12 2.57 5.41 -0.41 -4.91 119.36 116.19 1qb0 n ILE 417 Ca -0.00 -0.29 -0.43 0.00 1.00 0.00 0.00 62.75 63.03 1qb0 n ILE 417 Cb 0.40 -0.93 -0.07 0.00 -0.71 0.00 0.00 39.64 38.33 1qb0 n ILE 417 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1qb0 s VAL 418 N -2.25 4.85 -0.03 1.39 1.01 0.99 -0.65 120.40 125.71 1qb0 s VAL 418 Ca -0.16 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 1qb0 s VAL 418 Cb 0.04 -4.16 -0.32 0.00 0.00 0.00 0.00 36.38 31.94 1qb0 s VAL 418 CO 0.30 -0.51 0.90 -0.78 0.00 0.00 0.00 175.10 175.01 1qb0 h ASP 419 N 8.76 0.56 -4.66 3.32 3.58 -1.29 -3.42 116.42 123.28 1qb0 h ASP 419 Ca -0.26 -0.94 -0.18 0.00 0.42 0.00 0.00 57.03 56.07 1qb0 h ASP 419 Cb 1.10 -0.18 -0.23 0.00 1.72 0.00 0.00 39.33 41.74 1qb0 h ASP 419 CO 0.87 1.49 -0.65 -0.54 -2.88 0.00 0.00 179.24 177.53 1qb0 s LYS 420 N -2.47 0.28 -0.04 0.28 1.02 -1.10 -5.00 119.74 112.71 1qb0 s LYS 420 Ca -0.13 -0.39 -0.04 0.00 0.02 0.00 0.00 55.97 55.43 1qb0 s LYS 420 Cb 0.02 0.11 0.01 0.00 -0.52 0.00 0.00 37.83 37.45 1qb0 s LYS 420 CO 0.86 -0.05 0.11 -0.59 -0.92 0.00 0.00 175.35 174.76 1qb0 s PHE 421 N -1.06 -0.12 -0.13 3.18 -0.71 -1.26 -1.59 117.98 116.29 1qb0 s PHE 421 Ca -0.12 0.31 0.01 0.00 -1.04 0.00 0.00 56.93 56.09 1qb0 s PHE 421 Cb -0.07 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.76 1qb0 s PHE 421 CO -0.00 -0.07 -0.15 0.08 -1.34 0.00 0.00 175.22 173.74 1qb0 s VAL 422 N 0.12 2.82 -0.32 -2.49 1.01 -0.72 -4.97 120.40 115.85 1qb0 s VAL 422 Ca -0.01 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 1qb0 s VAL 422 Cb -0.01 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1qb0 s VAL 422 CO -0.00 0.53 0.28 -0.63 0.00 0.00 0.00 175.10 175.27 1qb0 s ILE 423 N 0.46 5.25 -0.47 2.22 1.01 -1.26 -1.40 121.20 127.01 1qb0 s ILE 423 Ca -0.11 0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 1qb0 s ILE 423 Cb -0.16 -3.69 0.07 0.00 0.01 0.00 0.00 42.46 38.69 1qb0 s ILE 423 CO 0.05 0.05 0.39 -0.69 0.00 0.00 0.00 174.94 174.75 1qb0 s VAL 424 N 1.85 5.18 -0.42 2.92 1.01 0.98 -1.55 120.40 130.37 1qb0 s VAL 424 Ca 0.09 -1.09 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 1qb0 s VAL 424 Cb -0.17 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1qb0 s VAL 424 CO 0.11 -0.58 0.81 -0.62 0.00 0.00 0.00 175.10 174.82 1qb0 s ASP 425 N 2.60 6.48 -0.06 3.32 -1.08 -0.14 -2.04 116.67 125.75 1qb0 s ASP 425 Ca 0.04 0.10 0.14 0.00 -0.52 0.00 0.00 52.55 52.30 1qb0 s ASP 425 Cb -0.24 -2.40 0.50 0.00 -1.46 0.00 0.00 42.92 39.31 1qb0 s ASP 425 CO 0.06 -0.88 1.38 0.00 0.52 0.00 0.00 175.17 176.26 1qb0 s ARG 427 N -1.62 1.78 0.60 0.00 0.52 -1.26 -4.42 118.95 114.54 1qb0 s ARG 427 Ca 0.36 0.11 -0.16 0.00 -0.52 0.00 0.00 55.73 55.52 1qb0 s ARG 427 Cb 0.22 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 1qb0 s ARG 427 CO 0.19 -1.72 1.06 0.71 0.02 0.00 0.00 175.30 175.56 1qb0 s TYR 428 N -3.55 2.99 0.30 -0.53 2.02 -1.26 -4.28 117.35 113.03 1qb0 s TYR 428 Ca 0.63 1.51 0.05 0.00 -0.37 0.00 0.00 57.07 58.89 1qb0 s TYR 428 Cb -0.11 -3.01 0.74 0.00 -0.40 0.00 0.00 41.96 39.18 1qb0 s TYR 428 CO 0.50 -1.12 1.74 -1.35 -1.57 0.00 0.00 175.55 173.75 1qb0 h PRO 429 N 0.42 0.57 0.00 -1.71 0.11 -1.97 -0.43 132.00 128.99 1qb0 h PRO 429 Ca -0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1qb0 h PRO 429 Cb 1.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1qb0 h PRO 429 CO 0.57 0.38 -0.28 0.10 -0.21 0.00 0.00 178.00 178.56 1qb0 h TYR 430 N 0.59 0.00 -0.17 0.65 -0.00 -1.95 -0.17 116.97 115.92 1qb0 h TYR 430 Ca 0.57 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 59.25 1qb0 h TYR 430 Cb 0.99 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.71 1qb0 h TYR 430 CO -0.06 0.28 -0.08 0.93 -0.00 0.00 0.00 178.16 179.23 1qb0 h GLU 431 N 0.00 0.35 -0.77 0.10 5.08 -1.35 -2.20 114.58 115.78 1qb0 h GLU 431 Ca -0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1qb0 h GLU 431 Cb 0.49 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1qb0 h GLU 431 CO 0.04 0.66 0.51 -0.92 -1.00 0.00 0.00 179.01 178.29 1qb0 h TYR 432 N 0.03 0.97 0.00 4.33 3.20 -1.07 -2.21 116.97 122.22 1qb0 h TYR 432 Ca 0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1qb0 h TYR 432 Cb 0.55 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1qb0 h TYR 432 CO 0.06 0.61 -0.14 0.93 -1.64 0.00 0.00 178.16 177.99 1qb0 h GLU 433 N 1.05 0.00 0.00 1.82 5.08 -0.96 -2.06 114.58 119.50 1qb0 h GLU 433 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1qb0 h GLU 433 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1qb0 h GLU 433 CO -0.06 0.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 1qb0 n GLY 434 N -0.13 -1.07 0.00 -3.84 0.00 -0.84 -4.66 105.19 94.66 1qb0 n GLY 434 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1qb0 n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qb0 n GLY 435 N 0.93 3.40 3.21 -0.02 0.00 -0.78 -3.49 105.19 108.44 1qb0 n GLY 435 Ca 0.16 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1qb0 n GLY 435 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qb0 s HIS 436 N 0.00 1.21 0.20 1.61 -3.43 -0.83 -4.61 115.29 109.44 1qb0 s HIS 436 Ca 0.00 -1.40 -0.30 0.00 -0.80 0.00 0.00 55.06 52.56 1qb0 s HIS 436 Cb 0.00 -0.58 -0.08 0.00 -1.43 0.00 0.00 32.58 30.49 1qb0 s HIS 436 CO 0.00 -0.65 0.95 0.42 -2.00 0.00 0.00 174.74 173.46 1qb0 s ILE 437 N -4.10 4.21 0.25 -5.38 1.01 -1.26 -0.19 121.20 115.74 1qb0 s ILE 437 Ca 0.39 2.08 -0.31 0.00 0.00 0.00 0.00 60.65 62.81 1qb0 s ILE 437 Cb 0.07 -4.32 -0.13 0.00 0.01 0.00 0.00 42.46 38.08 1qb0 s ILE 437 CO 0.13 0.44 1.35 0.29 0.00 0.00 0.00 174.94 177.15 1qb0 n LYS 438 N 1.92 1.93 0.00 2.79 5.02 -0.18 -1.51 118.16 128.13 1qb0 n LYS 438 Ca -0.01 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1qb0 n LYS 438 Cb 0.48 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 1qb0 n LYS 438 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1qb0 n THR 439 N 1.57 0.00 -2.04 -0.18 -2.24 -1.26 -5.03 114.28 105.10 1qb0 n THR 439 Ca 0.11 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.54 1qb0 n THR 439 Cb 0.31 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.57 1qb0 n THR 439 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qb0 s ALA 440 N -2.83 2.58 -0.11 6.98 0.00 -0.57 -4.68 121.76 123.13 1qb0 s ALA 440 Ca 0.00 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 1qb0 s ALA 440 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1qb0 s ALA 440 CO 0.00 -1.03 -0.02 0.54 0.00 0.00 0.00 175.76 175.26 1qb0 s VAL 441 N -1.90 4.13 -0.39 0.00 0.11 -0.60 -4.96 120.40 116.79 1qb0 s VAL 441 Ca 0.72 -0.30 -0.18 0.00 -2.93 0.00 0.00 61.98 59.29 1qb0 s VAL 441 Cb -0.24 -2.76 0.01 0.00 -1.53 0.00 0.00 36.38 31.86 1qb0 s VAL 441 CO 0.33 0.56 0.51 0.21 -3.33 0.00 0.00 175.10 173.38 1qb0 s ASN 442 N -0.43 6.27 -0.46 3.54 3.04 -1.26 -0.96 114.94 124.69 1qb0 s ASN 442 Ca 0.07 -0.29 0.07 0.00 0.04 0.00 0.00 52.86 52.75 1qb0 s ASN 442 Cb -0.12 -2.26 0.24 0.00 -1.54 0.00 0.00 41.25 37.57 1qb0 s ASN 442 CO 0.02 -0.56 0.56 0.18 -3.04 0.00 0.00 177.10 174.25 1qb0 n LEU 443 N 5.79 1.04 0.18 3.21 4.77 -0.50 -4.96 117.00 126.54 1qb0 n LEU 443 Ca -0.05 -4.85 0.06 0.00 -0.03 0.00 0.00 56.01 51.13 1qb0 n LEU 443 Cb 0.48 0.28 0.31 0.00 -2.33 0.00 0.00 43.42 42.16 1qb0 n LEU 443 CO 0.47 2.04 0.66 1.55 -1.33 0.00 0.00 177.39 180.78 1qb0 h PRO 444 N 4.23 0.00 -5.83 3.23 0.13 -1.75 -3.42 132.00 128.60 1qb0 h PRO 444 Ca 0.12 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.63 1qb0 h PRO 444 Cb 0.83 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.89 1qb0 h PRO 444 CO 0.55 0.38 -0.30 -0.51 -0.23 0.00 0.00 178.00 177.89 1qb0 s LEU 445 N -6.96 4.42 0.21 1.56 1.43 -1.26 -4.96 118.68 113.10 1qb0 s LEU 445 Ca 0.01 0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 53.76 1qb0 s LEU 445 Cb 0.10 -2.41 0.27 0.00 0.03 0.00 0.00 46.19 44.19 1qb0 s LEU 445 CO 0.69 0.31 1.71 -0.33 0.23 0.00 0.00 176.35 178.96 1qb0 h GLU 446 N 5.10 0.25 -0.51 1.70 5.08 -1.98 -0.67 114.58 123.54 1qb0 h GLU 446 Ca -0.51 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 57.86 1qb0 h GLU 446 Cb 1.21 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1qb0 h GLU 446 CO 0.63 0.16 0.34 0.07 -1.00 0.00 0.00 179.01 179.21 1qb0 h ARG 447 N 0.25 0.59 0.15 2.33 0.11 -1.97 0.34 114.38 116.19 1qb0 h ARG 447 Ca 0.30 -0.04 -0.30 0.00 0.10 0.00 0.00 59.98 60.05 1qb0 h ARG 447 Cb 0.44 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.40 1qb0 h ARG 447 CO -0.39 0.39 -1.39 -0.44 0.10 0.00 0.00 179.97 178.24 1qb0 h ASP 448 N 0.60 0.51 -0.52 0.08 3.32 -1.65 -1.73 116.42 117.04 1qb0 h ASP 448 Ca 0.20 -0.59 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 1qb0 h ASP 448 Cb 0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1qb0 h ASP 448 CO -0.05 1.47 0.14 0.00 -1.72 0.00 0.00 179.24 179.08 1qb0 h ALA 449 N 0.45 0.69 -0.08 3.45 0.00 -0.60 -0.82 119.26 122.35 1qb0 h ALA 449 Ca -0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1qb0 h ALA 449 Cb 2.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1qb0 h ALA 449 CO 0.21 0.37 0.05 1.49 0.00 0.00 0.00 179.25 181.36 1qb0 h GLU 450 N 0.73 0.11 -0.26 0.00 4.81 -0.37 -0.88 114.58 118.72 1qb0 h GLU 450 Ca 0.17 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1qb0 h GLU 450 Cb 0.31 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1qb0 h GLU 450 CO -0.00 0.11 0.15 1.03 -0.73 0.00 0.00 179.01 179.57 1qb0 h SER 451 N 0.07 0.31 -0.55 1.04 0.87 -1.20 0.24 113.55 114.33 1qb0 h SER 451 Ca 0.03 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1qb0 h SER 451 Cb 0.03 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1qb0 h SER 451 CO -0.01 0.27 0.26 0.15 -0.53 0.00 0.00 176.83 176.98 1qb0 h PHE 452 N 0.32 0.80 0.08 2.24 3.04 -1.05 -2.44 116.94 119.94 1qb0 h PHE 452 Ca 0.09 -0.04 -0.30 0.00 3.98 0.00 0.00 57.97 61.70 1qb0 h PHE 452 Cb 0.02 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 1qb0 h PHE 452 CO -0.04 0.62 -1.57 -0.07 -2.02 0.00 0.00 178.31 175.23 1qb0 h LEU 453 N 0.75 0.27 0.00 0.59 3.38 -1.07 -3.43 115.31 115.79 1qb0 h LEU 453 Ca 0.19 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1qb0 h LEU 453 Cb 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1qb0 h LEU 453 CO -0.02 1.36 -0.66 0.18 0.09 0.00 0.00 178.44 179.39 1qb0 n LEU 454 N -3.36 0.23 -0.09 1.67 4.77 0.82 -4.10 117.00 116.94 1qb0 n LEU 454 Ca -0.17 -0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 55.36 1qb0 n LEU 454 Cb 1.04 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.08 1qb0 n LEU 454 CO 0.48 0.06 0.71 0.50 -1.33 0.00 0.00 177.39 177.81 1qb0 h LYS 455 N 0.00 0.52 -2.91 3.23 3.64 -1.43 -3.36 116.57 116.25 1qb0 h LYS 455 Ca 0.00 -0.20 -0.59 0.00 -1.27 0.00 0.00 60.65 58.60 1qb0 h LYS 455 Cb 0.22 -0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 31.61 1qb0 h LYS 455 CO 0.00 0.73 -0.79 0.45 -2.27 0.00 0.00 179.45 177.57 1qb0 s SER 456 N -6.12 3.45 0.41 4.20 0.15 -1.26 -5.11 113.70 109.42 1qb0 s SER 456 Ca -0.13 -2.16 -0.24 0.00 0.70 0.00 0.00 55.95 54.12 1qb0 s SER 456 Cb 0.08 -0.70 -0.11 0.00 -1.71 0.00 0.00 66.02 63.57 1qb0 s SER 456 CO 0.77 -0.33 0.83 -2.65 1.20 0.00 0.00 173.24 173.07 1qb0 n PRO 457 N 4.13 1.02 -2.92 5.44 -0.02 -1.26 -4.91 135.00 136.48 1qb0 n PRO 457 Ca 0.07 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 1qb0 n PRO 457 Cb 0.37 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1qb0 n PRO 457 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1qb0 s ILE 458 N -1.33 4.75 0.16 4.25 1.01 -1.26 -5.03 121.20 123.75 1qb0 s ILE 458 Ca 0.63 1.14 0.08 0.00 0.00 0.00 0.00 60.65 62.51 1qb0 s ILE 458 Cb -0.59 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 37.65 1qb0 s ILE 458 CO 0.57 -0.33 -0.19 0.00 0.00 0.00 0.00 174.94 175.00 1qb0 s ALA 459 N 3.06 1.99 0.56 9.38 0.00 -1.26 -4.96 121.76 130.53 1qb0 s ALA 459 Ca 0.33 -1.46 -0.18 0.00 0.00 0.00 0.00 51.96 50.64 1qb0 s ALA 459 Cb -0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1qb0 s ALA 459 CO 0.14 0.25 1.12 -1.25 0.00 0.00 0.00 175.76 176.02 1qb0 s PRO 460 N -2.70 3.27 0.00 0.00 0.04 -1.26 -4.91 135.00 129.43 1qb0 s PRO 460 Ca 0.15 1.54 0.22 0.00 0.04 0.00 0.00 61.00 62.95 1qb0 s PRO 460 Cb -0.06 -2.00 1.07 0.00 0.04 0.00 0.00 34.50 33.55 1qb0 s PRO 460 CO 0.06 -0.91 1.72 0.00 0.04 0.00 0.00 177.00 177.91 1qb0 s SER 462 N -1.66 -0.01 0.00 0.00 0.15 -1.26 -5.03 113.70 105.89 1qb0 s SER 462 Ca 0.33 0.11 0.15 0.00 0.70 0.00 0.00 55.95 57.23 1qb0 s SER 462 Cb 0.16 0.03 0.63 0.00 -1.71 0.00 0.00 66.02 65.13 1qb0 s SER 462 CO 0.26 -0.09 1.47 0.18 1.20 0.00 0.00 173.24 176.25 1qb0 n LEU 463 N 3.79 0.00 0.10 3.45 4.77 -1.26 -1.63 117.00 126.22 1qb0 n LEU 463 Ca -0.22 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.38 1qb0 n LEU 463 Cb 0.54 -0.50 0.31 0.00 -2.33 0.00 0.00 43.42 41.45 1qb0 n LEU 463 CO 0.22 -0.25 0.71 0.44 -1.33 0.00 0.00 177.39 177.19 1qb0 h ASP 464 N 0.00 0.00 -1.89 -1.43 3.32 -1.97 -3.47 116.42 110.99 1qb0 h ASP 464 Ca 0.00 -0.06 -0.48 0.00 0.02 0.00 0.00 57.03 56.51 1qb0 h ASP 464 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1qb0 h ASP 464 CO 0.00 0.03 -0.42 -0.54 -1.72 0.00 0.00 179.24 176.59 1qb0 s LYS 465 N -3.13 2.93 0.25 3.56 1.02 -0.65 -4.97 119.74 118.76 1qb0 s LYS 465 Ca 0.09 -1.14 0.09 0.00 0.02 0.00 0.00 55.97 55.03 1qb0 s LYS 465 Cb 0.12 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1qb0 s LYS 465 CO 0.64 0.14 0.00 1.03 -0.92 0.00 0.00 175.35 176.24 1qb0 s ARG 466 N -4.04 2.33 -0.08 1.68 0.52 0.17 -4.82 118.95 114.71 1qb0 s ARG 466 Ca 0.41 -1.37 0.04 0.00 -0.52 0.00 0.00 55.73 54.29 1qb0 s ARG 466 Cb -0.07 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 1qb0 s ARG 466 CO 0.28 0.38 -0.19 0.54 0.02 0.00 0.00 175.30 176.33 1qb0 s VAL 467 N -2.24 2.59 -0.01 3.52 0.11 -1.26 -0.88 120.40 122.23 1qb0 s VAL 467 Ca 0.31 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1qb0 s VAL 467 Cb -0.07 -2.01 -0.01 0.00 -1.53 0.00 0.00 36.38 32.76 1qb0 s VAL 467 CO 0.20 0.56 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.76 1qb0 s ILE 468 N -0.12 1.09 -0.09 7.04 1.01 -0.62 -4.60 121.20 124.91 1qb0 s ILE 468 Ca -0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 1qb0 s ILE 468 Cb -0.14 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1qb0 s ILE 468 CO 0.04 0.28 0.00 -0.76 0.00 0.00 0.00 174.94 174.50 1qb0 s LEU 469 N -0.40 3.58 -0.16 2.97 1.43 -0.90 -1.76 118.68 123.44 1qb0 s LEU 469 Ca 0.05 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1qb0 s LEU 469 Cb -0.06 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.36 1qb0 s LEU 469 CO -0.00 0.36 -0.19 -0.63 0.23 0.00 0.00 176.35 176.12 1qb0 s ILE 470 N -0.79 1.95 0.10 -0.59 1.09 -0.49 -0.66 121.20 121.81 1qb0 s ILE 470 Ca 0.12 -0.89 0.05 0.00 -1.10 0.00 0.00 60.65 58.83 1qb0 s ILE 470 Cb -0.11 -1.77 -0.04 0.00 -1.06 0.00 0.00 42.46 39.48 1qb0 s ILE 470 CO 0.02 0.52 0.02 -0.36 -0.10 0.00 0.00 174.94 175.05 1qb0 s PHE 471 N 1.19 3.03 0.17 3.97 0.40 0.54 -0.02 117.98 127.27 1qb0 s PHE 471 Ca 0.02 -0.01 -0.22 0.00 -0.60 0.00 0.00 56.93 56.11 1qb0 s PHE 471 Cb -0.14 -1.54 0.06 0.00 0.51 0.00 0.00 43.02 41.91 1qb0 s PHE 471 CO -0.09 0.49 0.61 -3.38 0.70 0.00 0.00 175.22 173.55 1qb0 s HIS 472 N -1.38 -0.48 0.00 0.36 -3.43 -0.87 -1.18 115.29 108.32 1qb0 s HIS 472 Ca 0.27 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.76 1qb0 s HIS 472 Cb -0.12 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.60 1qb0 s HIS 472 CO 0.19 -0.90 0.00 0.00 -2.00 0.00 0.00 174.74 172.04 1qb0 h GLU 474 N 0.00 0.06 -0.01 0.00 4.81 -1.94 -1.66 114.58 115.83 1qb0 h GLU 474 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1qb0 h GLU 474 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1qb0 h GLU 474 CO 0.00 0.98 -0.12 1.19 -0.73 0.00 0.00 179.01 180.32 1qb0 n PHE 475 N -4.56 0.00 -2.74 0.92 3.72 -1.26 -1.40 117.46 112.14 1qb0 n PHE 475 Ca -0.10 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.11 1qb0 n PHE 475 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1qb0 n PHE 475 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1qb0 n SER 476 N 0.16 -4.96 -0.13 4.37 7.64 -1.26 -3.77 113.62 115.67 1qb0 n SER 476 Ca 0.06 -0.09 -0.26 0.00 1.01 0.00 0.00 58.87 59.59 1qb0 n SER 476 Cb 0.26 -4.11 -0.10 0.00 -1.01 0.00 0.00 64.21 59.25 1qb0 n SER 476 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1qb0 n SER 477 N -2.13 1.93 -0.01 6.43 2.88 -1.26 -4.65 113.62 116.81 1qb0 n SER 477 Ca -0.14 0.36 -0.05 0.00 -1.33 0.00 0.00 58.87 57.72 1qb0 n SER 477 Cb 0.62 -0.85 -0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1qb0 n SER 477 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1qb0 n GLU 478 N -4.31 0.19 0.04 -1.46 -0.58 -1.26 -4.64 120.64 108.62 1qb0 n GLU 478 Ca -0.46 0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.24 1qb0 n GLU 478 Cb 0.80 -0.84 -0.08 0.00 -0.57 0.00 0.00 31.44 30.76 1qb0 n GLU 478 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qb0 h ARG 479 N -0.36 -0.03 0.47 3.49 3.08 -1.95 -2.49 114.38 116.60 1qb0 h ARG 479 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1qb0 h ARG 479 Cb 0.51 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1qb0 h ARG 479 CO -0.03 0.08 -0.33 0.78 -1.07 0.00 0.00 179.97 179.41 1qb0 h GLY 480 N -0.13 -0.84 0.68 0.04 0.00 -1.88 -2.23 103.07 98.72 1qb0 h GLY 480 Ca -0.00 0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.77 1qb0 h GLY 480 CO 0.00 -0.31 0.57 -2.55 0.00 0.00 0.00 176.54 174.26 1qb0 h PRO 481 N -0.78 0.98 -0.71 4.80 0.11 -1.82 -1.32 132.00 133.27 1qb0 h PRO 481 Ca -0.05 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.95 1qb0 h PRO 481 Cb 0.65 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1qb0 h PRO 481 CO 0.03 0.65 0.24 -0.09 -0.21 0.00 0.00 178.00 178.61 1qb0 h ARG 482 N 1.01 1.09 -0.32 1.05 2.43 -1.34 -1.42 114.38 116.88 1qb0 h ARG 482 Ca 0.40 -0.23 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 1qb0 h ARG 482 Cb 0.22 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1qb0 h ARG 482 CO -0.19 0.93 -0.40 1.98 -1.51 0.00 0.00 179.97 180.78 1qb0 h MET 483 N 1.04 0.78 -0.14 0.20 4.05 -1.00 -1.21 114.93 118.65 1qb0 h MET 483 Ca 0.23 -0.41 0.01 0.00 -0.28 0.00 0.00 59.70 59.25 1qb0 h MET 483 Cb 0.28 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 1qb0 h MET 483 CO -0.01 1.04 0.06 0.00 0.23 0.00 0.00 176.91 178.23 1qb0 h ARG 485 N 0.14 1.28 -0.31 0.00 3.08 -1.11 -1.10 114.38 116.36 1qb0 h ARG 485 Ca 0.06 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1qb0 h ARG 485 Cb 0.02 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1qb0 h ARG 485 CO -0.05 0.91 0.15 0.35 -1.07 0.00 0.00 179.97 180.27 1qb0 h PHE 486 N 1.29 0.43 -0.56 3.04 3.57 -0.82 -0.08 116.94 123.81 1qb0 h PHE 486 Ca 0.33 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 1qb0 h PHE 486 Cb -0.02 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1qb0 h PHE 486 CO 0.01 0.38 0.11 0.82 -2.23 0.00 0.00 178.31 177.40 1qb0 h ILE 487 N 0.36 1.23 -0.79 1.41 1.08 -0.66 -0.86 117.51 119.29 1qb0 h ILE 487 Ca 0.11 -0.87 -0.05 0.00 -0.39 0.00 0.00 64.86 63.66 1qb0 h ILE 487 Cb 0.10 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1qb0 h ILE 487 CO -0.01 0.32 0.31 -0.09 -0.69 0.00 0.00 178.15 177.99 1qb0 h ARG 488 N 0.83 1.18 -0.36 2.37 9.65 -0.81 0.39 114.38 127.63 1qb0 h ARG 488 Ca 0.18 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1qb0 h ARG 488 Cb 0.33 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1qb0 h ARG 488 CO 0.00 0.96 0.22 0.93 2.80 0.00 0.00 179.97 184.88 1qb0 h GLU 489 N 1.15 0.43 -0.27 0.20 5.08 -0.36 -0.15 114.58 120.67 1qb0 h GLU 489 Ca 0.26 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1qb0 h GLU 489 Cb 0.22 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1qb0 h GLU 489 CO -0.02 0.29 -0.28 0.00 -1.00 0.00 0.00 179.01 177.99 1qb0 h ARG 490 N 0.45 0.53 -0.51 2.33 2.47 -0.81 -0.98 114.38 117.86 1qb0 h ARG 490 Ca 0.14 -0.22 -0.04 0.00 -1.26 0.00 0.00 59.98 58.60 1qb0 h ARG 490 Cb -0.02 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1qb0 h ARG 490 CO -0.05 0.77 0.18 0.22 0.56 0.00 0.00 179.97 181.65 1qb0 h ASP 491 N 0.46 0.73 -0.44 7.04 1.82 -0.62 -1.21 116.42 124.20 1qb0 h ASP 491 Ca 0.06 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.50 1qb0 h ASP 491 Cb 0.73 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.53 1qb0 h ASP 491 CO 0.06 0.72 0.23 0.03 -1.61 0.00 0.00 179.24 178.66 1qb0 h ARG 492 N 0.69 0.63 -0.92 0.28 2.47 -0.84 -2.93 114.38 113.76 1qb0 h ARG 492 Ca 0.17 -0.08 0.05 0.00 -1.26 0.00 0.00 59.98 58.85 1qb0 h ARG 492 Cb 0.24 -0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.38 1qb0 h ARG 492 CO -0.01 0.52 0.60 0.00 0.56 0.00 0.00 179.97 181.64 1qb0 h ALA 493 N 1.07 1.46 -0.16 0.04 0.00 -0.64 -2.65 119.26 118.38 1qb0 h ALA 493 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qb0 h ALA 493 Cb 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1qb0 h ALA 493 CO -0.02 0.43 0.00 1.33 0.00 0.00 0.00 179.25 180.99 1qb0 n VAL 494 N -4.47 0.20 -4.61 0.00 0.24 -0.51 -4.92 118.33 104.27 1qb0 n VAL 494 Ca 0.13 -0.39 -0.28 0.00 -2.04 0.00 0.00 64.34 61.76 1qb0 n VAL 494 Cb 0.15 0.54 -0.11 0.00 -1.47 0.00 0.00 33.84 32.95 1qb0 n VAL 494 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1qb0 s ASN 495 N -1.66 3.83 -0.27 -1.34 0.01 -1.00 -5.09 114.94 109.42 1qb0 s ASN 495 Ca 0.34 -1.35 -0.18 0.00 -0.71 0.00 0.00 52.86 50.95 1qb0 s ASN 495 Cb 0.19 -0.39 -0.02 0.00 0.41 0.00 0.00 41.25 41.44 1qb0 s ASN 495 CO 0.28 -0.43 0.54 -1.81 -1.51 0.00 0.00 177.10 174.18 1qb0 s ASP 496 N -3.69 6.45 0.30 -1.22 1.01 -1.26 -4.94 116.67 113.32 1qb0 s ASP 496 Ca 0.35 0.51 -0.28 0.00 0.71 0.00 0.00 52.55 53.84 1qb0 s ASP 496 Cb 0.09 -2.29 -0.14 0.00 1.01 0.00 0.00 42.92 41.59 1qb0 s ASP 496 CO 0.18 -0.33 1.09 0.00 0.21 0.00 0.00 175.17 176.32 1qb0 n TYR 497 N 5.61 1.55 -0.71 4.23 4.19 -1.26 -1.74 117.16 129.04 1qb0 n TYR 497 Ca -0.03 0.66 0.08 0.00 3.31 0.00 0.00 57.90 61.92 1qb0 n TYR 497 Cb 0.49 -2.30 0.38 0.00 0.49 0.00 0.00 39.34 38.41 1qb0 n TYR 497 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1qb0 n PRO 498 N 0.68 4.23 -1.72 2.98 -0.04 -1.26 -5.13 135.00 134.74 1qb0 n PRO 498 Ca 0.08 -2.96 -0.38 0.00 -0.04 0.00 0.00 63.50 60.20 1qb0 n PRO 498 Cb 0.33 -2.06 0.06 0.00 -0.04 0.00 0.00 33.50 31.79 1qb0 n PRO 498 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1qb0 n SER 499 N 0.91 2.12 -3.75 3.54 7.64 -0.71 -4.11 113.62 119.25 1qb0 n SER 499 Ca 0.26 0.88 -0.12 0.00 1.01 0.00 0.00 58.87 60.90 1qb0 n SER 499 Cb 1.02 -1.54 -0.08 0.00 -1.01 0.00 0.00 64.21 62.60 1qb0 n SER 499 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qb0 s LEU 500 N -3.73 0.85 0.16 -3.43 1.43 -1.26 -4.62 118.68 108.08 1qb0 s LEU 500 Ca 0.78 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 1qb0 s LEU 500 Cb -0.40 1.33 -0.02 0.00 0.03 0.00 0.00 46.19 47.12 1qb0 s LEU 500 CO 0.44 -0.54 1.37 1.88 0.23 0.00 0.00 176.35 179.73 1qb0 h TYR 501 N 3.52 0.25 -2.44 0.29 0.05 -1.97 -3.38 116.97 113.30 1qb0 h TYR 501 Ca -0.31 -0.15 -0.59 0.00 0.05 0.00 0.00 58.73 57.73 1qb0 h TYR 501 Cb 1.19 -0.03 -0.40 0.00 1.01 0.00 0.00 36.73 38.50 1qb0 h TYR 501 CO 0.49 0.97 -0.81 0.66 -1.05 0.00 0.00 178.16 178.42 1qb0 n TYR 502 N -3.63 1.38 0.29 4.88 4.01 -1.26 -4.92 117.16 117.91 1qb0 n TYR 502 Ca -0.03 -3.83 0.19 0.00 -0.16 0.00 0.00 57.90 54.06 1qb0 n TYR 502 Cb 0.82 -0.30 0.83 0.00 -0.31 0.00 0.00 39.34 40.38 1qb0 n TYR 502 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1qb0 h PRO 503 N 4.87 0.00 -4.47 -0.72 0.13 -1.88 -3.41 132.00 126.52 1qb0 h PRO 503 Ca 0.18 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.67 1qb0 h PRO 503 Cb 0.80 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.55 1qb0 h PRO 503 CO 0.59 0.01 -0.77 -2.00 -0.23 0.00 0.00 178.00 175.60 1qb0 s GLU 504 N -3.81 1.65 -0.01 0.86 2.12 -1.26 -1.32 118.70 116.93 1qb0 s GLU 504 Ca -0.01 -1.27 0.02 0.00 0.36 0.00 0.00 54.97 54.07 1qb0 s GLU 504 Cb 0.10 -2.73 -0.00 0.00 0.26 0.00 0.00 34.13 31.76 1qb0 s GLU 504 CO 0.51 -0.70 -0.06 -1.64 -0.54 0.00 0.00 175.26 172.83 1qb0 s MET 505 N 1.24 0.56 0.31 4.30 -1.94 -1.26 -2.12 119.30 120.39 1qb0 s MET 505 Ca -0.02 -0.21 0.06 0.00 -1.71 0.00 0.00 55.69 53.81 1qb0 s MET 505 Cb -0.19 -0.55 -0.06 0.00 2.01 0.00 0.00 34.83 36.04 1qb0 s MET 505 CO -0.08 0.10 -0.01 0.71 -0.01 0.00 0.00 175.02 175.73 1qb0 s TYR 506 N 0.02 2.01 -0.08 -0.03 2.02 0.16 -4.59 117.35 116.86 1qb0 s TYR 506 Ca 0.00 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 1qb0 s TYR 506 Cb -0.04 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1qb0 s TYR 506 CO -0.00 0.21 -0.07 0.42 -1.57 0.00 0.00 175.55 174.54 1qb0 s ILE 507 N -3.08 3.71 -0.41 2.71 -1.09 0.22 -0.34 121.20 122.91 1qb0 s ILE 507 Ca 0.32 -0.47 -0.26 0.00 -2.23 0.00 0.00 60.65 58.01 1qb0 s ILE 507 Cb 0.06 -2.53 0.02 0.00 -1.58 0.00 0.00 42.46 38.43 1qb0 s ILE 507 CO 0.14 0.58 0.96 -0.22 -1.23 0.00 0.00 174.94 175.17 1qb0 s LEU 508 N -0.64 3.95 0.15 2.97 2.96 -0.33 -0.78 118.68 126.97 1qb0 s LEU 508 Ca 0.10 0.43 -0.32 0.00 -0.22 0.00 0.00 54.13 54.12 1qb0 s LEU 508 Cb -0.12 -3.29 -0.12 0.00 0.50 0.00 0.00 46.19 43.17 1qb0 s LEU 508 CO 0.02 -0.97 1.78 1.17 -1.32 0.00 0.00 176.35 177.02 1qb0 n LYS 509 N 7.05 2.72 0.00 1.98 3.00 0.00 -1.57 118.16 131.34 1qb0 n LYS 509 Ca 0.08 0.99 0.00 0.00 -0.00 0.00 0.00 58.31 59.37 1qb0 n LYS 509 Cb 0.48 -2.85 0.00 0.00 0.00 0.00 0.00 35.03 32.66 1qb0 n LYS 509 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qb0 n GLY 510 N 4.07 2.36 7.00 3.14 0.00 -1.25 -4.68 105.19 115.84 1qb0 n GLY 510 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1qb0 n GLY 510 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qb0 n GLY 511 N -2.00 -0.03 0.26 -0.02 0.00 -0.61 -2.55 105.19 100.25 1qb0 n GLY 511 Ca 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 46.02 45.06 1qb0 n GLY 511 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1qb0 h TYR 512 N 0.00 0.49 -0.97 1.61 3.20 -0.90 -1.27 116.97 119.13 1qb0 h TYR 512 Ca 0.00 -0.06 0.15 0.00 3.14 0.00 0.00 58.73 61.97 1qb0 h TYR 512 Cb 0.00 -0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.04 1qb0 h TYR 512 CO 0.00 0.52 0.58 -0.22 -1.64 0.00 0.00 178.16 177.40 1qb0 h LYS 513 N 0.45 0.80 0.00 1.82 3.64 -1.32 -0.43 116.57 121.53 1qb0 h LYS 513 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1qb0 h LYS 513 Cb 0.37 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1qb0 h LYS 513 CO 0.02 0.53 -0.99 0.39 -2.27 0.00 0.00 179.45 177.12 1qb0 n GLU 514 N -4.73 0.38 0.03 1.90 -0.58 -1.03 -4.35 120.64 112.26 1qb0 n GLU 514 Ca 0.20 0.03 -0.19 0.00 -0.42 0.00 0.00 57.16 56.78 1qb0 n GLU 514 Cb 0.45 -1.66 -0.14 0.00 -0.57 0.00 0.00 31.44 29.52 1qb0 n GLU 514 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1qb0 h PHE 515 N 0.00 0.52 -0.51 -0.32 3.57 -0.19 -3.32 116.94 116.68 1qb0 h PHE 515 Ca 0.00 -0.35 0.09 0.00 3.53 0.00 0.00 57.97 61.24 1qb0 h PHE 515 Cb 0.81 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.44 1qb0 h PHE 515 CO 0.00 1.25 0.07 0.35 -2.23 0.00 0.00 178.31 177.75 1qb0 h PHE 516 N -0.36 0.10 0.00 0.41 3.57 -1.32 -0.66 116.94 118.69 1qb0 h PHE 516 Ca -0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1qb0 h PHE 516 Cb 1.52 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.30 1qb0 h PHE 516 CO 0.19 -0.04 0.00 -1.00 -2.23 0.00 0.00 178.31 175.23 1qb0 h PRO 517 N 0.20 0.00 0.10 6.41 0.13 -1.76 -2.63 132.00 134.45 1qb0 h PRO 517 Ca 0.26 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.06 1qb0 h PRO 517 Cb 0.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1qb0 h PRO 517 CO -0.37 0.00 -1.82 1.96 -0.23 0.00 0.00 178.00 177.54 1qb0 h GLN 518 N 0.00 0.21 -2.08 0.86 1.08 -1.28 -3.44 115.11 110.46 1qb0 h GLN 518 Ca 0.00 -0.37 -0.52 0.00 -1.45 0.00 0.00 58.65 56.31 1qb0 h GLN 518 Cb 0.27 0.14 -0.41 0.00 -0.05 0.00 0.00 27.48 27.43 1qb0 h GLN 518 CO 0.00 1.18 -1.01 0.72 -0.95 0.00 0.00 178.83 178.76 1qb0 n HIS 519 N -3.70 1.31 0.27 2.96 8.25 -0.41 -4.96 115.22 118.93 1qb0 n HIS 519 Ca -0.32 -3.86 0.11 0.00 -0.26 0.00 0.00 57.72 53.40 1qb0 n HIS 519 Cb 0.97 -0.44 0.75 0.00 1.12 0.00 0.00 29.99 32.39 1qb0 n HIS 519 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1qb0 h PRO 520 N 3.16 0.00 0.00 -0.41 0.13 -1.70 0.19 132.00 133.37 1qb0 h PRO 520 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1qb0 h PRO 520 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1qb0 h PRO 520 CO 0.60 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.66 1qb0 n ASN 521 N -4.27 0.00 -1.67 1.44 5.15 -1.26 -2.02 115.26 112.62 1qb0 n ASN 521 Ca -0.03 -0.38 0.08 0.00 -0.60 0.00 0.00 54.58 53.66 1qb0 n ASN 521 Cb 0.10 -0.17 0.37 0.00 -0.53 0.00 0.00 39.78 39.55 1qb0 n ASN 521 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1qb0 n PHE 522 N -1.17 1.71 -4.35 1.20 3.01 0.68 -4.93 117.46 113.61 1qb0 n PHE 522 Ca 0.15 -0.67 -0.24 0.00 1.01 0.00 0.00 57.45 57.69 1qb0 n PHE 522 Cb 0.15 -0.36 -0.12 0.00 -0.01 0.00 0.00 39.48 39.14 1qb0 n PHE 522 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qb0 s GLU 524 N -2.46 0.24 0.92 0.00 2.56 0.74 -4.00 118.70 116.70 1qb0 s GLU 524 Ca 0.15 0.75 -0.11 0.00 0.00 0.00 0.00 54.97 55.75 1qb0 s GLU 524 Cb -0.08 0.01 0.15 0.00 2.00 0.00 0.00 34.13 36.21 1qb0 s GLU 524 CO 0.07 -0.22 1.09 -1.25 -0.56 0.00 0.00 175.26 174.39 1qb0 s PRO 525 N 1.93 1.02 -1.26 4.30 0.04 -1.26 -1.97 135.00 137.79 1qb0 s PRO 525 Ca -0.04 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 61.76 1qb0 s PRO 525 Cb -0.11 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1qb0 s PRO 525 CO -0.10 -2.44 2.07 1.04 0.04 0.00 0.00 177.00 177.61 1qb0 n GLN 526 N -4.03 2.53 -3.84 4.56 6.02 -1.26 -4.23 117.38 117.13 1qb0 n GLN 526 Ca 0.07 -2.52 -0.10 0.00 -0.01 0.00 0.00 57.00 54.44 1qb0 n GLN 526 Cb 0.55 -3.26 0.02 0.00 1.02 0.00 0.00 30.24 28.56 1qb0 n GLN 526 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1qb0 s ASP 527 N 3.93 0.15 -0.06 1.08 -1.08 -1.26 -5.10 116.67 114.34 1qb0 s ASP 527 Ca 0.52 -1.22 -0.01 0.00 -0.52 0.00 0.00 52.55 51.31 1qb0 s ASP 527 Cb 0.12 0.83 0.03 0.00 -1.46 0.00 0.00 42.92 42.44 1qb0 s ASP 527 CO -0.01 -1.66 0.02 -0.47 0.52 0.00 0.00 175.17 173.57 1qb0 s TYR 528 N -2.33 0.51 -0.30 -5.34 5.04 -1.23 -4.24 117.35 109.46 1qb0 s TYR 528 Ca 0.18 -0.06 -0.00 0.00 -2.44 0.00 0.00 57.07 54.75 1qb0 s TYR 528 Cb -0.04 -0.71 0.06 0.00 0.35 0.00 0.00 41.96 41.62 1qb0 s TYR 528 CO 0.13 -0.29 -0.01 0.50 -1.34 0.00 0.00 175.55 174.54 1qb0 s ARG 529 N 1.99 2.27 0.77 4.97 3.52 -1.26 -5.02 118.95 126.20 1qb0 s ARG 529 Ca 0.04 -1.38 -0.13 0.00 -0.13 0.00 0.00 55.73 54.14 1qb0 s ARG 529 Cb -0.12 -3.14 0.06 0.00 -1.56 0.00 0.00 34.95 30.19 1qb0 s ARG 529 CO -0.05 -0.67 1.14 -2.14 -0.81 0.00 0.00 175.30 172.78 1qb0 s PRO 530 N 1.18 2.03 0.22 5.12 0.02 -1.26 -4.64 135.00 137.66 1qb0 s PRO 530 Ca -0.04 1.47 -0.09 0.00 0.02 0.00 0.00 61.00 62.36 1qb0 s PRO 530 Cb -0.20 -1.85 0.19 0.00 0.02 0.00 0.00 34.50 32.66 1qb0 s PRO 530 CO -0.03 -1.86 1.89 1.98 -0.33 0.00 0.00 177.00 178.65 1qb0 h MET 531 N -0.85 1.10 -0.89 5.54 1.85 -1.99 -2.08 114.93 117.62 1qb0 h MET 531 Ca -0.45 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 58.56 1qb0 h MET 531 Cb 1.26 -0.24 -0.00 0.00 0.43 0.00 0.00 31.60 33.04 1qb0 h MET 531 CO 0.49 0.74 0.01 0.09 -0.40 0.00 0.00 176.91 177.84 1qb0 n ASN 532 N -4.49 2.34 -4.69 1.39 3.02 -1.26 -4.92 115.26 106.65 1qb0 n ASN 532 Ca 0.09 -2.26 -0.44 0.00 -0.03 0.00 0.00 54.58 51.93 1qb0 n ASN 532 Cb 0.02 -0.55 -0.04 0.00 -0.61 0.00 0.00 39.78 38.60 1qb0 n ASN 532 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1qb0 n HIS 533 N 0.17 2.48 -0.32 3.10 -0.00 -0.78 -4.85 115.22 115.01 1qb0 n HIS 533 Ca 0.08 0.16 0.20 0.00 -0.00 0.00 0.00 57.72 58.16 1qb0 n HIS 533 Cb 0.52 -2.61 0.47 0.00 -0.00 0.00 0.00 29.99 28.38 1qb0 n HIS 533 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1qb0 h GLU 534 N 6.40 0.45 -0.15 1.57 4.57 -1.91 -1.07 114.58 124.44 1qb0 h GLU 534 Ca -0.44 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1qb0 h GLU 534 Cb 1.23 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1qb0 h GLU 534 CO 0.92 0.30 0.00 0.00 -1.18 0.00 0.00 179.01 179.05 1qb0 n ALA 535 N -2.44 2.53 -1.75 2.92 0.00 -1.26 -4.12 120.51 116.38 1qb0 n ALA 535 Ca 0.24 -0.46 0.06 0.00 0.00 0.00 0.00 53.44 53.28 1qb0 n ALA 535 Cb 0.80 -1.11 0.13 0.00 0.00 0.00 0.00 19.45 19.28 1qb0 n ALA 535 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qb0 n PHE 536 N 0.15 0.00 0.03 0.00 3.01 -0.40 -4.76 117.46 115.49 1qb0 n PHE 536 Ca 0.15 -1.05 0.02 0.00 1.01 0.00 0.00 57.45 57.59 1qb0 n PHE 536 Cb 0.28 -0.19 0.38 0.00 -0.01 0.00 0.00 39.48 39.94 1qb0 n PHE 536 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1qb0 h LYS 537 N 0.73 0.46 -0.13 -1.08 1.57 -1.72 -1.29 116.57 115.11 1qb0 h LYS 537 Ca -0.05 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.44 1qb0 h LYS 537 Cb 1.24 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1qb0 h LYS 537 CO 0.02 0.42 -0.79 -0.44 -0.57 0.00 0.00 179.45 178.09 1qb0 h ASP 538 N 0.46 0.87 -0.30 0.86 3.32 -1.93 -2.74 116.42 116.96 1qb0 h ASP 538 Ca 0.11 -0.58 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1qb0 h ASP 538 Cb 0.15 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1qb0 h ASP 538 CO -0.01 1.37 0.12 -0.33 -1.72 0.00 0.00 179.24 178.68 1qb0 h GLU 539 N 0.49 0.51 -0.18 3.56 3.07 -1.82 -0.85 114.58 119.37 1qb0 h GLU 539 Ca -0.05 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 1qb0 h GLU 539 Cb 1.42 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.22 1qb0 h GLU 539 CO 0.16 0.44 0.06 1.25 -1.40 0.00 0.00 179.01 179.52 1qb0 h LEU 540 N 0.51 0.25 -0.54 1.33 6.46 -1.10 -2.03 115.31 120.18 1qb0 h LEU 540 Ca 0.12 -0.20 -0.11 0.00 -0.12 0.00 0.00 57.88 57.57 1qb0 h LEU 540 Cb 0.14 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1qb0 h LEU 540 CO -0.01 0.38 -0.11 0.11 -0.62 0.00 0.00 178.44 178.20 1qb0 h LYS 541 N 0.11 1.03 -0.82 1.25 1.57 -1.17 -2.14 116.57 116.40 1qb0 h LYS 541 Ca 0.06 -0.38 0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1qb0 h LYS 541 Cb 0.22 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1qb0 h LYS 541 CO -0.00 1.07 0.54 1.15 -0.57 0.00 0.00 179.45 181.64 1qb0 h THR 542 N 0.91 1.18 -0.16 -0.16 2.02 -1.10 -2.38 112.91 113.22 1qb0 h THR 542 Ca 0.14 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1qb0 h THR 542 Cb 0.68 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1qb0 h THR 542 CO 0.05 0.20 -0.01 0.15 0.37 0.00 0.00 175.52 176.28 1qb0 h PHE 543 N 1.08 0.31 -0.78 3.16 3.57 -1.27 -3.13 116.94 119.88 1qb0 h PHE 543 Ca 0.31 -0.06 0.14 0.00 3.53 0.00 0.00 57.97 61.89 1qb0 h PHE 543 Cb -0.07 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 1qb0 h PHE 543 CO -0.02 0.52 0.51 0.00 -2.23 0.00 0.00 178.31 177.09 1qb0 h ARG 544 N 0.02 0.51 0.00 1.11 2.47 -1.10 0.02 114.38 117.41 1qb0 h ARG 544 Ca 0.04 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1qb0 h ARG 544 Cb 0.40 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1qb0 h ARG 544 CO 0.01 0.34 0.00 1.28 0.56 0.00 0.00 179.97 182.16 1qb0 n LEU 545 N -4.50 0.00 -0.23 3.04 4.77 -0.92 -2.00 117.00 117.15 1qb0 n LEU 545 Ca 0.15 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1qb0 n LEU 545 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1qb0 n LEU 545 CO 0.32 0.00 0.12 0.29 -1.33 0.00 0.00 177.39 176.79 1qb0 n LYS 546 N -0.96 0.71 -1.89 3.23 5.02 -0.01 -5.01 118.16 119.24 1qb0 n LYS 546 Ca 0.14 -0.47 -0.32 0.00 -2.02 0.00 0.00 58.31 55.65 1qb0 n LYS 546 Cb 0.07 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 1qb0 n LYS 546 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qb0 s THR 547 N -2.69 3.93 0.18 -0.18 -4.23 -0.85 -4.95 115.64 106.85 1qb0 s THR 547 Ca 0.13 0.81 0.21 0.00 -1.18 0.00 0.00 61.69 61.65 1qb0 s THR 547 Cb 0.16 -3.41 0.17 0.00 1.34 0.00 0.00 72.50 70.77 1qb0 s THR 547 CO 0.71 -0.65 1.78 -0.09 -0.54 0.00 0.00 174.62 175.84 1qb0 h ARG 548 N 0.04 0.00 -2.08 3.99 2.43 -1.95 -3.46 114.38 113.36 1qb0 h ARG 548 Ca -0.46 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 1qb0 h ARG 548 Cb 1.21 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.58 1qb0 h ARG 548 CO 0.57 0.31 0.27 0.45 -1.51 0.00 0.00 179.97 180.07 1qb0 s SER 549 N -6.37 -0.58 0.00 -3.80 0.15 -1.26 -5.02 113.70 96.82 1qb0 s SER 549 Ca -0.00 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1qb0 s SER 549 Cb 0.11 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1qb0 s SER 549 CO 0.67 -0.61 0.23 -2.67 1.20 0.00 0.00 173.24 172.05 1qb0 n TRP 550 N 0.64 0.00 0.00 3.44 2.14 -1.26 -5.17 117.44 117.23 1qb0 n TRP 550 Ca -0.17 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.40 1qb0 n TRP 550 Cb 0.59 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.09 1qb0 n TRP 550 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76