#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5g h VAL 363 N 0.00 1.27 -0.22 1.08 3.04 -2.02 0.27 116.25 119.67 2h5g h VAL 363 Ca 0.00 -1.29 -0.12 0.00 -1.01 0.00 0.00 66.70 64.28 2h5g h VAL 363 Cb 0.00 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 2h5g h VAL 363 CO 0.00 0.40 -0.38 -0.33 -1.01 0.00 0.00 177.57 176.24 2h5g h GLU 364 N 0.31 0.50 -0.30 4.17 3.07 -2.05 -0.26 114.58 120.03 2h5g h GLU 364 Ca 0.04 -0.24 -0.11 0.00 -0.50 0.00 0.00 59.36 58.55 2h5g h GLU 364 Cb 0.68 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2h5g h GLU 364 CO 0.05 0.81 -0.26 1.96 -1.40 0.00 0.00 179.01 180.17 2h5g h GLN 365 N 0.42 0.59 -0.44 2.33 4.20 -1.88 -2.35 115.11 117.97 2h5g h GLN 365 Ca 0.04 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 2h5g h GLN 365 Cb 0.86 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 2h5g h GLN 365 CO 0.07 0.79 0.08 1.96 -0.67 0.00 0.00 178.83 181.07 2h5g h GLN 366 N 0.51 0.73 -0.44 1.46 4.20 -0.75 -3.06 115.11 117.77 2h5g h GLN 366 Ca 0.07 -0.19 0.07 0.00 0.06 0.00 0.00 58.65 58.66 2h5g h GLN 366 Cb 0.72 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 2h5g h GLN 366 CO 0.06 0.75 0.11 0.78 -0.67 0.00 0.00 178.83 179.85 2h5g h GLY 367 N 0.60 0.54 -1.67 3.46 0.00 -0.93 -0.39 103.07 104.68 2h5g h GLY 367 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2h5g h GLY 367 CO 0.01 -0.03 0.00 -1.84 0.00 0.00 0.00 176.54 174.68 2h5g n GLU 368 N -5.08 0.34 0.00 4.80 0.00 -0.89 -1.22 120.64 118.59 2h5g n GLU 368 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 2h5g n GLU 368 Cb 0.20 -1.28 0.00 0.00 0.00 0.00 0.00 31.44 30.36 2h5g n GLU 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2h5g n ALA 370 N 0.67 0.00 -0.01 -1.84 0.00 -0.16 -1.32 120.51 117.84 2h5g n ALA 370 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2h5g n ALA 370 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 2h5g n ALA 370 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2h5g h ARG 371 N 0.00 0.15 -0.39 0.00 2.43 -1.41 0.18 114.38 115.34 2h5g h ARG 371 Ca 0.00 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 2h5g h ARG 371 Cb 0.00 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2h5g h ARG 371 CO 0.00 0.17 -0.37 0.66 -1.51 0.00 0.00 179.97 178.92 2h5g h SER 372 N 0.09 1.00 -0.57 -3.80 4.64 -1.48 -1.58 113.55 111.86 2h5g h SER 372 Ca 0.04 -0.45 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 2h5g h SER 372 Cb 0.06 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 2h5g h SER 372 CO -0.01 1.25 0.26 1.23 -0.87 0.00 0.00 176.83 178.69 2h5g h GLY 373 N 0.79 0.93 0.81 -0.77 0.00 -1.80 -3.02 103.07 100.02 2h5g h GLY 373 Ca 0.07 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2h5g h GLY 373 CO 0.09 0.44 0.01 -1.33 0.00 0.00 0.00 176.54 175.76 2h5g h GLY 374 N 0.97 0.08 -1.51 4.60 0.00 -0.34 -0.35 103.07 106.52 2h5g h GLY 374 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2h5g h GLY 374 CO -0.02 0.05 0.00 0.54 0.00 0.00 0.00 176.54 177.11 2h5g n ARG 375 N -4.94 0.00 0.00 4.80 1.74 -0.62 -1.17 116.66 116.48 2h5g n ARG 375 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2h5g n ARG 375 Cb 0.13 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2h5g n ARG 375 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2h5g n LEU 377 N 0.74 0.00 0.25 0.55 7.94 -0.14 -2.31 117.00 124.04 2h5g n LEU 377 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 2h5g n LEU 377 Cb 0.00 0.00 0.68 0.00 0.53 0.00 0.00 43.42 44.63 2h5g n LEU 377 CO 0.00 0.00 0.95 0.00 -1.11 0.00 0.00 177.39 177.23 2h5g h ALA 378 N 0.00 1.28 0.00 1.96 0.00 -1.31 -2.80 119.26 118.38 2h5g h ALA 378 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2h5g h ALA 378 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2h5g h ALA 378 CO 0.00 0.18 -0.55 0.25 0.00 0.00 0.00 179.25 179.13 2h5g n THR 379 N -3.66 0.28 -0.90 0.00 -2.24 -0.98 -4.88 114.28 101.92 2h5g n THR 379 Ca -0.02 -0.21 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 2h5g n THR 379 Cb 0.26 -0.10 0.15 0.00 -2.10 0.00 0.00 70.33 68.54 2h5g n THR 379 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2h5g n LEU 380 N -1.98 3.84 -4.77 3.22 4.77 -1.06 -5.01 117.00 116.02 2h5g n LEU 380 Ca 0.04 0.50 -0.34 0.00 -0.03 0.00 0.00 56.01 56.18 2h5g n LEU 380 Cb 0.42 -1.49 0.03 0.00 -2.33 0.00 0.00 43.42 40.05 2h5g n LEU 380 CO 0.35 -1.94 0.77 -1.61 -1.33 0.00 0.00 177.39 173.63 2h5g s GLU 381 N -4.35 2.97 0.31 3.23 0.41 -1.26 -4.92 118.70 115.09 2h5g s GLU 381 Ca 0.70 1.55 0.02 0.00 -0.41 0.00 0.00 54.97 56.83 2h5g s GLU 381 Cb -0.26 -1.96 0.59 0.00 -1.78 0.00 0.00 34.13 30.71 2h5g s GLU 381 CO 0.54 -1.15 1.90 -1.35 -0.49 0.00 0.00 175.26 174.72 2h5g h PRO 382 N 0.52 0.93 0.00 0.39 0.11 -1.95 -2.03 132.00 129.97 2h5g h PRO 382 Ca -0.48 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 2h5g h PRO 382 Cb 1.26 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2h5g h PRO 382 CO 0.55 0.62 -0.11 0.93 -0.21 0.00 0.00 178.00 179.78 2h5g h GLU 383 N 0.96 0.00 -0.08 1.05 3.07 -1.91 -0.83 114.58 116.83 2h5g h GLU 383 Ca 0.40 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.05 2h5g h GLU 383 Cb 0.29 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2h5g h GLU 383 CO -0.16 0.11 -0.77 1.96 -1.40 0.00 0.00 179.01 178.75 2h5g h GLN 384 N 0.00 0.66 -0.51 2.33 4.20 -1.74 -1.09 115.11 118.96 2h5g h GLN 384 Ca -0.00 -0.61 -0.02 0.00 0.06 0.00 0.00 58.65 58.08 2h5g h GLN 384 Cb 0.22 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2h5g h GLN 384 CO 0.01 1.21 0.23 0.00 -0.67 0.00 0.00 178.83 179.62 2h5g h ARG 385 N 0.33 0.75 -0.85 1.46 3.08 -1.17 -1.97 114.38 116.00 2h5g h ARG 385 Ca -0.07 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 59.88 2h5g h ARG 385 Cb 1.42 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.29 2h5g h ARG 385 CO 0.16 0.63 0.55 0.00 -1.07 0.00 0.00 179.97 180.24 2h5g h ALA 386 N 1.08 1.10 -0.68 0.04 0.00 -1.18 -2.37 119.26 117.25 2h5g h ALA 386 Ca 0.17 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2h5g h ALA 386 Cb 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2h5g h ALA 386 CO -0.02 0.42 0.42 1.49 0.00 0.00 0.00 179.25 181.56 2h5g h GLU 387 N 1.09 0.81 -0.54 0.00 4.81 -0.91 0.22 114.58 120.05 2h5g h GLU 387 Ca 0.33 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 2h5g h GLU 387 Cb -0.04 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.12 2h5g h GLU 387 CO -0.10 0.53 0.33 0.82 -0.73 0.00 0.00 179.01 179.86 2h5g h ILE 388 N 0.83 1.06 -0.34 2.32 2.04 -0.89 -1.46 117.51 121.06 2h5g h ILE 388 Ca 0.27 -0.22 -0.15 0.00 1.00 0.00 0.00 64.86 65.76 2h5g h ILE 388 Cb 0.02 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2h5g h ILE 388 CO -0.11 0.12 -0.39 0.40 0.00 0.00 0.00 178.15 178.18 2h5g h ILE 389 N 0.65 1.28 -0.73 -0.67 2.04 -0.80 -1.14 117.51 118.14 2h5g h ILE 389 Ca 0.22 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 2h5g h ILE 389 Cb 0.02 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2h5g h ILE 389 CO -0.09 0.51 0.33 -0.74 0.00 0.00 0.00 178.15 178.16 2h5g h HIS 390 N 0.67 1.07 -0.55 1.37 2.76 -0.38 -0.82 115.15 119.27 2h5g h HIS 390 Ca 0.06 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 2h5g h HIS 390 Cb 0.95 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 2h5g h HIS 390 CO 0.05 0.80 -0.04 1.25 -1.30 0.00 0.00 177.93 178.70 2h5g h HIS 391 N 1.03 1.10 -0.40 5.26 -0.00 -1.00 -1.24 115.15 119.90 2h5g h HIS 391 Ca 0.25 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2h5g h HIS 391 Cb 0.15 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 2h5g h HIS 391 CO 0.01 1.00 0.26 1.25 -0.00 0.00 0.00 177.93 180.45 2h5g h LEU 392 N 0.88 0.47 -0.66 0.26 5.85 -0.95 -0.30 115.31 120.85 2h5g h LEU 392 Ca 0.15 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2h5g h LEU 392 Cb 0.59 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 2h5g h LEU 392 CO 0.04 0.36 0.36 0.00 -0.34 0.00 0.00 178.44 178.86 2h5g h ALA 393 N 1.13 0.88 -0.41 1.25 0.00 -0.87 -0.91 119.26 120.33 2h5g h ALA 393 Ca 0.15 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2h5g h ALA 393 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2h5g h ALA 393 CO -0.03 0.02 0.24 -0.44 0.00 0.00 0.00 179.25 179.04 2h5g h ASP 394 N 0.66 0.50 -0.04 0.00 3.32 -0.86 -2.75 116.42 117.25 2h5g h ASP 394 Ca 0.30 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2h5g h ASP 394 Cb 0.20 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2h5g h ASP 394 CO -0.19 0.42 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.65 2h5g h LEU 395 N 0.53 0.17 -1.03 1.55 3.38 -0.65 0.22 115.31 119.48 2h5g h LEU 395 Ca 0.15 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2h5g h LEU 395 Cb 0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2h5g h LEU 395 CO -0.03 0.24 0.33 -0.07 0.09 0.00 0.00 178.44 179.00 2h5g h LEU 396 N 0.19 0.92 0.23 1.67 3.38 -0.88 -0.52 115.31 120.31 2h5g h LEU 396 Ca 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2h5g h LEU 396 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2h5g h LEU 396 CO 0.01 0.79 -0.11 0.74 0.09 0.00 0.00 178.44 179.95 2h5g h THR 397 N 1.01 0.29 -0.47 0.22 2.02 -1.30 -3.09 112.91 111.58 2h5g h THR 397 Ca 0.24 -0.90 0.08 0.00 0.77 0.00 0.00 66.41 66.61 2h5g h THR 397 Cb 0.12 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 2h5g h THR 397 CO -0.03 0.08 0.05 0.44 0.37 0.00 0.00 175.52 176.43 2h5g h ASP 398 N -1.03 -0.09 -0.37 4.18 3.32 -0.59 -1.78 116.42 120.05 2h5g h ASP 398 Ca -0.03 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2h5g h ASP 398 Cb 0.37 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2h5g h ASP 398 CO 0.05 -0.02 0.03 0.00 -1.72 0.00 0.00 179.24 177.58 2h5g n GLN 399 N -5.16 3.28 -0.26 3.56 1.13 -0.20 -4.59 117.38 115.14 2h5g n GLN 399 Ca 0.05 -1.91 0.01 0.00 -1.94 0.00 0.00 57.00 53.20 2h5g n GLN 399 Cb 0.24 -1.95 0.08 0.00 0.11 0.00 0.00 30.24 28.72 2h5g n GLN 399 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2h5g h ARG 400 N 2.31 -0.02 -0.59 -1.09 2.43 -1.23 -1.33 114.38 114.87 2h5g h ARG 400 Ca 0.03 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2h5g h ARG 400 Cb 1.46 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.98 2h5g h ARG 400 CO 0.33 -0.01 0.36 -0.44 -1.51 0.00 0.00 179.97 178.70 2h5g h ASP 401 N -0.02 0.70 0.06 -3.80 5.19 -1.84 0.41 116.42 117.12 2h5g h ASP 401 Ca 0.35 -0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.56 2h5g h ASP 401 Cb 0.55 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 2h5g h ASP 401 CO -0.77 0.54 -0.52 1.05 -3.12 0.00 0.00 179.24 176.42 2h5g h GLU 402 N 0.79 0.50 -0.09 3.56 9.09 -1.81 -1.38 114.58 125.25 2h5g h GLU 402 Ca 0.21 -0.31 0.01 0.00 0.05 0.00 0.00 59.36 59.32 2h5g h GLU 402 Cb -0.04 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.08 2h5g h GLU 402 CO -0.04 0.90 0.03 0.82 0.05 0.00 0.00 179.01 180.77 2h5g h ILE 403 N 0.39 0.98 -0.54 -1.06 2.04 -0.76 -1.51 117.51 117.05 2h5g h ILE 403 Ca 0.01 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2h5g h ILE 403 Cb 1.05 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 2h5g h ILE 403 CO 0.10 0.01 0.24 -0.07 0.00 0.00 0.00 178.15 178.43 2h5g h LEU 404 N 0.07 0.68 -0.27 1.44 3.38 -0.82 -0.50 115.31 119.28 2h5g h LEU 404 Ca 0.04 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2h5g h LEU 404 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2h5g h LEU 404 CO -0.04 0.60 -0.02 0.25 0.09 0.00 0.00 178.44 179.31 2h5g h LEU 405 N 0.76 0.49 -0.58 1.67 6.46 -1.07 0.16 115.31 123.20 2h5g h LEU 405 Ca 0.19 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 2h5g h LEU 405 Cb 0.11 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 2h5g h LEU 405 CO -0.02 0.70 0.23 0.00 -0.62 0.00 0.00 178.44 178.73 2h5g h ALA 406 N 0.81 0.76 -0.66 1.25 0.00 -0.94 -2.23 119.26 118.24 2h5g h ALA 406 Ca 0.08 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2h5g h ALA 406 Cb 0.46 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2h5g h ALA 406 CO 0.02 0.37 0.09 -0.97 0.00 0.00 0.00 179.25 178.76 2h5g h ASN 407 N 0.80 1.06 -0.91 0.00 -0.73 -1.00 -2.87 115.58 111.94 2h5g h ASN 407 Ca 0.19 -0.27 0.06 0.00 1.87 0.00 0.00 56.30 58.16 2h5g h ASN 407 Cb 0.21 -0.28 -0.06 0.00 0.27 0.00 0.00 38.32 38.45 2h5g h ASN 407 CO -0.01 1.07 0.57 0.50 -0.37 0.00 0.00 177.43 179.18 2h5g h LYS 408 N 1.02 1.01 -0.53 6.67 1.63 -0.46 -0.17 116.57 125.74 2h5g h LYS 408 Ca 0.20 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2h5g h LYS 408 Cb 0.47 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 2h5g h LYS 408 CO 0.02 0.67 0.31 0.87 -3.45 0.00 0.00 179.45 177.87 2h5g h LYS 409 N 1.04 0.72 -0.36 1.90 1.57 -1.23 -0.82 116.57 119.39 2h5g h LYS 409 Ca 0.40 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2h5g h LYS 409 Cb 0.18 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2h5g h LYS 409 CO -0.18 0.53 0.22 -0.44 -0.57 0.00 0.00 179.45 179.01 2h5g h ASP 410 N 0.71 0.43 -0.77 0.86 3.32 -1.16 -1.52 116.42 118.29 2h5g h ASP 410 Ca 0.19 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2h5g h ASP 410 Cb -0.00 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2h5g h ASP 410 CO -0.03 0.35 0.39 -0.07 -1.72 0.00 0.00 179.24 178.15 2h5g h LEU 411 N 0.47 0.99 -0.57 1.55 3.38 -0.93 -0.89 115.31 119.31 2h5g h LEU 411 Ca 0.13 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2h5g h LEU 411 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2h5g h LEU 411 CO -0.02 0.83 0.07 -0.33 0.09 0.00 0.00 178.44 179.07 2h5g h GLU 412 N 1.07 0.96 0.00 1.13 5.08 -1.00 -0.47 114.58 121.35 2h5g h GLU 412 Ca 0.27 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2h5g h GLU 412 Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2h5g h GLU 412 CO -0.04 0.93 -0.19 0.93 -1.00 0.00 0.00 179.01 179.65 2h5g h GLU 413 N 0.86 0.00 0.05 2.33 5.08 -1.06 -3.17 114.58 118.66 2h5g h GLU 413 Ca 0.17 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.27 2h5g h GLU 413 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2h5g h GLU 413 CO 0.02 0.19 -1.29 0.00 -1.00 0.00 0.00 179.01 176.92 2h5g h ALA 414 N 1.81 0.36 -1.19 3.43 0.00 -0.88 -3.46 119.26 119.34 2h5g h ALA 414 Ca -0.00 -1.05 -0.78 0.00 0.00 0.00 0.00 54.91 53.08 2h5g h ALA 414 Cb 0.91 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2h5g h ALA 414 CO 0.02 1.24 0.93 -1.91 0.00 0.00 0.00 179.25 179.53 2h5g n GLU 415 N -3.35 0.70 -0.29 0.00 4.07 -0.21 -0.95 120.64 120.62 2h5g n GLU 415 Ca -0.08 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 2h5g n GLU 415 Cb 1.00 -1.91 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 2h5g n GLU 415 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2h5g n GLY 416 N 4.69 1.78 0.59 8.31 0.00 -1.26 -4.76 105.19 114.54 2h5g n GLY 416 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2h5g n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h5g n ARG 417 N -2.00 0.00 -2.78 1.61 1.74 -0.21 -5.04 116.66 109.97 2h5g n ARG 417 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 2h5g n ARG 417 Cb 0.00 -0.68 -0.07 0.00 -1.02 0.00 0.00 32.46 30.69 2h5g n ARG 417 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2h5g s LEU 418 N -5.38 4.17 0.29 0.55 2.96 -0.12 -5.03 118.68 116.13 2h5g s LEU 418 Ca 0.00 1.79 -0.29 0.00 -0.22 0.00 0.00 54.13 55.41 2h5g s LEU 418 Cb 0.00 -4.23 -0.10 0.00 0.50 0.00 0.00 46.19 42.36 2h5g s LEU 418 CO 0.00 -0.20 1.22 0.00 -1.32 0.00 0.00 176.35 176.04 2h5g s ALA 419 N -1.84 3.46 0.28 5.97 0.00 -1.26 -4.79 121.76 123.59 2h5g s ALA 419 Ca 0.55 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.61 2h5g s ALA 419 Cb -0.15 -3.42 0.67 0.00 0.00 0.00 0.00 23.12 20.23 2h5g s ALA 419 CO 0.20 -0.43 1.65 0.00 0.00 0.00 0.00 175.76 177.18 2h5g h ALA 420 N 3.81 1.23 -0.73 0.00 0.00 -1.98 -1.39 119.26 120.21 2h5g h ALA 420 Ca -0.47 0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.75 2h5g h ALA 420 Cb 1.22 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 2h5g h ALA 420 CO 0.67 -0.44 0.36 -1.35 0.00 0.00 0.00 179.25 178.49 2h5g h PRO 421 N 0.22 0.58 -0.23 0.00 0.11 -2.01 -0.74 132.00 129.93 2h5g h PRO 421 Ca 0.53 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.46 2h5g h PRO 421 Cb 1.05 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2h5g h PRO 421 CO -0.63 0.38 -0.42 -0.07 -0.21 0.00 0.00 178.00 177.05 2h5g h LEU 422 N 0.59 0.77 -0.84 2.35 3.38 -1.71 -3.28 115.31 116.58 2h5g h LEU 422 Ca 0.37 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2h5g h LEU 422 Cb 0.41 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2h5g h LEU 422 CO -0.29 1.16 0.39 0.25 0.09 0.00 0.00 178.44 180.04 2h5g h LEU 423 N 0.41 1.11 -1.73 1.67 6.46 -0.89 -2.63 115.31 119.70 2h5g h LEU 423 Ca 0.01 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 2h5g h LEU 423 Cb 1.02 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 2h5g h LEU 423 CO 0.09 0.95 0.03 0.50 -0.62 0.00 0.00 178.44 179.39 2h5g h LYS 424 N 1.20 0.20 -0.08 1.25 3.64 -1.20 -1.91 116.57 119.66 2h5g h LYS 424 Ca 0.29 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2h5g h LYS 424 Cb 0.14 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2h5g h LYS 424 CO -0.03 0.19 0.00 0.54 -2.27 0.00 0.00 179.45 177.88 2h5g n ARG 425 N -4.45 1.53 0.02 1.90 1.74 -1.01 -4.23 116.66 112.16 2h5g n ARG 425 Ca -0.01 -0.78 -0.01 0.00 -0.77 0.00 0.00 57.85 56.28 2h5g n ARG 425 Cb 0.13 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 30.06 2h5g n ARG 425 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2h5g n LEU 426 N -0.02 0.81 -4.78 0.55 7.94 -0.72 -2.52 117.00 118.26 2h5g n LEU 426 Ca 0.17 0.36 -0.36 0.00 -1.11 0.00 0.00 56.01 55.07 2h5g n LEU 426 Cb 0.27 0.10 -0.06 0.00 0.53 0.00 0.00 43.42 44.27 2h5g n LEU 426 CO 0.14 0.19 0.68 -0.94 -1.11 0.00 0.00 177.39 176.35 2h5g s SER 427 N -5.79 7.14 -0.16 1.96 1.04 -1.26 -4.65 113.70 111.98 2h5g s SER 427 Ca -0.04 1.89 -0.00 0.00 0.48 0.00 0.00 55.95 58.28 2h5g s SER 427 Cb 0.09 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 2h5g s SER 427 CO 0.82 -0.21 -0.13 -0.76 0.98 0.00 0.00 173.24 173.93 2h5g s LEU 428 N -2.32 2.60 0.30 2.42 1.43 -1.26 -4.90 118.68 116.95 2h5g s LEU 428 Ca 0.53 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 2h5g s LEU 428 Cb -0.19 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 2h5g s LEU 428 CO 0.24 0.09 0.26 -0.94 0.23 0.00 0.00 176.35 176.23 2h5g s SER 429 N 0.79 5.44 0.43 2.29 1.04 -1.26 -4.94 113.70 117.49 2h5g s SER 429 Ca -0.05 -0.36 0.10 0.00 0.48 0.00 0.00 55.95 56.11 2h5g s SER 429 Cb -0.15 -1.19 0.94 0.00 0.10 0.00 0.00 66.02 65.72 2h5g s SER 429 CO 0.01 -0.21 2.05 0.00 0.98 0.00 0.00 173.24 176.07 2h5g h THR 430 N 1.34 1.05 0.07 2.02 1.03 -1.99 -1.72 112.91 114.70 2h5g h THR 430 Ca -0.47 -0.16 -0.00 0.00 -0.01 0.00 0.00 66.41 65.77 2h5g h THR 430 Cb 1.25 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 2h5g h THR 430 CO 0.59 0.08 -0.03 -1.28 -0.01 0.00 0.00 175.52 174.87 2h5g h SER 431 N 0.46 -0.08 -0.28 0.00 0.87 -1.99 -2.02 113.55 110.52 2h5g h SER 431 Ca 0.16 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2h5g h SER 431 Cb 0.08 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2h5g h SER 431 CO -0.04 0.17 0.16 0.50 -0.53 0.00 0.00 176.83 177.09 2h5g h LYS 432 N -0.33 0.38 -0.82 2.24 3.64 -1.85 -1.29 116.57 118.54 2h5g h LYS 432 Ca -0.01 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 2h5g h LYS 432 Cb 0.28 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 2h5g h LYS 432 CO 0.02 0.30 0.53 -0.07 -2.27 0.00 0.00 179.45 177.96 2h5g h LEU 433 N 0.35 0.59 -0.38 5.20 3.38 -1.35 0.38 115.31 123.47 2h5g h LEU 433 Ca 0.10 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2h5g h LEU 433 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2h5g h LEU 433 CO -0.02 0.32 -0.09 0.78 0.09 0.00 0.00 178.44 179.52 2h5g h ASN 434 N 0.63 0.75 -0.59 -0.43 2.35 -0.60 -2.08 115.58 115.61 2h5g h ASN 434 Ca 0.40 -0.36 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 2h5g h ASN 434 Cb 0.65 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 2h5g h ASN 434 CO -0.16 0.94 0.04 0.28 -1.65 0.00 0.00 177.43 176.87 2h5g h SER 435 N 0.55 1.00 -0.03 5.81 0.02 -0.25 -1.07 113.55 119.57 2h5g h SER 435 Ca 0.10 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2h5g h SER 435 Cb 0.61 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2h5g h SER 435 CO 0.04 1.03 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.64 2h5g h LEU 436 N 0.95 -0.14 -0.72 5.07 3.38 -0.90 0.40 115.31 123.35 2h5g h LEU 436 Ca 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2h5g h LEU 436 Cb 0.50 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2h5g h LEU 436 CO 0.02 -0.07 0.42 0.00 0.09 0.00 0.00 178.44 178.91 2h5g h ALA 437 N 0.96 0.92 -0.61 1.53 0.00 -1.26 0.62 119.26 121.43 2h5g h ALA 437 Ca 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2h5g h ALA 437 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2h5g h ALA 437 CO -0.07 0.41 0.11 0.82 0.00 0.00 0.00 179.25 180.52 2h5g h ILE 438 N 0.99 1.26 -0.25 0.00 2.04 -0.84 -2.12 117.51 118.58 2h5g h ILE 438 Ca 0.26 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 2h5g h ILE 438 Cb -0.01 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2h5g h ILE 438 CO -0.05 0.36 0.04 1.23 0.00 0.00 0.00 178.15 179.74 2h5g h GLY 439 N 0.90 0.45 0.72 5.37 0.00 0.66 -2.21 103.07 108.98 2h5g h GLY 439 Ca 0.19 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.28 2h5g h GLY 439 CO 0.01 0.28 0.62 1.41 0.00 0.00 0.00 176.54 178.86 2h5g h LEU 440 N 0.23 0.98 -1.18 3.11 4.07 0.26 -1.64 115.31 121.15 2h5g h LEU 440 Ca 0.08 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 2h5g h LEU 440 Cb 0.32 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 2h5g h LEU 440 CO 0.00 0.62 -0.16 0.03 -1.08 0.00 0.00 178.44 177.86 2h5g h ARG 441 N 1.12 0.37 -0.59 1.13 3.08 -1.13 -0.12 114.38 118.24 2h5g h ARG 441 Ca 0.42 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 2h5g h ARG 441 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2h5g h ARG 441 CO -0.18 0.53 0.16 1.96 -1.07 0.00 0.00 179.97 181.38 2h5g h GLN 442 N 0.35 0.93 0.12 0.04 4.20 -0.72 -0.59 115.11 119.44 2h5g h GLN 442 Ca 0.06 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2h5g h GLN 442 Cb 0.49 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2h5g h GLN 442 CO 0.03 0.85 -0.06 0.82 -0.67 0.00 0.00 178.83 179.80 2h5g h ILE 443 N 0.85 0.91 -0.70 2.54 2.04 -0.99 -2.07 117.51 120.09 2h5g h ILE 443 Ca 0.19 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 66.02 2h5g h ILE 443 Cb 0.32 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 2h5g h ILE 443 CO -0.00 0.03 0.33 0.00 0.00 0.00 0.00 178.15 178.51 2h5g h ALA 444 N 0.65 0.96 0.00 1.87 0.00 -0.88 -2.55 119.26 119.30 2h5g h ALA 444 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2h5g h ALA 444 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2h5g h ALA 444 CO 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.19 2h5g h ALA 445 N 1.44 1.00 -0.13 0.00 0.00 -0.91 -3.32 119.26 117.35 2h5g h ALA 445 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2h5g h ALA 445 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2h5g h ALA 445 CO -0.29 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.83 2h5g n SER 446 N -2.76 2.14 -0.89 0.00 3.41 -0.80 -4.72 113.62 110.01 2h5g n SER 446 Ca 0.04 -1.71 0.08 0.00 -0.26 0.00 0.00 58.87 57.01 2h5g n SER 446 Cb 0.43 -0.08 0.20 0.00 -0.26 0.00 0.00 64.21 64.50 2h5g n SER 446 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2h5g n SER 447 N 0.19 3.17 0.16 4.04 3.41 -1.00 -4.68 113.62 118.92 2h5g n SER 447 Ca 0.06 -1.94 0.03 0.00 -0.26 0.00 0.00 58.87 56.76 2h5g n SER 447 Cb 0.28 -0.27 0.23 0.00 -0.26 0.00 0.00 64.21 64.19 2h5g n SER 447 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2h5g h GLN 448 N 3.05 0.00 -0.64 4.33 4.20 -1.84 -2.83 115.11 121.38 2h5g h GLN 448 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2h5g h GLN 448 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 2h5g h GLN 448 CO 0.00 0.49 0.00 -0.40 -0.67 0.00 0.00 178.83 178.25 2h5g n ASP 449 N -3.55 3.61 -0.03 1.46 5.68 -1.26 -4.67 116.55 117.78 2h5g n ASP 449 Ca -0.00 -2.09 -0.13 0.00 -0.50 0.00 0.00 54.79 52.07 2h5g n ASP 449 Cb 0.59 -0.45 -0.08 0.00 -1.14 0.00 0.00 41.12 40.03 2h5g n ASP 449 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2h5g h SER 450 N 3.72 0.18 -3.49 -1.12 0.02 -1.83 -3.34 113.55 107.69 2h5g h SER 450 Ca 0.00 -0.44 -0.61 0.00 -0.84 0.00 0.00 61.79 59.90 2h5g h SER 450 Cb 0.96 -0.05 -0.12 0.00 0.14 0.00 0.00 62.40 63.32 2h5g h SER 450 CO 0.05 0.59 -0.29 -0.69 -1.14 0.00 0.00 176.83 175.34 2h5g s VAL 451 N -4.43 5.25 0.00 2.27 1.01 -1.26 -3.96 120.40 119.27 2h5g s VAL 451 Ca -0.15 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2h5g s VAL 451 Cb 0.04 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2h5g s VAL 451 CO 0.71 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.71 2h5g n GLY 452 N 3.99 0.66 3.74 4.51 0.00 -0.56 -4.99 105.19 112.54 2h5g n GLY 452 Ca -0.10 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2h5g n GLY 452 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2h5g s ARG 453 N -0.33 4.32 -0.27 1.61 3.52 -1.25 -4.64 118.95 121.90 2h5g s ARG 453 Ca 0.00 2.20 -0.28 0.00 -0.13 0.00 0.00 55.73 57.52 2h5g s ARG 453 Cb 0.00 -3.14 0.01 0.00 -1.56 0.00 0.00 34.95 30.26 2h5g s ARG 453 CO 0.00 -0.35 1.03 0.08 -0.81 0.00 0.00 175.30 175.25 2h5g s VAL 454 N 0.03 4.63 -0.18 7.11 1.01 -1.26 -1.84 120.40 129.91 2h5g s VAL 454 Ca 0.58 1.85 0.02 0.00 0.00 0.00 0.00 61.98 64.43 2h5g s VAL 454 Cb -0.40 -4.33 -0.22 0.00 0.00 0.00 0.00 36.38 31.43 2h5g s VAL 454 CO 0.41 -0.29 0.12 0.18 0.00 0.00 0.00 175.10 175.52 2h5g n LEU 455 N 6.51 2.30 -3.95 3.92 4.77 0.12 -4.95 117.00 125.71 2h5g n LEU 455 Ca 0.11 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 2h5g n LEU 455 Cb 0.47 -0.72 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 2h5g n LEU 455 CO 0.54 0.80 -0.31 -0.13 -1.33 0.00 0.00 177.39 176.96 2h5g s ARG 456 N -2.54 0.36 -0.13 3.23 0.52 -1.15 -4.96 118.95 114.27 2h5g s ARG 456 Ca -0.24 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.37 2h5g s ARG 456 Cb 0.08 0.13 0.06 0.00 0.52 0.00 0.00 34.95 35.74 2h5g s ARG 456 CO 0.71 -0.07 0.17 0.50 0.02 0.00 0.00 175.30 176.64 2h5g s ARG 457 N -1.45 0.09 -0.04 3.54 3.52 -1.26 -0.89 118.95 122.46 2h5g s ARG 457 Ca -0.16 0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 2h5g s ARG 457 Cb -0.09 -0.73 0.02 0.00 -1.56 0.00 0.00 34.95 32.58 2h5g s ARG 457 CO -0.00 -0.45 -0.06 0.99 -0.81 0.00 0.00 175.30 174.97 2h5g s THR 458 N 2.29 0.58 -0.72 4.11 2.01 0.50 -0.71 115.64 123.70 2h5g s THR 458 Ca 0.04 -0.18 -0.25 0.00 0.31 0.00 0.00 61.69 61.60 2h5g s THR 458 Cb -0.14 -0.57 0.05 0.00 0.01 0.00 0.00 72.50 71.85 2h5g s THR 458 CO -0.08 0.22 1.18 -0.60 -0.69 0.00 0.00 174.62 174.64 2h5g s ARG 459 N 0.67 3.18 0.08 4.92 3.52 0.12 0.03 118.95 131.46 2h5g s ARG 459 Ca -0.09 -0.48 -0.19 0.00 -0.13 0.00 0.00 55.73 54.84 2h5g s ARG 459 Cb -0.12 -4.23 -0.09 0.00 -1.56 0.00 0.00 34.95 28.94 2h5g s ARG 459 CO 0.00 -2.04 1.50 0.82 -0.81 0.00 0.00 175.30 174.77 2h5g h ILE 460 N 6.03 1.27 -3.23 4.11 1.08 -1.05 -0.58 117.51 125.13 2h5g h ILE 460 Ca -0.27 -0.94 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 2h5g h ILE 460 Cb 1.06 1.44 -0.06 0.00 -3.07 0.00 0.00 36.82 36.19 2h5g h ILE 460 CO 1.25 0.29 0.12 0.00 -0.69 0.00 0.00 178.15 179.12 2h5g s ALA 461 N -4.90 -0.81 0.18 1.87 0.00 -1.01 0.08 121.76 117.18 2h5g s ALA 461 Ca -0.14 -0.57 -0.33 0.00 0.00 0.00 0.00 51.96 50.92 2h5g s ALA 461 Cb 0.07 0.90 -0.13 0.00 0.00 0.00 0.00 23.12 23.96 2h5g s ALA 461 CO 0.74 -0.97 1.61 1.17 0.00 0.00 0.00 175.76 178.31 2h5g n LYS 462 N -0.45 2.34 -1.33 0.00 4.81 -1.26 -1.27 118.16 120.99 2h5g n LYS 462 Ca -0.04 0.84 -0.11 0.00 -0.87 0.00 0.00 58.31 58.13 2h5g n LYS 462 Cb 0.60 -2.63 -0.05 0.00 0.02 0.00 0.00 35.03 32.98 2h5g n LYS 462 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2h5g n ASN 463 N 3.44 -4.52 -3.62 3.14 3.02 -1.26 -4.97 115.26 110.49 2h5g n ASN 463 Ca 0.16 0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.70 2h5g n ASN 463 Cb 0.31 -3.03 -0.15 0.00 -0.61 0.00 0.00 39.78 36.30 2h5g n ASN 463 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2h5g s LEU 464 N -2.60 1.13 -0.10 3.41 2.96 -0.40 -3.33 118.68 119.75 2h5g s LEU 464 Ca 0.00 -1.33 0.03 0.00 -0.22 0.00 0.00 54.13 52.61 2h5g s LEU 464 Cb 0.00 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.15 2h5g s LEU 464 CO 0.00 -0.42 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.80 2h5g s GLU 465 N 1.93 3.04 0.04 1.98 0.41 -0.82 -0.45 118.70 124.83 2h5g s GLU 465 Ca 0.08 -0.82 0.06 0.00 -0.41 0.00 0.00 54.97 53.89 2h5g s GLU 465 Cb -0.16 -2.38 -0.03 0.00 -1.78 0.00 0.00 34.13 29.77 2h5g s GLU 465 CO -0.30 0.24 -0.16 -1.17 -0.49 0.00 0.00 175.26 173.39 2h5g s LEU 466 N 0.21 2.73 0.02 1.80 2.96 0.10 -1.40 118.68 125.11 2h5g s LEU 466 Ca -0.13 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2h5g s LEU 466 Cb -0.16 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 2h5g s LEU 466 CO 0.07 0.26 -0.03 -1.83 -1.32 0.00 0.00 176.35 173.50 2h5g s GLU 467 N -1.46 0.26 -0.17 1.98 -1.05 -0.23 -0.37 118.70 117.66 2h5g s GLU 467 Ca 0.15 -0.50 -0.03 0.00 -0.15 0.00 0.00 54.97 54.44 2h5g s GLU 467 Cb -0.11 0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.65 2h5g s GLU 467 CO 0.06 -0.04 -0.07 -1.14 0.95 0.00 0.00 175.26 175.02 2h5g s GLN 468 N -1.20 3.46 0.22 -4.83 0.74 -0.07 -0.39 119.66 117.60 2h5g s GLN 468 Ca -0.13 -0.62 0.07 0.00 0.05 0.00 0.00 55.36 54.74 2h5g s GLN 468 Cb -0.08 -2.86 -0.05 0.00 1.10 0.00 0.00 33.01 31.12 2h5g s GLN 468 CO -0.01 0.06 -0.12 0.14 -0.55 0.00 0.00 175.29 174.81 2h5g s VAL 469 N 0.80 1.70 0.26 1.34 -7.23 0.10 0.12 120.40 117.49 2h5g s VAL 469 Ca -0.03 -2.19 -0.22 0.00 -1.81 0.00 0.00 61.98 57.73 2h5g s VAL 469 Cb -0.15 -2.14 -0.09 0.00 0.56 0.00 0.00 36.38 34.56 2h5g s VAL 469 CO 0.01 -0.52 0.81 0.42 -0.31 0.00 0.00 175.10 175.51 2h5g s THR 470 N -2.99 4.43 0.06 5.32 -4.23 -0.77 -0.45 115.64 117.01 2h5g s THR 470 Ca 0.24 1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 62.23 2h5g s THR 470 Cb 0.00 -3.92 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 2h5g s THR 470 CO 0.08 0.19 0.01 0.68 -0.54 0.00 0.00 174.62 175.03 2h5g s VAL 471 N -1.55 0.20 0.67 2.29 -7.23 -0.56 -1.50 120.40 112.72 2h5g s VAL 471 Ca 0.46 -1.73 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 2h5g s VAL 471 Cb -0.17 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.23 2h5g s VAL 471 CO 0.22 -0.90 1.18 -2.84 -0.31 0.00 0.00 175.10 172.45 2h5g s PRO 472 N -3.92 2.57 0.36 4.82 0.02 -1.26 -1.04 135.00 136.55 2h5g s PRO 472 Ca 0.08 1.69 0.03 0.00 0.02 0.00 0.00 61.00 62.83 2h5g s PRO 472 Cb 0.08 -1.89 0.67 0.00 0.02 0.00 0.00 34.50 33.37 2h5g s PRO 472 CO -0.09 -1.48 2.01 0.82 -0.33 0.00 0.00 177.00 177.92 2h5g h ILE 473 N 0.18 1.14 0.00 2.83 2.04 -1.79 -3.41 117.51 118.50 2h5g h ILE 473 Ca -0.48 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2h5g h ILE 473 Cb 1.28 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2h5g h ILE 473 CO 0.53 0.15 0.00 0.61 0.00 0.00 0.00 178.15 179.43 2h5g n GLY 474 N -1.44 1.27 3.00 5.37 0.00 -1.26 -4.87 105.19 107.26 2h5g n GLY 474 Ca 0.07 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 2h5g n GLY 474 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h5g s VAL 475 N 0.00 1.12 -0.03 1.61 1.01 -1.26 -0.48 120.40 122.36 2h5g s VAL 475 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2h5g s VAL 475 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2h5g s VAL 475 CO 0.00 0.36 0.09 -0.76 0.00 0.00 0.00 175.10 174.78 2h5g s LEU 476 N 0.84 3.96 -0.25 3.92 1.43 0.11 -0.76 118.68 127.92 2h5g s LEU 476 Ca -0.11 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2h5g s LEU 476 Cb -0.15 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.89 2h5g s LEU 476 CO 0.02 0.31 -0.06 -0.22 0.23 0.00 0.00 176.35 176.63 2h5g s LEU 477 N -1.52 3.25 -0.35 1.79 2.96 0.14 -0.46 118.68 124.49 2h5g s LEU 477 Ca 0.21 -0.91 -0.13 0.00 -0.22 0.00 0.00 54.13 53.08 2h5g s LEU 477 Cb -0.12 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 2h5g s LEU 477 CO 0.11 -0.14 0.26 -0.69 -1.32 0.00 0.00 176.35 174.58 2h5g s VAL 478 N 1.32 5.27 -0.35 1.68 1.01 -0.27 -0.08 120.40 128.98 2h5g s VAL 478 Ca -0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 2h5g s VAL 478 Cb -0.17 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.49 2h5g s VAL 478 CO -0.04 -0.05 0.14 -0.63 0.00 0.00 0.00 175.10 174.52 2h5g s ILE 479 N 1.77 4.13 -0.05 2.22 1.01 -0.57 -0.24 121.20 129.47 2h5g s ILE 479 Ca 0.07 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.79 2h5g s ILE 479 Cb -0.17 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2h5g s ILE 479 CO 0.11 -0.16 -0.14 0.72 0.00 0.00 0.00 174.94 175.47 2h5g s PHE 480 N 1.48 1.46 0.09 3.97 -0.12 -0.09 -0.09 117.98 124.68 2h5g s PHE 480 Ca 0.00 -0.46 -0.10 0.00 -0.05 0.00 0.00 56.93 56.33 2h5g s PHE 480 Cb -0.19 -1.02 -0.06 0.00 -0.63 0.00 0.00 43.02 41.12 2h5g s PHE 480 CO 0.04 -0.19 0.41 -1.83 -0.05 0.00 0.00 175.22 173.60 2h5g s GLU 481 N 0.31 3.76 3.69 1.99 -1.05 -0.63 -2.91 118.70 123.85 2h5g s GLU 481 Ca -0.08 0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 2h5g s GLU 481 Cb -0.13 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.59 2h5g s GLU 481 CO 0.02 0.55 0.00 0.45 0.95 0.00 0.00 175.26 177.23 2h5g n SER 482 N 0.84 0.00 -3.97 0.83 2.88 -1.26 -4.83 113.62 108.11 2h5g n SER 482 Ca -0.07 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.19 2h5g n SER 482 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2h5g n SER 482 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2h5g n ARG 483 N 14.00 -2.75 0.31 -1.46 1.74 -1.05 -4.75 116.66 122.71 2h5g n ARG 483 Ca 0.00 0.37 0.18 0.00 -0.77 0.00 0.00 57.85 57.63 2h5g n ARG 483 Cb 0.00 -4.32 1.03 0.00 -1.02 0.00 0.00 32.46 28.15 2h5g n ARG 483 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2h5g h PRO 484 N -1.87 0.00 0.00 5.56 0.13 -1.83 -1.39 132.00 132.60 2h5g h PRO 484 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2h5g h PRO 484 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2h5g h PRO 484 CO 0.61 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.77 2h5g h ASP 485 N 0.00 0.00 1.87 1.44 2.03 -1.89 -1.87 116.42 118.01 2h5g h ASP 485 Ca -0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2h5g h ASP 485 Cb 0.01 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2h5g h ASP 485 CO 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 179.24 178.08 2h5g h LEU 487 N 0.00 -0.60 -1.53 0.00 6.46 -1.48 -0.35 115.31 117.81 2h5g h LEU 487 Ca -0.00 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 2h5g h LEU 487 Cb 1.08 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 2h5g h LEU 487 CO 0.01 -0.33 -0.12 1.55 -0.62 0.00 0.00 178.44 178.94 2h5g h PRO 488 N -0.47 0.15 -0.00 5.25 0.13 -1.75 -1.12 132.00 134.19 2h5g h PRO 488 Ca 0.00 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2h5g h PRO 488 Cb 0.45 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 2h5g h PRO 488 CO -0.06 0.28 0.00 1.96 -0.23 0.00 0.00 178.00 179.95 2h5g h GLN 489 N 0.14 0.00 -0.00 0.86 4.20 -1.51 -1.66 115.11 117.15 2h5g h GLN 489 Ca 0.03 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.58 2h5g h GLN 489 Cb 0.31 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2h5g h GLN 489 CO 0.02 0.10 -0.76 -0.39 -0.67 0.00 0.00 178.83 177.12 2h5g h VAL 490 N -0.10 1.54 -0.19 -0.54 -1.51 -0.89 -2.02 116.25 112.55 2h5g h VAL 490 Ca 0.00 -2.60 -0.04 0.00 -1.23 0.00 0.00 66.70 62.83 2h5g h VAL 490 Cb 0.10 2.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 2h5g h VAL 490 CO -0.00 0.74 -0.04 0.00 -1.23 0.00 0.00 177.57 177.05 2h5g h ALA 491 N 1.23 0.27 -0.70 5.19 0.00 -1.21 -0.97 119.26 123.05 2h5g h ALA 491 Ca -0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2h5g h ALA 491 Cb 1.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2h5g h ALA 491 CO 0.10 0.03 0.16 0.00 0.00 0.00 0.00 179.25 179.54 2h5g h ALA 492 N 0.74 0.95 -0.29 0.00 0.00 -1.21 -0.05 119.26 119.40 2h5g h ALA 492 Ca 0.05 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2h5g h ALA 492 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2h5g h ALA 492 CO 0.02 0.67 -0.35 -0.07 0.00 0.00 0.00 179.25 179.52 2h5g h LEU 493 N 1.07 0.68 -0.18 0.00 3.38 -1.33 -0.66 115.31 118.27 2h5g h LEU 493 Ca 0.22 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2h5g h LEU 493 Cb 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2h5g h LEU 493 CO 0.00 0.97 0.06 0.00 0.09 0.00 0.00 178.44 179.56 2h5g h ALA 494 N 1.07 0.24 -0.29 1.53 0.00 -0.77 -2.06 119.26 118.98 2h5g h ALA 494 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2h5g h ALA 494 Cb 0.86 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2h5g h ALA 494 CO 0.07 -0.14 0.13 0.82 0.00 0.00 0.00 179.25 180.13 2h5g h ILE 495 N 0.12 0.96 0.00 0.00 2.04 -0.90 0.06 117.51 119.79 2h5g h ILE 495 Ca 0.06 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2h5g h ILE 495 Cb 0.22 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2h5g h ILE 495 CO -0.00 0.05 -0.15 0.00 0.00 0.00 0.00 178.15 178.04 2h5g h ALA 496 N 1.16 1.58 -0.34 1.87 0.00 -1.06 -2.49 119.26 119.98 2h5g h ALA 496 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2h5g h ALA 496 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2h5g h ALA 496 CO -0.10 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 2h5g n SER 497 N -4.11 3.31 -0.70 0.00 3.41 -0.78 -4.72 113.62 110.03 2h5g n SER 497 Ca -0.02 -1.98 -0.08 0.00 -0.26 0.00 0.00 58.87 56.53 2h5g n SER 497 Cb 0.23 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 2h5g n SER 497 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h5g n GLY 498 N 1.47 0.57 3.89 5.00 0.00 -0.54 -4.22 105.19 111.37 2h5g n GLY 498 Ca 0.19 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 2h5g n GLY 498 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2h5g s ASN 499 N -2.81 6.51 0.53 1.61 0.01 -0.10 -4.22 114.94 116.47 2h5g s ASN 499 Ca 0.00 0.62 -0.16 0.00 -0.71 0.00 0.00 52.86 52.60 2h5g s ASN 499 Cb 0.00 -2.10 -0.07 0.00 0.41 0.00 0.00 41.25 39.49 2h5g s ASN 499 CO 0.00 0.08 1.00 -0.83 -1.51 0.00 0.00 177.10 175.84 2h5g s GLY 500 N -2.29 2.07 -0.04 0.66 0.00 0.36 -4.47 107.32 103.62 2h5g s GLY 500 Ca 0.39 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 45.32 2h5g s GLY 500 CO 0.23 0.51 0.09 -2.27 0.00 0.00 0.00 173.10 171.67 2h5g s LEU 501 N -4.19 1.04 -0.13 0.66 2.96 0.49 -0.72 118.68 118.79 2h5g s LEU 501 Ca 0.60 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 2h5g s LEU 501 Cb -0.11 0.19 -0.02 0.00 0.50 0.00 0.00 46.19 46.75 2h5g s LEU 501 CO 0.33 -0.12 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.39 2h5g s LEU 502 N 0.91 2.98 -0.22 -0.68 1.43 0.39 -0.20 118.68 123.29 2h5g s LEU 502 Ca -0.07 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2h5g s LEU 502 Cb -0.10 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2h5g s LEU 502 CO -0.04 0.20 -0.00 -0.76 0.23 0.00 0.00 176.35 175.97 2h5g s LEU 503 N 0.18 3.12 -0.35 1.79 1.43 0.45 -1.11 118.68 124.19 2h5g s LEU 503 Ca -0.05 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2h5g s LEU 503 Cb -0.14 -1.80 0.10 0.00 0.03 0.00 0.00 46.19 44.37 2h5g s LEU 503 CO 0.04 -0.00 0.07 -0.75 0.23 0.00 0.00 176.35 175.94 2h5g s LYS 504 N 1.38 1.75 0.49 1.70 2.47 0.67 -0.11 119.74 128.09 2h5g s LYS 504 Ca 0.05 -1.78 0.08 0.00 -1.56 0.00 0.00 55.97 52.76 2h5g s LYS 504 Cb -0.15 -3.28 0.03 0.00 -1.46 0.00 0.00 37.83 32.98 2h5g s LYS 504 CO -0.00 -0.92 0.57 0.20 0.16 0.00 0.00 175.35 175.36 2h5g s GLY 505 N 1.18 2.00 0.42 5.54 0.00 -1.26 -0.91 107.32 114.29 2h5g s GLY 505 Ca 0.07 -1.81 -0.00 0.00 0.00 0.00 0.00 44.72 42.98 2h5g s GLY 505 CO -0.06 -1.68 0.64 -0.32 0.00 0.00 0.00 173.10 171.67 2h5g s GLY 506 N -4.39 1.48 0.32 0.20 0.00 -1.15 -4.75 107.32 99.04 2h5g s GLY 506 Ca 0.52 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 44.32 2h5g s GLY 506 CO 0.32 -0.82 1.92 0.50 0.00 0.00 0.00 173.10 175.02 2h5g h LYS 507 N 0.51 0.89 -0.56 2.90 6.56 -1.95 -2.47 116.57 122.45 2h5g h LYS 507 Ca -0.47 -0.05 0.15 0.00 -1.06 0.00 0.00 60.65 59.21 2h5g h LYS 507 Cb 1.24 -0.20 -0.03 0.00 -0.57 0.00 0.00 32.23 32.67 2h5g h LYS 507 CO 0.59 0.59 0.40 1.05 -2.06 0.00 0.00 179.45 180.02 2h5g h GLU 508 N 0.92 0.06 -0.38 3.15 9.09 -1.97 -2.38 114.58 123.07 2h5g h GLU 508 Ca 0.37 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 2h5g h GLU 508 Cb 0.25 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 2h5g h GLU 508 CO -0.14 0.04 0.00 0.00 0.05 0.00 0.00 179.01 178.96 2h5g n ALA 509 N -2.62 2.73 -0.18 1.06 0.00 -0.94 -4.78 120.51 115.78 2h5g n ALA 509 Ca 0.10 -1.71 -0.01 0.00 0.00 0.00 0.00 53.44 51.82 2h5g n ALA 509 Cb 0.59 -0.68 0.08 0.00 0.00 0.00 0.00 19.45 19.44 2h5g n ALA 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h5g h ALA 510 N 2.43 0.58 -0.34 0.00 0.00 -1.42 0.18 119.26 120.69 2h5g h ALA 510 Ca 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2h5g h ALA 510 Cb 1.19 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2h5g h ALA 510 CO 0.15 -0.36 -0.09 0.45 0.00 0.00 0.00 179.25 179.40 2h5g h HIS 511 N 0.17 0.75 0.00 0.00 3.86 -1.85 -0.97 115.15 117.11 2h5g h HIS 511 Ca 0.29 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2h5g h HIS 511 Cb 0.43 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2h5g h HIS 511 CO -0.30 0.84 -0.00 0.77 0.86 0.00 0.00 177.93 180.10 2h5g h SER 512 N 0.45 -0.00 -0.55 2.45 0.02 -1.55 -2.58 113.55 111.79 2h5g h SER 512 Ca 0.09 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2h5g h SER 512 Cb 0.60 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 2h5g h SER 512 CO 0.04 0.20 0.19 0.78 -1.14 0.00 0.00 176.83 176.89 2h5g h ASN 513 N -0.21 0.82 -0.06 3.07 2.35 -0.68 -1.62 115.58 119.25 2h5g h ASN 513 Ca -0.00 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2h5g h ASN 513 Cb 0.21 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2h5g h ASN 513 CO 0.00 0.78 0.01 -0.09 -1.65 0.00 0.00 177.43 176.48 2h5g h ARG 514 N 0.87 0.04 -0.38 0.81 9.65 -1.07 0.14 114.38 124.43 2h5g h ARG 514 Ca 0.20 -0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.95 2h5g h ARG 514 Cb 0.25 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 2h5g h ARG 514 CO -0.01 0.03 -0.24 0.97 2.80 0.00 0.00 179.97 183.52 2h5g h ILE 515 N 0.04 1.28 -0.35 1.20 2.10 -1.29 -0.71 117.51 119.78 2h5g h ILE 515 Ca 0.03 -1.39 -0.07 0.00 1.08 0.00 0.00 64.86 64.50 2h5g h ILE 515 Cb 0.02 1.34 -0.02 0.00 -1.09 0.00 0.00 36.82 37.07 2h5g h ILE 515 CO -0.03 0.46 -0.09 -0.07 -1.08 0.00 0.00 178.15 177.34 2h5g h LEU 516 N 0.65 0.58 -0.45 2.19 3.38 -1.10 -0.53 115.31 120.02 2h5g h LEU 516 Ca 0.08 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2h5g h LEU 516 Cb 0.81 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2h5g h LEU 516 CO 0.07 0.71 -0.05 -0.74 0.09 0.00 0.00 178.44 178.52 2h5g h HIS 517 N 0.55 0.91 -0.27 1.13 2.76 -0.63 -1.69 115.15 117.92 2h5g h HIS 517 Ca 0.10 -0.18 0.04 0.00 -2.20 0.00 0.00 60.37 58.14 2h5g h HIS 517 Cb 0.48 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 2h5g h HIS 517 CO 0.02 0.90 0.02 1.25 -1.30 0.00 0.00 177.93 178.81 2h5g h LEU 518 N 0.67 -0.07 -1.01 0.26 5.85 -0.52 -0.20 115.31 120.28 2h5g h LEU 518 Ca 0.12 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 2h5g h LEU 518 Cb 0.56 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2h5g h LEU 518 CO 0.03 -0.00 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.06 2h5g h LEU 519 N 0.10 0.67 -0.39 2.25 3.38 -1.10 -0.76 115.31 119.46 2h5g h LEU 519 Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2h5g h LEU 519 Cb 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2h5g h LEU 519 CO -0.20 0.74 0.21 0.74 0.09 0.00 0.00 178.44 180.02 2h5g h THR 520 N 0.67 1.15 -0.35 0.22 2.02 -0.75 -1.90 112.91 113.97 2h5g h THR 520 Ca 0.13 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 2h5g h THR 520 Cb 0.41 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2h5g h THR 520 CO 0.02 0.16 -0.09 1.56 0.37 0.00 0.00 175.52 177.53 2h5g h GLN 521 N 0.50 0.59 0.00 6.66 4.20 -0.66 -1.00 115.11 125.40 2h5g h GLN 521 Ca 0.14 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 2h5g h GLN 521 Cb 0.07 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2h5g h GLN 521 CO -0.02 0.68 -0.46 1.05 -0.67 0.00 0.00 178.83 179.41 2h5g h GLU 522 N 0.55 0.00 -0.13 1.46 4.11 -0.90 -1.08 114.58 118.58 2h5g h GLU 522 Ca 0.10 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.49 2h5g h GLU 522 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2h5g h GLU 522 CO 0.03 0.46 -0.10 0.00 0.07 0.00 0.00 179.01 179.47 2h5g h ALA 523 N 1.54 0.19 -0.18 1.06 0.00 -0.93 -3.13 119.26 117.82 2h5g h ALA 523 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2h5g h ALA 523 Cb 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2h5g h ALA 523 CO 0.06 0.02 0.12 -0.07 0.00 0.00 0.00 179.25 179.38 2h5g h LEU 524 N -0.06 0.19 -2.19 0.00 3.38 -1.05 -2.73 115.31 112.86 2h5g h LEU 524 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2h5g h LEU 524 Cb 0.59 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2h5g h LEU 524 CO 0.03 0.14 -0.06 0.28 0.09 0.00 0.00 178.44 178.92 2h5g h SER 525 N 0.23 0.00 0.01 -0.43 0.02 -1.14 -2.08 113.55 110.15 2h5g h SER 525 Ca 0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2h5g h SER 525 Cb -0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 2h5g h SER 525 CO -0.01 0.06 -0.00 0.16 -1.14 0.00 0.00 176.83 175.89 2h5g h ILE 526 N 0.00 0.59 -0.17 3.27 3.07 -1.60 -0.59 117.51 122.08 2h5g h ILE 526 Ca -0.00 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.40 2h5g h ILE 526 Cb 0.14 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 37.70 2h5g h ILE 526 CO 0.01 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.52 2h5g n HIS 527 N -3.93 0.52 -2.32 0.16 8.25 -0.83 -4.99 115.22 112.08 2h5g n HIS 527 Ca -0.03 -0.84 -0.14 0.00 -0.26 0.00 0.00 57.72 56.45 2h5g n HIS 527 Cb 0.09 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 30.98 2h5g n HIS 527 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h5g n GLY 528 N -0.67 -0.18 1.51 -1.41 0.00 -0.23 -4.94 105.19 99.26 2h5g n GLY 528 Ca 0.17 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2h5g n GLY 528 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2h5g n VAL 529 N -4.02 2.27 -0.30 1.61 0.24 -0.93 -4.80 118.33 112.39 2h5g n VAL 529 Ca -0.15 -3.69 0.13 0.00 -2.04 0.00 0.00 64.34 58.59 2h5g n VAL 529 Cb 0.62 -0.62 0.30 0.00 -1.47 0.00 0.00 33.84 32.66 2h5g n VAL 529 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2h5g h LYS 530 N 1.72 0.28 0.00 7.34 1.57 -1.83 -2.33 116.57 123.32 2h5g h LYS 530 Ca 0.19 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2h5g h LYS 530 Cb 1.34 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2h5g h LYS 530 CO 0.43 0.19 0.00 0.93 -0.57 0.00 0.00 179.45 180.42 2h5g h GLU 531 N 0.29 0.00 0.00 3.15 5.08 -1.95 -2.89 114.58 118.27 2h5g h GLU 531 Ca 0.55 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.90 2h5g h GLU 531 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2h5g h GLU 531 CO -0.59 0.00 -0.04 0.00 -1.00 0.00 0.00 179.01 177.38 2h5g h ALA 532 N 2.00 1.52 -3.73 3.43 0.00 -1.66 -3.15 119.26 117.66 2h5g h ALA 532 Ca 0.00 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.23 2h5g h ALA 532 Cb 0.12 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.52 2h5g h ALA 532 CO 0.00 0.05 -0.78 0.08 0.00 0.00 0.00 179.25 178.60 2h5g s VAL 533 N -4.57 1.94 -0.10 0.00 1.01 -1.09 -0.38 120.40 117.21 2h5g s VAL 533 Ca -0.04 -1.64 -0.05 0.00 0.00 0.00 0.00 61.98 60.24 2h5g s VAL 533 Cb 0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2h5g s VAL 533 CO 0.58 -0.19 0.11 -1.10 0.00 0.00 0.00 175.10 174.49 2h5g s GLN 534 N 1.17 3.31 -0.29 2.72 -1.52 0.72 -4.96 119.66 120.82 2h5g s GLN 534 Ca -0.03 -0.23 -0.07 0.00 -1.95 0.00 0.00 55.36 53.07 2h5g s GLN 534 Cb -0.19 -3.07 0.00 0.00 -0.22 0.00 0.00 33.01 29.53 2h5g s GLN 534 CO -0.07 0.75 0.09 -1.17 -0.25 0.00 0.00 175.29 174.64 2h5g s LEU 535 N -1.11 3.82 -0.00 2.90 2.96 -1.26 -0.41 118.68 125.58 2h5g s LEU 535 Ca 0.16 -0.61 -0.27 0.00 -0.22 0.00 0.00 54.13 53.19 2h5g s LEU 535 Cb -0.12 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2h5g s LEU 535 CO 0.05 -0.17 0.84 -0.69 -1.32 0.00 0.00 176.35 175.06 2h5g s VAL 536 N 1.53 4.87 0.30 1.68 1.01 0.84 -4.93 120.40 125.69 2h5g s VAL 536 Ca 0.03 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 63.49 2h5g s VAL 536 Cb -0.17 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.92 2h5g s VAL 536 CO 0.03 0.25 1.49 0.21 0.00 0.00 0.00 175.10 177.08 2h5g s ASN 537 N 0.62 6.50 0.08 3.32 3.84 -1.26 -4.57 114.94 123.48 2h5g s ASN 537 Ca 0.44 2.85 0.10 0.00 0.21 0.00 0.00 52.86 56.46 2h5g s ASN 537 Cb -0.20 -2.64 0.48 0.00 -0.55 0.00 0.00 41.25 38.34 2h5g s ASN 537 CO 0.24 -0.80 1.32 0.41 -2.79 0.00 0.00 177.10 175.48 2h5g n THR 538 N 1.77 1.44 -0.22 -5.21 -1.04 -1.26 -0.97 114.28 108.78 2h5g n THR 538 Ca 0.05 0.45 -0.01 0.00 -2.04 0.00 0.00 64.05 62.50 2h5g n THR 538 Cb 0.39 -1.37 0.10 0.00 -1.82 0.00 0.00 70.33 67.63 2h5g n THR 538 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2h5g h ARG 539 N 0.00 0.60 -6.96 -2.82 3.08 -1.97 -3.44 114.38 102.88 2h5g h ARG 539 Ca 0.00 -0.04 -0.52 0.00 0.07 0.00 0.00 59.98 59.49 2h5g h ARG 539 Cb 0.11 -0.14 0.08 0.00 0.08 0.00 0.00 29.97 30.10 2h5g h ARG 539 CO 0.00 0.40 0.57 -2.00 -1.07 0.00 0.00 179.97 177.87 2h5g s GLU 540 N -6.09 3.91 0.23 0.04 2.56 -0.15 -5.01 118.70 114.19 2h5g s GLU 540 Ca -0.13 2.04 -0.06 0.00 0.00 0.00 0.00 54.97 56.83 2h5g s GLU 540 Cb 0.16 -2.67 -0.06 0.00 2.00 0.00 0.00 34.13 33.57 2h5g s GLU 540 CO 0.76 -0.50 0.50 -1.21 -0.56 0.00 0.00 175.26 174.24 2h5g s GLU 541 N -2.35 3.66 -1.09 4.30 8.01 -1.26 -4.97 118.70 125.01 2h5g s GLU 541 Ca 0.59 0.03 -0.10 0.00 0.01 0.00 0.00 54.97 55.50 2h5g s GLU 541 Cb -0.35 -2.71 -0.07 0.00 -4.31 0.00 0.00 34.13 26.69 2h5g s GLU 541 CO 0.45 0.32 2.28 0.28 0.01 0.00 0.00 175.26 178.59 2h5g n VAL 542 N -0.45 2.82 -3.37 2.63 0.31 -1.26 -5.21 118.33 113.80 2h5g n VAL 542 Ca -0.02 -1.82 0.02 0.00 -0.01 0.00 0.00 64.34 62.51 2h5g n VAL 542 Cb 0.53 -2.30 -0.02 0.00 -0.91 0.00 0.00 33.84 31.14 2h5g n VAL 542 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2h5g s GLU 543 N 3.36 0.54 0.00 5.55 -1.05 -1.26 -5.00 118.70 120.83 2h5g s GLU 543 Ca 0.49 1.14 0.00 0.00 -0.15 0.00 0.00 54.97 56.45 2h5g s GLU 543 Cb 0.13 0.66 0.00 0.00 -0.44 0.00 0.00 34.13 34.48 2h5g s GLU 543 CO -0.02 -0.40 0.00 1.28 0.95 0.00 0.00 175.26 177.07 2h5g n LEU 548 N 5.41 0.00 0.21 1.83 4.32 -1.26 -5.20 117.00 122.31 2h5g n LEU 548 Ca -0.06 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.02 2h5g n LEU 548 Cb 0.50 0.00 0.40 0.00 -1.62 0.00 0.00 43.42 42.70 2h5g n LEU 548 CO -0.01 0.00 0.76 -2.24 -1.22 0.00 0.00 177.39 174.68 2h5g h ASP 549 N 0.00 0.00 0.00 -1.43 3.04 -2.00 -2.72 116.42 113.31 2h5g h ASP 549 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2h5g h ASP 549 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2h5g h ASP 549 CO 0.00 0.26 0.00 0.29 -2.04 0.00 0.00 179.24 177.75 2h5g n LYS 550 N -3.39 0.96 -0.07 4.15 4.01 -1.26 -4.80 118.16 117.76 2h5g n LYS 550 Ca 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.77 2h5g n LYS 550 Cb 0.47 -1.41 -0.00 0.00 -0.51 0.00 0.00 35.03 33.57 2h5g n LYS 550 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2h5g n ILE 552 N -0.05 0.02 0.03 -0.18 -0.00 -1.03 -5.14 119.36 113.01 2h5g n ILE 552 Ca 0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.81 2h5g n ILE 552 Cb 0.20 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.76 2h5g n ILE 552 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2h5g n ASP 553 N 0.08 0.53 -3.69 4.38 8.00 0.06 -4.91 116.55 121.01 2h5g n ASP 553 Ca 0.01 0.22 -0.11 0.00 0.71 0.00 0.00 54.79 55.62 2h5g n ASP 553 Cb 0.01 0.86 -0.10 0.00 -0.02 0.00 0.00 41.12 41.86 2h5g n ASP 553 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2h5g s LEU 554 N -5.25 -0.10 -0.18 0.64 0.20 -1.16 -4.35 118.68 108.47 2h5g s LEU 554 Ca -0.04 1.01 -0.07 0.00 0.69 0.00 0.00 54.13 55.72 2h5g s LEU 554 Cb 0.10 1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 47.44 2h5g s LEU 554 CO 0.83 -0.19 0.04 -0.63 -0.29 0.00 0.00 176.35 176.12 2h5g s ILE 555 N 0.96 4.58 -0.31 6.68 1.01 -0.25 -0.69 121.20 133.18 2h5g s ILE 555 Ca -0.06 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2h5g s ILE 555 Cb -0.06 -3.06 0.09 0.00 0.01 0.00 0.00 42.46 39.44 2h5g s ILE 555 CO -0.08 0.46 0.00 -0.63 0.00 0.00 0.00 174.94 174.69 2h5g s ILE 556 N 0.45 2.18 0.14 2.92 1.01 0.88 -4.23 121.20 124.56 2h5g s ILE 556 Ca 0.02 -2.08 -0.19 0.00 0.00 0.00 0.00 60.65 58.40 2h5g s ILE 556 Cb -0.13 -2.51 -0.07 0.00 0.01 0.00 0.00 42.46 39.76 2h5g s ILE 556 CO 0.01 -0.42 0.64 -2.16 0.00 0.00 0.00 174.94 173.01 2h5g s PRO 557 N 1.00 4.22 -0.27 2.79 0.04 -1.26 -1.51 135.00 140.01 2h5g s PRO 557 Ca 0.05 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 61.84 2h5g s PRO 557 Cb -0.19 -3.08 0.09 0.00 0.04 0.00 0.00 34.50 31.35 2h5g s PRO 557 CO -0.08 0.53 0.10 1.03 0.04 0.00 0.00 177.00 178.62 2h5g s ARG 558 N -1.52 0.45 0.00 4.56 1.81 0.87 -4.87 118.95 120.25 2h5g s ARG 558 Ca 0.35 -0.66 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 2h5g s ARG 558 Cb -0.18 -1.69 0.00 0.00 -0.45 0.00 0.00 34.95 32.63 2h5g s ARG 558 CO 0.21 -0.91 0.00 0.41 -0.68 0.00 0.00 175.30 174.33 2h5g n GLY 559 N 5.07 -0.59 3.81 -3.53 0.00 -1.26 -1.60 105.19 107.08 2h5g n GLY 559 Ca -0.05 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 2h5g n GLY 559 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h5g s SER 560 N -4.00 4.83 0.33 1.61 1.04 -1.26 -4.75 113.70 111.50 2h5g s SER 560 Ca 0.00 1.46 0.06 0.00 0.48 0.00 0.00 55.95 57.95 2h5g s SER 560 Cb 0.00 -2.25 0.73 0.00 0.10 0.00 0.00 66.02 64.60 2h5g s SER 560 CO 0.00 -1.77 1.84 0.28 0.98 0.00 0.00 173.24 174.57 2h5g h SER 561 N -0.95 0.76 0.49 7.02 0.02 -1.92 0.24 113.55 119.21 2h5g h SER 561 Ca -0.46 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 2h5g h SER 561 Cb 1.24 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2h5g h SER 561 CO 0.58 0.37 -0.24 -0.61 -1.14 0.00 0.00 176.83 175.79 2h5g h GLN 562 N 0.79 -0.63 -0.45 3.45 5.75 -1.91 0.13 115.11 122.24 2h5g h GLN 562 Ca 0.49 0.04 0.08 0.00 -0.15 0.00 0.00 58.65 59.11 2h5g h GLN 562 Cb 0.69 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.32 2h5g h GLN 562 CO -0.25 -0.38 0.07 1.25 -2.65 0.00 0.00 178.83 176.87 2h5g h LEU 563 N -0.75 -0.05 -0.77 -2.39 5.85 -1.75 0.47 115.31 115.91 2h5g h LEU 563 Ca -0.07 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2h5g h LEU 563 Cb 0.55 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2h5g h LEU 563 CO 0.11 0.01 0.37 0.58 -0.34 0.00 0.00 178.44 179.17 2h5g h VAL 564 N 0.19 1.25 0.03 1.05 2.07 -0.84 0.63 116.25 120.63 2h5g h VAL 564 Ca 0.22 -0.70 -0.23 0.00 0.82 0.00 0.00 66.70 66.81 2h5g h VAL 564 Cb 0.30 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2h5g h VAL 564 CO -0.31 0.29 -1.01 0.03 0.02 0.00 0.00 177.57 176.60 2h5g h ARG 565 N 1.09 0.36 -0.46 1.57 -0.00 -0.37 -1.67 114.38 114.91 2h5g h ARG 565 Ca 0.26 -0.43 -0.06 0.00 -0.50 0.00 0.00 59.98 59.25 2h5g h ARG 565 Cb 0.13 0.13 -0.02 0.00 0.00 0.00 0.00 29.97 30.21 2h5g h ARG 565 CO -0.03 1.12 0.02 0.38 0.00 0.00 0.00 179.97 181.45 2h5g h ASP 566 N 0.18 0.70 -0.03 7.04 3.04 0.27 -1.93 116.42 125.69 2h5g h ASP 566 Ca -0.09 -0.15 -0.01 0.00 -3.24 0.00 0.00 57.03 53.54 2h5g h ASP 566 Cb 1.66 -0.19 -0.00 0.00 -1.04 0.00 0.00 39.33 39.76 2h5g h ASP 566 CO 0.17 0.76 -0.02 0.40 -2.04 0.00 0.00 179.24 178.51 2h5g h ILE 567 N 0.70 1.37 -1.00 4.15 2.04 -0.87 -1.52 117.51 122.37 2h5g h ILE 567 Ca 0.14 -1.12 0.25 0.00 1.00 0.00 0.00 64.86 65.13 2h5g h ILE 567 Cb 0.40 2.06 -0.07 0.00 -0.74 0.00 0.00 36.82 38.47 2h5g h ILE 567 CO 0.01 0.30 0.66 1.56 0.00 0.00 0.00 178.15 180.69 2h5g h GLN 568 N -0.38 0.31 0.07 2.37 4.20 -1.18 -0.30 115.11 120.21 2h5g h GLN 568 Ca 0.01 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 2h5g h GLN 568 Cb 0.50 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.22 2h5g h GLN 568 CO 0.01 0.21 -0.82 0.87 -0.67 0.00 0.00 178.83 178.42 2h5g h LYS 569 N 0.32 0.43 0.00 1.46 6.56 -1.19 -3.33 116.57 120.82 2h5g h LYS 569 Ca 0.53 -0.56 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2h5g h LYS 569 Cb 1.49 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 33.33 2h5g h LYS 569 CO -0.20 1.21 0.00 0.00 -2.06 0.00 0.00 179.45 178.41 2h5g h ALA 570 N 0.23 1.00 -2.16 3.86 0.00 -0.31 -3.39 119.26 118.50 2h5g h ALA 570 Ca -0.12 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.03 2h5g h ALA 570 Cb 1.56 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 19.13 2h5g h ALA 570 CO 0.16 0.00 0.80 0.00 0.00 0.00 0.00 179.25 180.21 2h5g s ALA 571 N -3.29 4.10 -0.15 0.00 0.00 -0.21 -4.98 121.76 117.23 2h5g s ALA 571 Ca 0.06 -3.38 -0.21 0.00 0.00 0.00 0.00 51.96 48.44 2h5g s ALA 571 Cb 0.08 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 2h5g s ALA 571 CO 0.59 -2.57 0.62 0.21 0.00 0.00 0.00 175.76 174.60 2h5g s LYS 572 N 0.76 4.30 0.00 0.00 2.47 -1.26 -4.32 119.74 121.68 2h5g s LYS 572 Ca 0.33 0.66 0.00 0.00 -1.56 0.00 0.00 55.97 55.40 2h5g s LYS 572 Cb -0.06 -3.52 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 2h5g s LYS 572 CO -0.06 -0.08 0.00 0.41 0.16 0.00 0.00 175.35 175.78 2h5g n GLY 573 N 3.51 2.43 3.69 5.54 0.00 -1.26 -4.86 105.19 114.23 2h5g n GLY 573 Ca -0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2h5g n GLY 573 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h5g s ILE 574 N 0.00 4.83 0.39 -0.61 1.01 -1.26 -5.01 121.20 120.55 2h5g s ILE 574 Ca 0.00 1.95 -0.27 0.00 0.00 0.00 0.00 60.65 62.33 2h5g s ILE 574 Cb 0.00 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 2h5g s ILE 574 CO 0.00 0.05 1.43 -2.65 0.00 0.00 0.00 174.94 173.77 2h5g n PRO 575 N 4.74 2.43 -2.92 2.79 -0.02 -1.26 -4.83 135.00 135.92 2h5g n PRO 575 Ca 0.07 0.86 -0.13 0.00 -2.02 0.00 0.00 63.50 62.27 2h5g n PRO 575 Cb 0.49 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.37 2h5g n PRO 575 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2h5g n VAL 576 N 0.20 0.00 -0.38 -1.45 0.31 -1.26 -1.09 118.33 114.65 2h5g n VAL 576 Ca 0.03 -1.02 0.00 0.00 -0.01 0.00 0.00 64.34 63.34 2h5g n VAL 576 Cb 0.39 0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 2h5g n VAL 576 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2h5g n GLY 578 N 2.21 -0.03 2.94 2.92 0.00 -1.26 -4.98 105.19 106.99 2h5g n GLY 578 Ca -0.06 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 2h5g n GLY 578 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2h5g s HIS 579 N 0.00 -0.02 -2.12 1.61 -3.43 -1.14 -2.40 115.29 107.79 2h5g s HIS 579 Ca 0.00 0.07 0.23 0.00 -0.80 0.00 0.00 55.06 54.56 2h5g s HIS 579 Cb 0.00 -0.00 0.10 0.00 -1.43 0.00 0.00 32.58 31.24 2h5g s HIS 579 CO 0.00 -0.06 1.16 -1.13 -2.00 0.00 0.00 174.74 172.71 2h5g n SER 580 N 2.84 2.04 -3.54 7.38 3.41 -1.26 -4.94 113.62 119.55 2h5g n SER 580 Ca -0.14 -1.51 -0.18 0.00 -0.26 0.00 0.00 58.87 56.78 2h5g n SER 580 Cb 0.59 0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 64.87 2h5g n SER 580 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2h5g s GLU 581 N -2.42 1.03 -0.46 4.33 -1.05 -1.26 -4.49 118.70 114.37 2h5g s GLU 581 Ca 0.20 0.26 0.08 0.00 -0.15 0.00 0.00 54.97 55.36 2h5g s GLU 581 Cb 0.18 0.49 0.26 0.00 -0.44 0.00 0.00 34.13 34.62 2h5g s GLU 581 CO 0.54 -0.31 0.61 0.41 0.95 0.00 0.00 175.26 177.45 2h5g n GLY 582 N 0.99 3.54 3.45 -3.83 0.00 -1.26 -4.84 105.19 103.24 2h5g n GLY 582 Ca -0.19 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 2h5g n GLY 582 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h5g s ILE 583 N -1.75 4.47 -0.02 -0.61 1.01 -1.26 -4.76 121.20 118.27 2h5g s ILE 583 Ca 0.37 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.71 2h5g s ILE 583 Cb 0.18 -4.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 2h5g s ILE 583 CO -0.08 -1.28 -0.14 0.00 0.00 0.00 0.00 174.94 173.44 2h5g n HIS 585 N 2.03 0.00 -3.43 0.00 8.25 -1.21 -1.03 115.22 119.82 2h5g n HIS 585 Ca -0.17 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.31 2h5g n HIS 585 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 2h5g n HIS 585 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2h5g s TYR 587 N 1.10 -1.25 -0.55 4.41 5.04 0.21 -0.89 117.35 125.41 2h5g s TYR 587 Ca 0.00 1.84 -0.20 0.00 -2.44 0.00 0.00 57.07 56.27 2h5g s TYR 587 Cb 0.00 0.63 0.06 0.00 0.35 0.00 0.00 41.96 43.01 2h5g s TYR 587 CO 0.00 -0.65 0.75 0.08 -1.34 0.00 0.00 175.55 174.39 2h5g s VAL 588 N 2.82 4.70 0.63 3.14 1.01 0.93 -0.27 120.40 133.36 2h5g s VAL 588 Ca 0.03 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 2h5g s VAL 588 Cb -0.12 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 2h5g s VAL 588 CO -0.19 -1.01 1.07 -0.62 0.00 0.00 0.00 175.10 174.35 2h5g s ASP 589 N 3.02 5.51 0.54 3.32 2.15 -0.02 -2.30 116.67 128.89 2h5g s ASP 589 Ca 0.18 1.82 0.27 0.00 0.43 0.00 0.00 52.55 55.26 2h5g s ASP 589 Cb -0.18 -2.53 1.44 0.00 -0.30 0.00 0.00 42.92 41.35 2h5g s ASP 589 CO 0.12 -1.36 1.96 0.77 -0.17 0.00 0.00 175.17 176.50 2h5g h SER 590 N 0.09 0.00 -0.44 -0.34 4.64 -1.92 -0.89 113.55 114.70 2h5g h SER 590 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2h5g h SER 590 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2h5g h SER 590 CO 0.56 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.90 2h5g n GLU 591 N -4.24 3.88 -2.09 4.77 -0.58 -1.26 -4.98 120.64 116.15 2h5g n GLU 591 Ca 0.11 -2.35 -0.40 0.00 -0.42 0.00 0.00 57.16 54.10 2h5g n GLU 591 Cb 0.69 -2.06 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 2h5g n GLU 591 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2h5g s ALA 592 N -2.29 3.33 -0.08 0.62 0.00 -0.34 -0.44 121.76 122.57 2h5g s ALA 592 Ca 0.41 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 53.30 2h5g s ALA 592 Cb 0.31 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 2h5g s ALA 592 CO 0.12 -0.75 1.12 0.45 0.00 0.00 0.00 175.76 176.71 2h5g s SER 593 N -0.67 7.13 0.59 0.00 0.15 -1.26 -4.85 113.70 114.79 2h5g s SER 593 Ca 0.54 1.70 0.30 0.00 0.70 0.00 0.00 55.95 59.18 2h5g s SER 593 Cb -0.38 -2.56 1.75 0.00 -1.71 0.00 0.00 66.02 63.12 2h5g s SER 593 CO 0.50 -0.53 2.17 1.62 1.20 0.00 0.00 173.24 178.19 2h5g h VAL 594 N 5.05 0.47 0.00 4.45 3.04 -1.98 -1.43 116.25 125.84 2h5g h VAL 594 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 2h5g h VAL 594 Cb 1.15 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 2h5g h VAL 594 CO 0.87 0.00 0.00 0.44 -1.01 0.00 0.00 177.57 177.87 2h5g h ASP 595 N 0.00 0.00 0.00 3.17 3.32 -2.02 -3.37 116.42 117.52 2h5g h ASP 595 Ca 0.05 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 2h5g h ASP 595 Cb 0.29 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 2h5g h ASP 595 CO -0.00 0.00 -1.68 0.29 -1.72 0.00 0.00 179.24 176.13 2h5g n LYS 596 N -2.89 1.99 -0.00 3.56 5.02 -0.57 -4.78 118.16 120.48 2h5g n LYS 596 Ca 0.03 -0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 2h5g n LYS 596 Cb 0.43 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 2h5g n LYS 596 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2h5g h VAL 597 N 0.00 1.10 -0.04 -0.18 2.07 -1.63 -2.78 116.25 114.80 2h5g h VAL 597 Ca -0.24 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 66.99 2h5g h VAL 597 Cb 1.46 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2h5g h VAL 597 CO 0.01 0.09 -0.00 0.74 0.02 0.00 0.00 177.57 178.43 2h5g h THR 598 N 0.01 0.97 -0.53 2.57 2.02 -1.86 -1.19 112.91 114.89 2h5g h THR 598 Ca 0.03 -0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 2h5g h THR 598 Cb 0.11 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2h5g h THR 598 CO -0.00 0.00 0.17 0.08 0.37 0.00 0.00 175.52 176.14 2h5g h ARG 599 N 0.01 0.79 -0.48 6.66 0.11 -1.86 0.13 114.38 119.73 2h5g h ARG 599 Ca 0.02 -0.13 -0.10 0.00 0.10 0.00 0.00 59.98 59.87 2h5g h ARG 599 Cb 0.02 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 30.95 2h5g h ARG 599 CO -0.03 0.68 -0.08 -0.07 0.10 0.00 0.00 179.97 180.57 2h5g h LEU 600 N 0.77 0.90 -0.12 0.08 3.38 -1.16 -0.98 115.31 118.19 2h5g h LEU 600 Ca 0.18 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 2h5g h LEU 600 Cb 0.21 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.72 2h5g h LEU 600 CO -0.01 1.04 -0.52 0.58 0.09 0.00 0.00 178.44 179.61 2h5g h VAL 601 N 0.76 1.35 -0.32 1.22 2.07 -0.88 -2.04 116.25 118.41 2h5g h VAL 601 Ca 0.13 -1.82 0.06 0.00 0.82 0.00 0.00 66.70 65.89 2h5g h VAL 601 Cb 0.62 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 2h5g h VAL 601 CO 0.04 0.55 -0.07 -0.09 0.02 0.00 0.00 177.57 178.02 2h5g h ARG 602 N 0.19 0.01 -0.15 1.57 2.43 -0.67 -1.75 114.38 116.01 2h5g h ARG 602 Ca -0.03 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2h5g h ARG 602 Cb 1.16 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2h5g h ARG 602 CO 0.11 0.01 -0.10 0.22 -1.51 0.00 0.00 179.97 178.69 2h5g h ASP 603 N 0.01 0.35 -0.91 -3.80 3.58 -1.16 0.28 116.42 114.78 2h5g h ASP 603 Ca 0.15 -0.44 0.07 0.00 0.42 0.00 0.00 57.03 57.24 2h5g h ASP 603 Cb 0.23 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.12 2h5g h ASP 603 CO -0.32 0.72 0.59 0.28 -2.88 0.00 0.00 179.24 177.63 2h5g h SER 604 N -0.01 0.88 0.03 2.28 0.02 -1.24 -2.12 113.55 113.39 2h5g h SER 604 Ca 0.03 0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.65 2h5g h SER 604 Cb 0.60 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2h5g h SER 604 CO 0.03 0.55 -1.91 1.17 -1.14 0.00 0.00 176.83 175.53 2h5g n LYS 605 N -4.50 0.64 -0.02 3.45 3.00 -0.67 -0.68 118.16 119.37 2h5g n LYS 605 Ca 0.14 0.36 0.05 0.00 -0.00 0.00 0.00 58.31 58.87 2h5g n LYS 605 Cb 0.23 -1.65 -0.15 0.00 0.00 0.00 0.00 35.03 33.46 2h5g n LYS 605 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2h5g h GLU 607 N 0.00 0.89 -1.26 0.00 4.22 -1.40 -3.38 114.58 113.65 2h5g h GLU 607 Ca -0.15 -0.05 -0.21 0.00 0.08 0.00 0.00 59.36 59.03 2h5g h GLU 607 Cb 1.36 -0.20 -0.21 0.00 0.50 0.00 0.00 28.75 30.20 2h5g h GLU 607 CO 0.01 0.59 -0.56 -0.47 -2.18 0.00 0.00 179.01 176.39 2h5g s TYR 608 N -6.11 -1.17 0.51 0.92 5.04 -1.26 -5.04 117.35 110.23 2h5g s TYR 608 Ca -0.13 -0.66 0.22 0.00 -2.44 0.00 0.00 57.07 54.05 2h5g s TYR 608 Cb 0.16 0.09 1.30 0.00 0.35 0.00 0.00 41.96 43.86 2h5g s TYR 608 CO 0.77 -1.17 2.01 -1.35 -1.34 0.00 0.00 175.55 174.47 2h5g h PRO 609 N 5.66 0.08 0.00 4.97 0.11 -1.75 -1.04 132.00 140.03 2h5g h PRO 609 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2h5g h PRO 609 Cb 1.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2h5g h PRO 609 CO 0.09 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 177.94 2h5g n ALA 610 N -2.60 2.28 -1.66 -0.75 0.00 -1.26 -3.60 120.51 112.93 2h5g n ALA 610 Ca 0.08 -0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.09 2h5g n ALA 610 Cb 0.49 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.50 2h5g n ALA 610 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h5g n ALA 611 N -1.71 0.76 0.28 0.00 0.00 -0.40 -4.89 120.51 114.55 2h5g n ALA 611 Ca 0.06 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.77 2h5g n ALA 611 Cb 0.40 -2.20 0.83 0.00 0.00 0.00 0.00 19.45 18.48 2h5g n ALA 611 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h5g n ASN 613 N -3.67 3.92 -4.76 0.00 0.23 -1.26 -4.23 115.26 105.49 2h5g n ASN 613 Ca -0.02 -2.26 -0.39 0.00 -0.53 0.00 0.00 54.58 51.37 2h5g n ASN 613 Cb 0.17 -0.45 0.02 0.00 -2.08 0.00 0.00 39.78 37.44 2h5g n ASN 613 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2h5g s ALA 614 N -1.48 3.15 0.23 -2.53 0.00 -0.94 -4.15 121.76 116.04 2h5g s ALA 614 Ca 0.41 1.43 -0.32 0.00 0.00 0.00 0.00 51.96 53.49 2h5g s ALA 614 Cb 0.25 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 2h5g s ALA 614 CO 0.23 -1.22 1.71 -1.17 0.00 0.00 0.00 175.76 175.30 2h5g s LEU 615 N -2.89 4.36 -0.02 0.00 2.96 0.14 -4.31 118.68 118.93 2h5g s LEU 615 Ca 0.63 2.89 0.00 0.00 -0.22 0.00 0.00 54.13 57.44 2h5g s LEU 615 Cb -0.43 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.64 2h5g s LEU 615 CO 0.54 -0.97 -0.02 -0.62 -1.32 0.00 0.00 176.35 173.97 2h5g n GLU 616 N 3.65 0.64 -3.97 1.98 -0.58 -0.20 -4.71 120.64 117.46 2h5g n GLU 616 Ca 0.15 0.01 -0.28 0.00 -0.42 0.00 0.00 57.16 56.61 2h5g n GLU 616 Cb 0.35 -1.04 -0.17 0.00 -0.57 0.00 0.00 31.44 30.01 2h5g n GLU 616 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2h5g s THR 617 N -2.04 1.26 -0.30 2.62 2.01 -0.89 -1.73 115.64 116.57 2h5g s THR 617 Ca -0.03 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 2h5g s THR 617 Cb 0.01 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 2h5g s THR 617 CO 0.05 0.41 0.59 -0.22 -0.69 0.00 0.00 174.62 174.76 2h5g s LEU 618 N 1.59 4.14 -0.23 4.42 2.96 0.14 -4.27 118.68 127.44 2h5g s LEU 618 Ca 0.05 0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 54.26 2h5g s LEU 618 Cb -0.13 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 2h5g s LEU 618 CO -0.09 -0.43 0.15 -0.76 -1.32 0.00 0.00 176.35 173.90 2h5g s LEU 619 N 2.50 4.13 -0.06 -0.68 1.43 -1.26 -0.67 118.68 124.08 2h5g s LEU 619 Ca 0.23 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 2h5g s LEU 619 Cb -0.15 -2.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 2h5g s LEU 619 CO 0.11 0.10 -0.19 -0.63 0.23 0.00 0.00 176.35 175.98 2h5g s ILE 620 N 0.82 1.62 0.28 -0.59 1.01 0.27 -0.05 121.20 124.55 2h5g s ILE 620 Ca 0.07 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 2h5g s ILE 620 Cb -0.13 -1.40 -0.10 0.00 0.01 0.00 0.00 42.46 40.85 2h5g s ILE 620 CO 0.02 0.46 1.33 -2.28 0.00 0.00 0.00 174.94 174.47 2h5g s HIS 621 N 0.19 3.11 0.25 3.97 5.65 -0.97 0.19 115.29 127.68 2h5g s HIS 621 Ca -0.09 1.30 -0.10 0.00 0.25 0.00 0.00 55.06 56.42 2h5g s HIS 621 Cb -0.14 -3.68 0.37 0.00 -1.18 0.00 0.00 32.58 27.95 2h5g s HIS 621 CO 0.04 -1.98 1.59 0.00 -0.65 0.00 0.00 174.74 173.74 2h5g h ARG 622 N 4.23 0.00 0.00 2.88 3.08 -1.71 -1.07 114.38 121.79 2h5g h ARG 622 Ca -0.47 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2h5g h ARG 622 Cb 1.22 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2h5g h ARG 622 CO 0.71 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.36 2h5g n ASP 623 N -5.53 0.00 -0.59 7.04 8.00 -1.26 -2.24 116.55 121.97 2h5g n ASP 623 Ca 0.12 0.44 0.09 0.00 0.71 0.00 0.00 54.79 56.15 2h5g n ASP 623 Cb 0.43 -0.45 0.04 0.00 -0.02 0.00 0.00 41.12 41.12 2h5g n ASP 623 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2h5g n LEU 624 N -1.45 2.18 0.03 0.64 4.77 -0.41 -4.62 117.00 118.15 2h5g n LEU 624 Ca 0.01 -0.88 -0.11 0.00 -0.03 0.00 0.00 56.01 55.00 2h5g n LEU 624 Cb 0.05 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2h5g n LEU 624 CO 0.04 0.39 0.80 -0.07 -1.33 0.00 0.00 177.39 177.22 2h5g h LEU 625 N 2.89 -0.28 -5.46 2.23 -0.00 -1.54 -3.23 115.31 109.92 2h5g h LEU 625 Ca 0.00 0.05 -0.75 0.00 -0.00 0.00 0.00 57.88 57.18 2h5g h LEU 625 Cb 0.71 0.13 -0.24 0.00 -0.00 0.00 0.00 40.66 41.25 2h5g h LEU 625 CO 0.00 -0.14 1.11 0.54 -0.00 0.00 0.00 178.44 179.96 2h5g n ARG 626 N -5.22 3.87 -4.12 1.13 5.12 -1.26 -4.82 116.66 111.35 2h5g n ARG 626 Ca -0.05 -3.79 -0.15 0.00 -1.93 0.00 0.00 57.85 51.93 2h5g n ARG 626 Cb 0.15 -2.36 -0.12 0.00 -1.16 0.00 0.00 32.46 28.97 2h5g n ARG 626 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2h5g s THR 627 N -4.08 0.73 0.34 0.55 -1.32 -1.22 -5.04 115.64 105.59 2h5g s THR 627 Ca 0.48 -1.06 0.02 0.00 -1.21 0.00 0.00 61.69 59.92 2h5g s THR 627 Cb 0.32 -0.74 0.24 0.00 -1.51 0.00 0.00 72.50 70.81 2h5g s THR 627 CO -0.26 -0.27 1.98 -0.65 -2.21 0.00 0.00 174.62 173.21 2h5g h PRO 628 N 4.60 0.84 -0.58 7.08 0.11 -1.92 -2.36 132.00 139.76 2h5g h PRO 628 Ca -0.37 -0.07 0.11 0.00 0.11 0.00 0.00 66.00 65.78 2h5g h PRO 628 Cb 1.20 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 32.04 2h5g h PRO 628 CO 0.42 0.59 0.12 1.25 -0.21 0.00 0.00 178.00 180.16 2h5g h LEU 629 N 0.85 -0.01 -0.38 2.35 6.46 -1.95 -0.39 115.31 122.25 2h5g h LEU 629 Ca 0.22 0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 58.03 2h5g h LEU 629 Cb -0.03 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 2h5g h LEU 629 CO -0.04 0.01 -0.01 0.15 -0.62 0.00 0.00 178.44 177.93 2h5g h PHE 630 N 0.25 0.74 -0.54 1.25 3.57 -1.65 -2.70 116.94 117.85 2h5g h PHE 630 Ca 0.30 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.69 2h5g h PHE 630 Cb 0.44 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2h5g h PHE 630 CO -0.25 0.77 0.35 -0.44 -2.23 0.00 0.00 178.31 176.51 2h5g h ASP 631 N 0.50 0.58 -0.78 0.41 3.32 -1.03 -2.05 116.42 117.36 2h5g h ASP 631 Ca 0.11 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.22 2h5g h ASP 631 Cb 0.48 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 2h5g h ASP 631 CO 0.02 0.41 0.46 1.56 -1.72 0.00 0.00 179.24 179.97 2h5g h GLN 632 N 0.69 0.79 0.23 3.56 4.20 -1.00 0.17 115.11 123.75 2h5g h GLN 632 Ca 0.21 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2h5g h GLN 632 Cb -0.03 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 2h5g h GLN 632 CO -0.07 0.52 -0.21 0.82 -0.67 0.00 0.00 178.83 179.22 2h5g h ILE 633 N 0.81 0.54 -0.01 2.54 2.04 -1.13 -3.25 117.51 119.06 2h5g h ILE 633 Ca 0.36 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.22 2h5g h ILE 633 Cb 0.24 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2h5g h ILE 633 CO -0.20 0.00 0.00 0.16 0.00 0.00 0.00 178.15 178.11 2h5g h ILE 634 N -0.46 1.14 0.00 -0.67 -0.00 -1.01 -0.72 117.51 115.79 2h5g h ILE 634 Ca -0.01 -0.41 0.00 0.00 -0.00 0.00 0.00 64.86 64.44 2h5g h ILE 634 Cb 0.43 1.41 0.00 0.00 -0.00 0.00 0.00 36.82 38.65 2h5g h ILE 634 CO -0.04 0.11 0.00 0.47 -0.00 0.00 0.00 178.15 178.69 2h5g n ASP 635 N -5.00 0.00 0.00 2.16 8.00 0.55 -1.54 116.55 120.72 2h5g n ASP 635 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2h5g n ASP 635 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2h5g n ASP 635 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2h5g n LEU 637 N -0.01 0.00 0.23 0.64 4.77 -0.28 -1.77 117.00 120.57 2h5g n LEU 637 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2h5g n LEU 637 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2h5g n LEU 637 CO 0.00 0.00 0.71 0.08 -1.33 0.00 0.00 177.39 176.85 2h5g h ARG 638 N 0.00 -0.51 -0.82 3.23 0.11 -1.54 -0.94 114.38 113.91 2h5g h ARG 638 Ca 0.00 0.03 0.19 0.00 0.10 0.00 0.00 59.98 60.30 2h5g h ARG 638 Cb 0.00 0.12 -0.15 0.00 1.11 0.00 0.00 29.97 31.05 2h5g h ARG 638 CO 0.00 -0.31 -0.05 0.28 0.10 0.00 0.00 179.97 179.99 2h5g h VAL 639 N -0.58 0.23 -0.00 0.08 2.07 -1.62 -1.42 116.25 115.01 2h5g h VAL 639 Ca -0.05 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2h5g h VAL 639 Cb 0.43 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2h5g h VAL 639 CO 0.09 0.01 0.00 -0.62 0.02 0.00 0.00 177.57 177.07 2h5g n GLU 640 N -5.43 1.01 -3.49 1.57 -0.58 -1.05 -4.92 120.64 107.75 2h5g n GLU 640 Ca 0.15 -0.02 -0.19 0.00 -0.42 0.00 0.00 57.16 56.69 2h5g n GLU 640 Cb 0.51 -1.42 0.08 0.00 -0.57 0.00 0.00 31.44 30.05 2h5g n GLU 640 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2h5g n GLN 641 N -0.90 -6.76 -3.77 3.49 6.02 -0.48 -5.01 117.38 109.97 2h5g n GLN 641 Ca 0.20 0.83 -0.36 0.00 -0.01 0.00 0.00 57.00 57.65 2h5g n GLN 641 Cb 0.10 -5.82 -0.13 0.00 1.02 0.00 0.00 30.24 25.41 2h5g n GLN 641 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2h5g s VAL 642 N -3.37 4.29 -0.05 5.09 1.01 -0.48 -4.82 120.40 122.07 2h5g s VAL 642 Ca 0.13 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 2h5g s VAL 642 Cb -0.06 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2h5g s VAL 642 CO 0.74 0.34 1.21 -0.54 0.00 0.00 0.00 175.10 176.85 2h5g s LYS 643 N 1.59 4.35 -0.14 2.72 3.01 -0.18 -4.63 119.74 126.45 2h5g s LYS 643 Ca 0.06 1.69 -0.15 0.00 -1.01 0.00 0.00 55.97 56.56 2h5g s LYS 643 Cb -0.15 -3.56 -0.05 0.00 -1.01 0.00 0.00 37.83 33.06 2h5g s LYS 643 CO 0.03 -0.45 0.34 0.42 0.51 0.00 0.00 175.35 176.20 2h5g s ILE 644 N 2.23 5.27 -0.31 2.17 1.01 -1.26 -1.24 121.20 129.07 2h5g s ILE 644 Ca 0.56 0.65 -0.04 0.00 0.00 0.00 0.00 60.65 61.82 2h5g s ILE 644 Cb -0.25 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.59 2h5g s ILE 644 CO 0.22 0.39 0.03 -1.00 0.00 0.00 0.00 174.94 174.58 2h5g s HIS 645 N 0.39 3.24 0.45 3.97 3.76 0.59 -4.96 115.29 122.73 2h5g s HIS 645 Ca 0.19 -1.64 -0.21 0.00 -0.15 0.00 0.00 55.06 53.25 2h5g s HIS 645 Cb -0.14 -2.17 -0.10 0.00 1.11 0.00 0.00 32.58 31.29 2h5g s HIS 645 CO 0.06 -0.76 1.00 0.00 -0.85 0.00 0.00 174.74 174.19 2h5g s ALA 646 N 1.32 2.96 0.58 -1.40 0.00 -1.26 -1.08 121.76 122.88 2h5g s ALA 646 Ca -0.03 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2h5g s ALA 646 Cb -0.19 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2h5g s ALA 646 CO 0.00 -0.12 0.84 0.20 0.00 0.00 0.00 175.76 176.69 2h5g s GLY 647 N -2.02 1.69 0.26 0.00 0.00 0.13 -4.20 107.32 103.18 2h5g s GLY 647 Ca 0.64 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 2h5g s GLY 647 CO 0.18 -0.75 1.77 -2.55 0.00 0.00 0.00 173.10 171.75 2h5g h PRO 648 N -0.08 0.62 -0.24 2.90 0.11 -1.98 0.51 132.00 133.84 2h5g h PRO 648 Ca -0.44 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.45 2h5g h PRO 648 Cb 1.28 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2h5g h PRO 648 CO 0.57 0.41 -0.58 -0.22 -0.21 0.00 0.00 178.00 177.97 2h5g h LYS 649 N 0.64 0.76 -0.07 1.05 1.63 -1.94 -2.71 116.57 115.94 2h5g h LYS 649 Ca 0.46 -0.50 -0.14 0.00 -0.85 0.00 0.00 60.65 59.62 2h5g h LYS 649 Cb 0.64 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2h5g h LYS 649 CO -0.35 1.13 -0.59 0.35 -3.45 0.00 0.00 179.45 176.53 2h5g h PHE 650 N 0.58 0.28 -0.84 1.91 -0.00 -1.58 -2.95 116.94 114.34 2h5g h PHE 650 Ca 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.97 57.85 2h5g h PHE 650 Cb 1.17 -0.05 -0.04 0.00 -0.00 0.00 0.00 35.95 37.03 2h5g h PHE 650 CO 0.07 0.76 0.45 0.00 -0.00 0.00 0.00 178.31 179.58 2h5g h ALA 651 N 1.22 1.08 0.00 2.41 0.00 0.03 -3.06 119.26 120.95 2h5g h ALA 651 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2h5g h ALA 651 Cb 1.08 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2h5g h ALA 651 CO 0.09 0.60 -0.02 0.66 0.00 0.00 0.00 179.25 180.59 2h5g h SER 652 N 1.18 0.00 -0.27 0.00 4.64 -1.29 -0.60 113.55 117.21 2h5g h SER 652 Ca 0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 2h5g h SER 652 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2h5g h SER 652 CO -0.05 0.02 0.01 -1.22 -0.87 0.00 0.00 176.83 174.73 2h5g n TYR 653 N -3.97 0.95 -4.86 4.77 4.02 -1.16 -4.93 117.16 111.99 2h5g n TYR 653 Ca -0.03 -0.36 -0.26 0.00 -0.01 0.00 0.00 57.90 57.24 2h5g n TYR 653 Cb 0.10 -0.30 -0.16 0.00 -0.02 0.00 0.00 39.34 38.96 2h5g n TYR 653 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2h5g s LEU 654 N -1.24 1.96 0.54 7.72 1.43 -0.24 -5.06 118.68 123.79 2h5g s LEU 654 Ca 0.24 -0.35 0.26 0.00 -1.03 0.00 0.00 54.13 53.25 2h5g s LEU 654 Cb 0.19 -0.97 1.51 0.00 0.03 0.00 0.00 46.19 46.95 2h5g s LEU 654 CO 0.07 0.18 2.13 0.00 0.23 0.00 0.00 176.35 178.96 2h5g h THR 655 N 5.08 0.66 0.00 5.49 1.03 -1.92 -3.51 112.91 119.74 2h5g h THR 655 Ca -0.34 -0.32 0.00 0.00 -0.01 0.00 0.00 66.41 65.74 2h5g h THR 655 Cb 1.17 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 69.44 2h5g h THR 655 CO 0.48 0.08 0.00 2.22 -0.01 0.00 0.00 175.52 178.29 2h5g n PHE 656 N -3.87 0.00 0.05 0.00 1.16 -1.26 -5.25 117.46 108.29 2h5g n PHE 656 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 2h5g n PHE 656 Cb 0.17 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.04 2h5g n PHE 656 CO 0.00 0.00 0.00 1.55 -1.87 0.00 0.00 176.76 176.44 2h5g n VAL 661 N 0.00 0.00 0.00 1.97 3.14 -1.26 -5.09 118.33 117.09 2h5g n VAL 661 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2h5g n VAL 661 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2h5g n VAL 661 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2h5g n LYS 662 N -2.58 0.00 -3.66 1.45 2.85 -1.26 -5.00 118.16 109.96 2h5g n LYS 662 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2h5g n LYS 662 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 2h5g n LYS 662 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2h5g s SER 663 N 0.00 -0.56 0.00 -5.58 0.15 -1.26 -5.02 113.70 101.42 2h5g s SER 663 Ca 0.00 0.97 0.22 0.00 0.70 0.00 0.00 55.95 57.83 2h5g s SER 663 Cb 0.00 0.97 0.62 0.00 -1.71 0.00 0.00 66.02 65.90 2h5g s SER 663 CO 0.00 -0.29 1.49 0.18 1.20 0.00 0.00 173.24 175.81 2h5g n LEU 664 N 2.31 2.31 -2.68 3.45 4.77 -1.26 -4.21 117.00 121.70 2h5g n LEU 664 Ca -0.15 -0.97 -0.30 0.00 -0.03 0.00 0.00 56.01 54.56 2h5g n LEU 664 Cb 0.56 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2h5g n LEU 664 CO 0.12 0.48 0.48 0.54 -1.33 0.00 0.00 177.39 177.69 2h5g n ARG 665 N 0.75 3.37 -4.83 3.23 1.74 -1.26 -4.83 116.66 114.83 2h5g n ARG 665 Ca 0.17 -4.39 -0.33 0.00 -0.77 0.00 0.00 57.85 52.53 2h5g n ARG 665 Cb 0.43 -2.26 -0.16 0.00 -1.02 0.00 0.00 32.46 29.45 2h5g n ARG 665 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2h5g s THR 666 N -5.25 2.46 -0.43 0.55 2.01 -1.26 -5.08 115.64 108.65 2h5g s THR 666 Ca 0.48 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 2h5g s THR 666 Cb 0.38 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.92 2h5g s THR 666 CO -0.22 0.54 0.35 -0.70 -0.69 0.00 0.00 174.62 173.90 2h5g s GLU 667 N 0.56 3.00 0.10 4.92 2.12 -1.26 -4.86 118.70 123.27 2h5g s GLU 667 Ca -0.11 -1.04 -0.13 0.00 0.36 0.00 0.00 54.97 54.04 2h5g s GLU 667 Cb -0.16 -4.01 -0.13 0.00 0.26 0.00 0.00 34.13 30.09 2h5g s GLU 667 CO 0.04 -0.84 1.34 1.88 -0.54 0.00 0.00 175.26 177.14 2h5g h TYR 668 N 8.68 1.01 -2.16 5.30 -1.99 -1.92 -3.47 116.97 122.42 2h5g h TYR 668 Ca -0.27 -0.40 -0.36 0.00 2.00 0.00 0.00 58.73 59.70 2h5g h TYR 668 Cb 1.12 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 39.62 2h5g h TYR 668 CO 0.59 1.21 -0.43 0.41 -0.00 0.00 0.00 178.16 179.93 2h5g n GLY 669 N 0.51 0.16 0.07 3.88 0.00 -1.26 -4.93 105.19 103.62 2h5g n GLY 669 Ca -0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 2h5g n GLY 669 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2h5g n ASP 670 N -1.33 -0.04 -3.06 1.61 5.68 -1.24 -3.99 116.55 114.18 2h5g n ASP 670 Ca -0.21 -1.03 -0.30 0.00 -0.50 0.00 0.00 54.79 52.75 2h5g n ASP 670 Cb 0.65 0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.65 2h5g n ASP 670 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2h5g n LEU 671 N 0.00 7.11 -4.14 -2.12 4.77 -1.26 -4.79 117.00 116.57 2h5g n LEU 671 Ca -0.00 -3.74 -0.15 0.00 -0.03 0.00 0.00 56.01 52.09 2h5g n LEU 671 Cb 0.01 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 39.60 2h5g n LEU 671 CO 0.01 1.61 -0.42 -1.61 -1.33 0.00 0.00 177.39 175.64 2h5g s GLU 672 N 2.32 0.73 -0.19 3.23 2.02 -1.26 -1.01 118.70 124.54 2h5g s GLU 672 Ca 0.60 -0.96 -0.11 0.00 0.02 0.00 0.00 54.97 54.52 2h5g s GLU 672 Cb 0.18 -0.54 0.06 0.00 0.10 0.00 0.00 34.13 33.93 2h5g s GLU 672 CO -0.04 0.10 0.46 -1.17 0.02 0.00 0.00 175.26 174.63 2h5g s LEU 673 N -1.94 -0.23 -0.15 1.80 2.96 -0.38 -4.83 118.68 115.91 2h5g s LEU 673 Ca -0.02 1.01 -0.25 0.00 -0.22 0.00 0.00 54.13 54.65 2h5g s LEU 673 Cb -0.07 1.55 -0.02 0.00 0.50 0.00 0.00 46.19 48.14 2h5g s LEU 673 CO 0.01 -0.20 0.81 0.00 -1.32 0.00 0.00 176.35 175.65 2h5g s ILE 675 N 1.89 4.47 0.06 0.00 1.01 -0.24 0.27 121.20 128.67 2h5g s ILE 675 Ca 0.38 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.96 2h5g s ILE 675 Cb -0.17 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2h5g s ILE 675 CO 0.14 0.30 -0.21 -0.70 0.00 0.00 0.00 174.94 174.47 2h5g s GLU 676 N 1.64 1.30 0.20 2.79 2.56 0.16 -0.69 118.70 126.65 2h5g s GLU 676 Ca 0.06 -1.01 -0.14 0.00 0.00 0.00 0.00 54.97 53.89 2h5g s GLU 676 Cb -0.15 -1.46 -0.07 0.00 2.00 0.00 0.00 34.13 34.44 2h5g s GLU 676 CO 0.05 0.36 0.59 0.08 -0.56 0.00 0.00 175.26 175.79 2h5g s VAL 677 N -0.91 4.82 0.22 3.70 1.01 -1.26 -0.56 120.40 127.42 2h5g s VAL 677 Ca 0.07 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.87 2h5g s VAL 677 Cb -0.09 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2h5g s VAL 677 CO 0.03 0.10 0.05 0.68 0.00 0.00 0.00 175.10 175.96 2h5g s VAL 678 N -1.63 0.64 -0.02 2.92 -7.23 0.13 -4.67 120.40 110.53 2h5g s VAL 678 Ca 0.43 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 2h5g s VAL 678 Cb -0.14 -2.42 -0.24 0.00 0.56 0.00 0.00 36.38 34.14 2h5g s VAL 678 CO 0.20 -0.21 0.75 0.44 -0.31 0.00 0.00 175.10 175.97 2h5g h ASP 679 N 2.51 0.17 -5.45 4.85 3.32 -1.93 -2.49 116.42 117.39 2h5g h ASP 679 Ca -0.38 -0.29 0.19 0.00 0.02 0.00 0.00 57.03 56.58 2h5g h ASP 679 Cb 1.23 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.67 2h5g h ASP 679 CO 0.62 1.25 0.60 0.54 -1.72 0.00 0.00 179.24 180.53 2h5g s ASN 680 N -6.55 -0.05 0.25 6.45 2.20 -1.26 -4.65 114.94 111.34 2h5g s ASN 680 Ca -0.08 -0.53 -0.03 0.00 -0.94 0.00 0.00 52.86 51.28 2h5g s ASN 680 Cb 0.08 0.45 0.48 0.00 -2.00 0.00 0.00 41.25 40.25 2h5g s ASN 680 CO 0.82 -0.87 1.75 0.58 -2.94 0.00 0.00 177.10 176.45 2h5g h VAL 681 N 2.00 0.71 -0.58 3.54 2.07 -1.99 -1.42 116.25 120.59 2h5g h VAL 681 Ca -0.27 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2h5g h VAL 681 Cb 1.22 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2h5g h VAL 681 CO 0.32 0.10 0.35 -0.61 0.02 0.00 0.00 177.57 177.75 2h5g h GLN 682 N 0.54 0.78 -0.27 1.57 5.75 -1.99 0.95 115.11 122.44 2h5g h GLN 682 Ca 0.43 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.89 2h5g h GLN 682 Cb 0.61 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 2h5g h GLN 682 CO -0.37 0.55 0.07 0.22 -2.65 0.00 0.00 178.83 176.65 2h5g h ASP 683 N 0.78 0.04 0.02 -0.69 3.58 -1.79 0.14 116.42 118.49 2h5g h ASP 683 Ca 0.21 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.72 2h5g h ASP 683 Cb -0.03 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 2h5g h ASP 683 CO -0.04 0.06 -0.25 0.00 -2.88 0.00 0.00 179.24 176.13 2h5g h ALA 684 N 1.19 -0.35 -0.30 -0.78 0.00 -0.73 0.65 119.26 118.93 2h5g h ALA 684 Ca 0.12 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2h5g h ALA 684 Cb 0.11 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2h5g h ALA 684 CO -0.15 -0.76 -0.01 0.82 0.00 0.00 0.00 179.25 179.15 2h5g h ILE 685 N -0.40 0.77 -0.55 0.00 2.04 -0.52 0.05 117.51 118.90 2h5g h ILE 685 Ca 0.06 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.94 2h5g h ILE 685 Cb 0.47 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 2h5g h ILE 685 CO -0.21 0.01 0.30 0.44 0.00 0.00 0.00 178.15 178.69 2h5g h ASP 686 N 0.08 0.45 -0.25 1.72 3.32 -0.50 -0.89 116.42 120.33 2h5g h ASP 686 Ca 0.14 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2h5g h ASP 686 Cb 0.20 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2h5g h ASP 686 CO -0.25 0.30 0.15 -0.74 -1.72 0.00 0.00 179.24 176.99 2h5g h HIS 687 N 0.58 0.33 -0.82 4.55 2.76 -0.32 -0.30 115.15 121.93 2h5g h HIS 687 Ca 0.24 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.43 2h5g h HIS 687 Cb 0.12 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 2h5g h HIS 687 CO -0.09 0.25 0.53 0.82 -1.30 0.00 0.00 177.93 178.15 2h5g h ILE 688 N 0.32 1.16 -0.37 6.26 2.04 -0.58 0.10 117.51 126.43 2h5g h ILE 688 Ca 0.09 -0.36 -0.15 0.00 1.00 0.00 0.00 64.86 65.43 2h5g h ILE 688 Cb 0.01 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 2h5g h ILE 688 CO -0.02 0.19 -0.37 0.45 0.00 0.00 0.00 178.15 178.41 2h5g h HIS 689 N 1.06 1.09 -0.26 1.37 3.86 -0.91 0.74 115.15 122.09 2h5g h HIS 689 Ca 0.32 -0.32 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 2h5g h HIS 689 Cb -0.05 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 2h5g h HIS 689 CO -0.02 1.14 0.01 -0.22 0.86 0.00 0.00 177.93 179.70 2h5g h LYS 690 N 0.72 0.45 0.00 2.45 3.64 -0.69 -3.38 116.57 119.77 2h5g h LYS 690 Ca 0.06 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2h5g h LYS 690 Cb 0.96 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2h5g h LYS 690 CO 0.09 0.61 -1.68 0.66 -2.27 0.00 0.00 179.45 176.85 2h5g n TYR 691 N -4.63 0.00 -1.72 1.91 4.01 -0.01 -5.04 117.16 111.68 2h5g n TYR 691 Ca -0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.42 2h5g n TYR 691 Cb 0.24 -0.38 0.11 0.00 -0.31 0.00 0.00 39.34 39.00 2h5g n TYR 691 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2h5g s GLY 692 N -3.79 1.58 -0.08 2.72 0.00 0.25 -4.64 107.32 103.36 2h5g s GLY 692 Ca -0.05 -0.59 0.17 0.00 0.00 0.00 0.00 44.72 44.25 2h5g s GLY 692 CO 0.57 -0.06 1.50 -1.14 0.00 0.00 0.00 173.10 173.97 2h5g n SER 693 N -3.54 4.12 -2.84 1.64 3.41 -1.05 -4.95 113.62 110.41 2h5g n SER 693 Ca 0.07 -2.36 -0.22 0.00 -0.26 0.00 0.00 58.87 56.10 2h5g n SER 693 Cb 0.60 -0.48 0.03 0.00 -0.26 0.00 0.00 64.21 64.10 2h5g n SER 693 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2h5g n SER 694 N 0.84 -6.06 0.00 4.04 2.88 -1.26 -4.93 113.62 109.13 2h5g n SER 694 Ca 0.22 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2h5g n SER 694 Cb 0.75 -4.91 0.00 0.00 -0.75 0.00 0.00 64.21 59.30 2h5g n SER 694 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2h5g n HIS 695 N -4.41 0.00 -4.23 0.66 -0.00 -1.26 -1.72 115.22 104.25 2h5g n HIS 695 Ca -0.14 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.34 2h5g n HIS 695 Cb 0.63 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.46 2h5g n HIS 695 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2h5g s THR 696 N 0.00 0.87 -0.00 3.57 2.01 -1.26 -1.25 115.64 119.58 2h5g s THR 696 Ca 0.00 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 2h5g s THR 696 Cb 0.00 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 2h5g s THR 696 CO 0.00 0.31 0.02 -1.81 -0.69 0.00 0.00 174.62 172.45 2h5g s ASP 697 N 1.09 0.03 0.02 3.53 1.01 -0.53 -3.35 116.67 118.48 2h5g s ASP 697 Ca -0.07 -0.07 0.04 0.00 0.71 0.00 0.00 52.55 53.15 2h5g s ASP 697 Cb -0.14 0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.84 2h5g s ASP 697 CO -0.01 -0.08 -0.12 -0.69 0.21 0.00 0.00 175.17 174.48 2h5g s VAL 698 N -0.34 0.91 -0.12 -1.27 1.01 -0.07 -1.71 120.40 118.81 2h5g s VAL 698 Ca -0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2h5g s VAL 698 Cb -0.02 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2h5g s VAL 698 CO -0.00 0.04 -0.07 -0.51 0.00 0.00 0.00 175.10 174.57 2h5g s ILE 699 N -0.67 3.67 -0.28 2.22 2.07 -0.58 0.66 121.20 128.29 2h5g s ILE 699 Ca 0.01 -0.46 -0.07 0.00 -1.41 0.00 0.00 60.65 58.73 2h5g s ILE 699 Cb -0.06 -2.56 0.00 0.00 0.13 0.00 0.00 42.46 39.97 2h5g s ILE 699 CO 0.01 0.54 0.07 -0.69 -1.91 0.00 0.00 174.94 172.96 2h5g s VAL 700 N -0.09 3.99 -0.04 4.00 1.01 0.63 -1.34 120.40 128.57 2h5g s VAL 700 Ca 0.01 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 2h5g s VAL 700 Cb -0.13 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.33 2h5g s VAL 700 CO 0.03 0.14 0.82 0.28 0.00 0.00 0.00 175.10 176.37 2h5g s THR 701 N 1.52 0.00 -0.70 3.92 -1.32 -1.26 -0.84 115.64 116.96 2h5g s THR 701 Ca 0.03 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.74 2h5g s THR 701 Cb -0.17 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.63 2h5g s THR 701 CO 0.02 0.00 0.91 -0.62 -2.21 0.00 0.00 174.62 172.72 2h5g n GLU 702 N 0.32 0.21 -2.64 7.08 -0.58 0.42 -4.84 120.64 120.62 2h5g n GLU 702 Ca -0.13 -0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.15 2h5g n GLU 702 Cb 0.60 -1.53 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 2h5g n GLU 702 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2h5g s ASP 703 N -3.58 6.43 0.22 1.62 2.15 -1.26 -4.92 116.67 117.32 2h5g s ASP 703 Ca 0.04 0.02 -0.08 0.00 0.43 0.00 0.00 52.55 52.96 2h5g s ASP 703 Cb 0.15 -2.53 0.28 0.00 -0.30 0.00 0.00 42.92 40.53 2h5g s ASP 703 CO 0.84 -1.42 1.79 -0.08 -0.17 0.00 0.00 175.17 176.13 2h5g h GLU 704 N 9.49 0.63 -0.63 4.34 4.81 -1.99 -1.30 114.58 129.92 2h5g h GLU 704 Ca -0.25 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2h5g h GLU 704 Cb 1.06 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 2h5g h GLU 704 CO 1.16 0.42 0.39 -0.91 -0.73 0.00 0.00 179.01 179.34 2h5g h ASN 705 N 0.65 0.65 -0.11 1.04 2.35 -1.99 -0.29 115.58 117.87 2h5g h ASN 705 Ca 0.32 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 2h5g h ASN 705 Cb 0.27 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 2h5g h ASN 705 CO -0.22 0.46 0.04 0.74 -1.65 0.00 0.00 177.43 176.80 2h5g h THR 706 N 0.78 1.15 -0.44 2.81 2.02 -1.85 -1.82 112.91 115.56 2h5g h THR 706 Ca 0.25 -0.46 0.06 0.00 0.77 0.00 0.00 66.41 67.03 2h5g h THR 706 Cb -0.00 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 2h5g h THR 706 CO -0.09 0.14 0.13 0.00 0.37 0.00 0.00 175.52 176.06 2h5g h ALA 707 N 0.88 0.52 -0.12 6.16 0.00 -0.99 -1.15 119.26 124.56 2h5g h ALA 707 Ca 0.04 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2h5g h ALA 707 Cb 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2h5g h ALA 707 CO -0.00 -0.26 -0.39 0.93 0.00 0.00 0.00 179.25 179.52 2h5g h GLU 708 N 0.29 0.25 0.13 0.00 4.39 -1.00 -0.25 114.58 118.38 2h5g h GLU 708 Ca 0.21 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2h5g h GLU 708 Cb 0.23 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2h5g h GLU 708 CO -0.24 0.61 -0.06 0.35 -1.16 0.00 0.00 179.01 178.51 2h5g h PHE 709 N 0.21 -0.16 -0.54 4.33 3.57 -0.51 -1.40 116.94 122.44 2h5g h PHE 709 Ca 0.02 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2h5g h PHE 709 Cb 0.80 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 2h5g h PHE 709 CO 0.01 -0.05 0.32 0.35 -2.23 0.00 0.00 178.31 176.71 2h5g h PHE 710 N -0.23 0.59 -0.76 0.41 3.57 -1.01 -1.26 116.94 118.25 2h5g h PHE 710 Ca -0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2h5g h PHE 710 Cb 0.18 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2h5g h PHE 710 CO -0.05 0.33 0.45 -0.07 -2.23 0.00 0.00 178.31 176.74 2h5g h LEU 711 N 0.63 0.92 -0.12 0.59 4.07 -0.94 -0.83 115.31 119.64 2h5g h LEU 711 Ca 0.22 -0.06 -0.23 0.00 0.08 0.00 0.00 57.88 57.89 2h5g h LEU 711 Cb 0.04 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.55 2h5g h LEU 711 CO -0.11 0.71 -1.00 -0.61 -1.08 0.00 0.00 178.44 176.35 2h5g h GLN 712 N 1.05 0.36 0.00 1.13 5.75 -0.96 -3.37 115.11 119.08 2h5g h GLN 712 Ca 0.27 -0.43 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 2h5g h GLN 712 Cb -0.03 0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2h5g h GLN 712 CO -0.05 1.12 -1.75 0.72 -2.65 0.00 0.00 178.83 176.21 2h5g n HIS 713 N -3.69 0.09 -2.58 3.99 8.25 -0.50 -4.84 115.22 115.93 2h5g n HIS 713 Ca -0.07 0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 2h5g n HIS 713 Cb 0.87 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 2h5g n HIS 713 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2h5g s VAL 714 N -3.43 4.52 -1.16 1.59 1.01 -0.34 -4.94 120.40 117.65 2h5g s VAL 714 Ca -0.05 1.81 0.11 0.00 0.00 0.00 0.00 61.98 63.85 2h5g s VAL 714 Cb 0.14 -4.16 0.46 0.00 0.00 0.00 0.00 36.38 32.82 2h5g s VAL 714 CO 0.89 0.03 1.30 0.47 0.00 0.00 0.00 175.10 177.79 2h5g n ASP 715 N 4.87 3.30 -4.80 3.32 8.00 -1.26 -4.94 116.55 125.04 2h5g n ASP 715 Ca 0.09 -2.33 -0.31 0.00 0.71 0.00 0.00 54.79 52.95 2h5g n ASP 715 Cb 0.48 -0.48 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 2h5g n ASP 715 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2h5g s SER 716 N -0.70 5.23 0.27 -2.24 0.01 -1.26 -4.93 113.70 110.07 2h5g s SER 716 Ca 0.32 1.73 -0.01 0.00 1.31 0.00 0.00 55.95 59.30 2h5g s SER 716 Cb 0.22 -2.51 0.49 0.00 0.21 0.00 0.00 66.02 64.42 2h5g s SER 716 CO 0.14 -1.55 1.82 0.00 0.41 0.00 0.00 173.24 174.07 2h5g h ALA 717 N -0.55 1.37 -3.18 1.44 0.00 -1.34 -3.41 119.26 113.59 2h5g h ALA 717 Ca -0.44 0.03 -0.56 0.00 0.00 0.00 0.00 54.91 53.93 2h5g h ALA 717 Cb 1.22 -0.17 -0.36 0.00 0.00 0.00 0.00 17.79 18.48 2h5g h ALA 717 CO 0.55 0.17 -0.82 0.00 0.00 0.00 0.00 179.25 179.15 2h5g s VAL 719 N 1.45 1.66 0.17 0.00 1.01 -1.26 -1.45 120.40 121.98 2h5g s VAL 719 Ca 0.02 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.37 2h5g s VAL 719 Cb -0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2h5g s VAL 719 CO -0.08 0.47 -0.15 -0.36 0.00 0.00 0.00 175.10 174.99 2h5g s PHE 720 N 1.06 2.54 -0.19 5.22 0.08 -0.69 -5.00 117.98 121.00 2h5g s PHE 720 Ca -0.04 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 56.76 2h5g s PHE 720 Cb -0.15 -1.27 0.03 0.00 -0.57 0.00 0.00 43.02 41.07 2h5g s PHE 720 CO -0.04 0.48 -0.14 -0.46 -0.10 0.00 0.00 175.22 174.96 2h5g s TRP 721 N -1.57 2.56 -1.37 0.36 -0.00 -1.26 -1.53 118.94 116.13 2h5g s TRP 721 Ca 0.22 -1.62 -0.09 0.00 -0.00 0.00 0.00 56.10 54.61 2h5g s TRP 721 Cb -0.09 -1.74 0.02 0.00 -0.00 0.00 0.00 33.47 31.66 2h5g s TRP 721 CO 0.13 -0.76 1.18 0.09 -0.00 0.00 0.00 176.95 177.58 2h5g n ASN 722 N 4.65 -6.28 -3.87 5.86 3.02 -0.45 -4.99 115.26 113.20 2h5g n ASN 722 Ca -0.17 -0.56 -0.11 0.00 -0.03 0.00 0.00 54.58 53.71 2h5g n ASN 722 Cb 0.48 -4.96 -0.11 0.00 -0.61 0.00 0.00 39.78 34.58 2h5g n ASN 722 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h5g s ALA 723 N -3.32 -0.30 0.60 5.41 0.00 -1.26 -5.12 121.76 117.77 2h5g s ALA 723 Ca 0.59 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 2h5g s ALA 723 Cb -0.26 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2h5g s ALA 723 CO 0.74 -0.17 1.28 0.45 0.00 0.00 0.00 175.76 178.05 2h5g n SER 724 N 1.83 2.15 0.29 0.00 2.88 -1.26 -4.88 113.62 114.62 2h5g n SER 724 Ca -0.20 0.89 0.18 0.00 -1.33 0.00 0.00 58.87 58.41 2h5g n SER 724 Cb 0.56 -1.54 0.93 0.00 -0.75 0.00 0.00 64.21 63.41 2h5g n SER 724 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2h5g h THR 725 N 0.89 0.16 0.00 2.46 1.35 -1.87 -2.89 112.91 113.02 2h5g h THR 725 Ca -0.51 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2h5g h THR 725 Cb 1.33 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2h5g h THR 725 CO 0.54 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.35 2h5g n ARG 726 N -3.25 0.10 0.26 4.72 5.12 -1.26 -3.30 116.66 119.04 2h5g n ARG 726 Ca -0.01 0.10 0.16 0.00 -1.93 0.00 0.00 57.85 56.18 2h5g n ARG 726 Cb 0.29 -1.50 0.63 0.00 -1.16 0.00 0.00 32.46 30.72 2h5g n ARG 726 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2h5g h PHE 727 N 0.00 0.00 -2.01 -1.55 0.04 -1.87 -3.42 116.94 108.13 2h5g h PHE 727 Ca 0.00 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.27 2h5g h PHE 727 Cb 0.34 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 2h5g h PHE 727 CO 0.00 0.00 1.37 -1.54 -0.60 0.00 0.00 178.31 177.54 2h5g s SER 728 N -5.58 5.26 -0.25 2.17 1.04 -1.21 -4.50 113.70 110.63 2h5g s SER 728 Ca 0.02 0.45 -0.26 0.00 0.48 0.00 0.00 55.95 56.64 2h5g s SER 728 Cb 0.09 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.81 2h5g s SER 728 CO 0.54 -2.36 1.05 -0.62 0.98 0.00 0.00 173.24 172.83 2h5g s ASP 729 N 8.21 -0.40 0.10 7.02 2.15 -1.26 -4.95 116.67 127.54 2h5g s ASP 729 Ca 0.70 0.71 -0.21 0.00 0.43 0.00 0.00 52.55 54.18 2h5g s ASP 729 Cb -0.13 0.69 -0.10 0.00 -0.30 0.00 0.00 42.92 43.08 2h5g s ASP 729 CO 0.22 -0.19 1.71 1.23 -0.17 0.00 0.00 175.17 177.97 2h5g h GLY 730 N 3.74 0.22 1.00 2.66 0.00 -1.88 -0.90 103.07 107.90 2h5g h GLY 730 Ca -0.26 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2h5g h GLY 730 CO 0.16 0.09 0.10 -1.82 0.00 0.00 0.00 176.54 175.07 2h5g h TYR 731 N 0.15 0.18 -0.41 5.60 3.20 -1.77 0.01 116.97 123.93 2h5g h TYR 731 Ca 0.05 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.96 2h5g h TYR 731 Cb 0.05 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2h5g h TYR 731 CO -0.05 0.12 0.28 0.00 -1.64 0.00 0.00 178.16 176.86 2h5g h ARG 732 N 0.20 0.44 0.00 1.82 3.08 -1.80 -1.81 114.38 116.31 2h5g h ARG 732 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2h5g h ARG 732 Cb -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2h5g h ARG 732 CO -0.01 0.29 0.00 1.19 -1.07 0.00 0.00 179.97 180.37 2h5g n PHE 733 N -4.48 0.00 -0.71 3.04 3.01 -0.36 -4.90 117.46 113.07 2h5g n PHE 733 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 2h5g n PHE 733 Cb 0.15 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 2h5g n PHE 733 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2h5g n GLY 734 N 1.04 0.58 0.36 1.37 0.00 -0.68 -4.94 105.19 102.93 2h5g n GLY 734 Ca 0.20 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.79 2h5g n GLY 734 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h5g n LEU 735 N 0.00 1.28 0.00 0.99 4.77 -0.05 -4.95 117.00 119.04 2h5g n LEU 735 Ca 0.00 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2h5g n LEU 735 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2h5g n LEU 735 CO 0.00 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2h5g n GLY 736 N 1.28 1.36 3.89 -0.72 0.00 -1.24 -4.70 105.19 105.06 2h5g n GLY 736 Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.04 2h5g n GLY 736 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h5g s ALA 737 N -0.17 -2.18 0.04 4.61 0.00 -1.26 -4.29 121.76 118.50 2h5g s ALA 737 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 2h5g s ALA 737 Cb 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 2h5g s ALA 737 CO 0.00 -1.11 -0.04 -1.83 0.00 0.00 0.00 175.76 172.79 2h5g s GLU 738 N -2.17 0.47 0.11 0.00 -1.05 -1.26 -4.31 118.70 110.48 2h5g s GLU 738 Ca 0.24 -0.89 0.25 0.00 -0.15 0.00 0.00 54.97 54.42 2h5g s GLU 738 Cb -0.00 0.09 0.44 0.00 -0.44 0.00 0.00 34.13 34.22 2h5g s GLU 738 CO 0.00 -0.06 1.40 1.33 0.95 0.00 0.00 175.26 178.88 2h5g n VAL 739 N 0.94 0.33 -1.30 1.83 0.24 -0.18 -4.50 118.33 115.69 2h5g n VAL 739 Ca -0.20 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2h5g n VAL 739 Cb 0.58 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 2h5g n VAL 739 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2h5g n GLY 740 N 1.36 -2.41 3.29 7.63 0.00 -1.26 -4.97 105.19 108.83 2h5g n GLY 740 Ca 0.04 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 2h5g n GLY 740 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h5g s ILE 741 N -2.32 2.85 -0.15 -0.61 1.01 -1.26 -1.16 121.20 119.56 2h5g s ILE 741 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 2h5g s ILE 741 Cb 0.00 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 2h5g s ILE 741 CO 0.00 0.50 0.10 -0.55 0.00 0.00 0.00 174.94 174.99 2h5g s SER 742 N 0.82 5.96 0.00 3.58 0.15 0.33 -2.89 113.70 121.65 2h5g s SER 742 Ca -0.05 0.25 0.15 0.00 0.70 0.00 0.00 55.95 57.01 2h5g s SER 742 Cb -0.15 -1.96 0.33 0.00 -1.71 0.00 0.00 66.02 62.52 2h5g s SER 742 CO 0.00 0.28 1.24 0.35 1.20 0.00 0.00 173.24 176.31 2h5g n THR 743 N 2.85 0.66 -2.04 6.45 -2.24 -1.01 0.09 114.28 119.05 2h5g n THR 743 Ca -0.18 -0.83 -0.35 0.00 -2.27 0.00 0.00 64.05 60.42 2h5g n THR 743 Cb 0.53 0.78 0.03 0.00 -2.10 0.00 0.00 70.33 69.57 2h5g n THR 743 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2h5g s SER 744 N -1.11 5.35 0.00 3.42 0.15 -1.26 -4.96 113.70 115.29 2h5g s SER 744 Ca 0.28 2.21 0.23 0.00 0.70 0.00 0.00 55.95 59.37 2h5g s SER 744 Cb 0.16 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 62.01 2h5g s SER 744 CO 0.21 -1.48 1.18 0.54 1.20 0.00 0.00 173.24 174.90 2h5g n ARG 745 N -1.70 1.91 -4.09 5.44 1.74 -1.26 -4.46 116.66 114.24 2h5g n ARG 745 Ca 0.12 -1.59 -0.30 0.00 -0.77 0.00 0.00 57.85 55.30 2h5g n ARG 745 Cb 0.51 -1.45 -0.07 0.00 -1.02 0.00 0.00 32.46 30.42 2h5g n ARG 745 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2h5g s ILE 746 N -2.10 4.30 0.00 0.55 -4.36 -1.26 -4.89 121.20 113.45 2h5g s ILE 746 Ca 0.24 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.78 2h5g s ILE 746 Cb 0.19 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.84 2h5g s ILE 746 CO 0.38 0.13 0.00 1.57 0.24 0.00 0.00 174.94 177.26 2h5g n HIS 747 N 0.54 0.00 -3.70 1.37 -0.00 -1.26 -4.70 115.22 107.48 2h5g n HIS 747 Ca -0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.52 2h5g n HIS 747 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.40 2h5g n HIS 747 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2h5g s ALA 748 N 0.00 -1.12 -0.02 1.57 0.00 -1.26 -4.97 121.76 115.95 2h5g s ALA 748 Ca 0.00 1.54 0.05 0.00 0.00 0.00 0.00 51.96 53.56 2h5g s ALA 748 Cb 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 2h5g s ALA 748 CO 0.00 -0.26 -0.18 0.50 0.00 0.00 0.00 175.76 175.82 2h5g s ARG 749 N 1.18 1.57 1.69 0.00 3.52 -1.26 -4.51 118.95 121.14 2h5g s ARG 749 Ca -0.08 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 2h5g s ARG 749 Cb -0.07 -1.48 0.00 0.00 -1.56 0.00 0.00 34.95 31.84 2h5g s ARG 749 CO -0.11 0.36 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 2h5g n GLY 750 N 2.75 -1.59 3.73 8.12 0.00 0.11 -4.76 105.19 113.56 2h5g n GLY 750 Ca -0.16 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2h5g n GLY 750 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2h5g s PRO 751 N 0.00 4.18 -0.30 1.61 0.02 -1.26 -0.52 135.00 138.73 2h5g s PRO 751 Ca 0.00 2.47 -0.09 0.00 0.02 0.00 0.00 61.00 63.40 2h5g s PRO 751 Cb 0.00 -3.09 -0.00 0.00 0.02 0.00 0.00 34.50 31.43 2h5g s PRO 751 CO 0.00 -0.61 0.13 0.08 -0.33 0.00 0.00 177.00 176.27 2h5g s VAL 752 N 0.61 4.43 0.00 3.83 1.01 -0.31 -4.92 120.40 125.05 2h5g s VAL 752 Ca 0.67 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2h5g s VAL 752 Cb -0.46 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2h5g s VAL 752 CO 0.38 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2h5g n GLY 753 N 4.95 1.82 0.33 4.51 0.00 -1.26 -1.01 105.19 114.53 2h5g n GLY 753 Ca -0.14 -2.02 -0.02 0.00 0.00 0.00 0.00 46.02 43.84 2h5g n GLY 753 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2h5g h LEU 754 N 0.00 0.93 -1.84 0.99 8.10 -1.88 -2.02 115.31 119.59 2h5g h LEU 754 Ca 0.00 -0.10 0.13 0.00 0.11 0.00 0.00 57.88 58.02 2h5g h LEU 754 Cb 0.00 -0.24 -0.03 0.00 -0.44 0.00 0.00 40.66 39.95 2h5g h LEU 754 CO 0.00 0.79 0.38 -0.33 -4.11 0.00 0.00 178.44 175.17 2h5g h GLU 755 N 1.02 0.16 0.00 0.17 3.07 -1.94 0.62 114.58 117.68 2h5g h GLU 755 Ca 0.25 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2h5g h GLU 755 Cb 0.10 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2h5g h GLU 755 CO -0.03 0.11 0.00 0.41 -1.40 0.00 0.00 179.01 178.10 2h5g n GLY 756 N -1.59 -0.90 1.37 -3.84 0.00 -0.76 -2.92 105.19 96.55 2h5g n GLY 756 Ca 0.10 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.05 2h5g n GLY 756 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h5g n LEU 757 N -0.97 4.21 -4.56 0.99 4.77 0.21 -4.95 117.00 116.69 2h5g n LEU 757 Ca 0.20 -2.23 -0.30 0.00 -0.03 0.00 0.00 56.01 53.65 2h5g n LEU 757 Cb 0.09 -0.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 2h5g n LEU 757 CO 0.15 0.88 -0.42 -0.76 -1.33 0.00 0.00 177.39 175.91 2h5g s LEU 758 N -1.42 3.00 0.00 2.23 1.43 -1.15 -2.52 118.68 120.25 2h5g s LEU 758 Ca 0.47 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2h5g s LEU 758 Cb 0.28 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.72 2h5g s LEU 758 CO 0.27 0.22 0.00 1.07 0.23 0.00 0.00 176.35 178.14 2h5g n THR 759 N 1.04 0.00 -4.23 5.49 5.66 -0.20 -4.80 114.28 117.24 2h5g n THR 759 Ca -0.14 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 2h5g n THR 759 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 2h5g n THR 759 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2h5g s THR 760 N 0.97 0.43 -0.07 1.09 -4.23 -1.26 -1.49 115.64 111.08 2h5g s THR 760 Ca 0.00 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.49 2h5g s THR 760 Cb 0.00 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.62 2h5g s THR 760 CO 0.00 -0.32 0.19 -0.75 -0.54 0.00 0.00 174.62 173.19 2h5g s LYS 761 N -4.00 0.19 -0.23 3.99 2.20 0.40 -4.84 119.74 117.46 2h5g s LYS 761 Ca 0.28 0.32 -0.12 0.00 -0.36 0.00 0.00 55.97 56.10 2h5g s LYS 761 Cb 0.07 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.36 2h5g s LYS 761 CO 0.06 -0.07 0.21 -1.58 -0.36 0.00 0.00 175.35 173.61 2h5g s TRP 762 N 0.49 3.34 -0.16 4.03 0.52 -1.26 -0.72 118.94 125.17 2h5g s TRP 762 Ca -0.03 0.32 -0.01 0.00 0.02 0.00 0.00 56.10 56.40 2h5g s TRP 762 Cb -0.05 -2.32 -0.01 0.00 -1.15 0.00 0.00 33.47 29.95 2h5g s TRP 762 CO -0.02 0.07 -0.12 -0.51 0.02 0.00 0.00 176.95 176.38 2h5g s LEU 763 N 1.04 2.62 -0.14 2.99 1.43 0.47 -5.00 118.68 122.10 2h5g s LEU 763 Ca 0.10 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2h5g s LEU 763 Cb -0.14 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.49 2h5g s LEU 763 CO 0.05 0.08 -0.17 -0.22 0.23 0.00 0.00 176.35 176.32 2h5g s LEU 764 N 0.83 1.88 -0.25 1.79 2.96 -1.26 -1.07 118.68 123.56 2h5g s LEU 764 Ca -0.04 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2h5g s LEU 764 Cb -0.15 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.28 2h5g s LEU 764 CO 0.00 0.00 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.87 2h5g s ARG 765 N 1.17 2.87 0.00 1.98 0.52 -0.49 -4.99 118.95 120.01 2h5g s ARG 765 Ca -0.01 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 2h5g s ARG 765 Cb -0.14 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.29 2h5g s ARG 765 CO -0.07 -0.41 0.00 0.41 0.02 0.00 0.00 175.30 175.25 2h5g n GLY 766 N 4.69 5.43 0.28 -3.53 0.00 -1.26 -1.94 105.19 108.86 2h5g n GLY 766 Ca -0.16 -2.15 -0.03 0.00 0.00 0.00 0.00 46.02 43.68 2h5g n GLY 766 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2h5g n LYS 767 N 0.00 0.20 -1.80 1.61 3.00 -1.21 -4.91 118.16 115.05 2h5g n LYS 767 Ca 0.00 0.08 -0.02 0.00 -0.00 0.00 0.00 58.31 58.37 2h5g n LYS 767 Cb 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 35.03 34.26 2h5g n LYS 767 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2h5g n ASP 768 N -3.35 -0.25 -4.73 3.14 5.75 -1.26 -5.14 116.55 110.72 2h5g n ASP 768 Ca -0.05 -2.06 -0.42 0.00 -0.01 0.00 0.00 54.79 52.26 2h5g n ASP 768 Cb 0.20 0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 2h5g n ASP 768 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2h5g s HIS 769 N -0.55 3.35 0.02 2.11 3.76 -1.26 -5.04 115.29 117.69 2h5g s HIS 769 Ca 0.14 1.25 0.06 0.00 -0.15 0.00 0.00 55.06 56.36 2h5g s HIS 769 Cb 0.25 -3.52 -0.02 0.00 1.11 0.00 0.00 32.58 30.40 2h5g s HIS 769 CO -0.08 -1.61 -0.17 0.14 -0.85 0.00 0.00 174.74 172.17 2h5g s VAL 770 N 0.47 1.37 0.35 -0.90 -7.23 -1.26 -5.06 120.40 108.13 2h5g s VAL 770 Ca 0.57 -0.96 0.08 0.00 -1.81 0.00 0.00 61.98 59.87 2h5g s VAL 770 Cb -0.34 -1.18 0.13 0.00 0.56 0.00 0.00 36.38 35.55 2h5g s VAL 770 CO 0.34 0.21 1.85 0.58 -0.31 0.00 0.00 175.10 177.77 2h5g h VAL 771 N 4.54 1.21 -0.81 1.32 2.07 -2.01 -3.02 116.25 119.55 2h5g h VAL 771 Ca -0.39 -0.98 0.11 0.00 0.82 0.00 0.00 66.70 66.27 2h5g h VAL 771 Cb 1.16 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 2h5g h VAL 771 CO 0.46 0.30 0.53 0.77 0.02 0.00 0.00 177.57 179.65 2h5g h SER 772 N 0.27 0.64 -0.06 0.57 4.64 -1.99 -1.66 113.55 115.95 2h5g h SER 772 Ca 0.05 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 2h5g h SER 772 Cb 0.48 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2h5g h SER 772 CO 0.03 0.37 0.06 0.44 -0.87 0.00 0.00 176.83 176.86 2h5g h ASP 773 N 0.70 0.00 -0.36 4.97 3.32 -1.93 -1.93 116.42 121.20 2h5g h ASP 773 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2h5g h ASP 773 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2h5g h ASP 773 CO -0.15 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.86 2h5g n PHE 774 N -3.98 0.46 -1.25 4.55 3.72 -0.63 -1.24 117.46 119.10 2h5g n PHE 774 Ca -0.01 -0.23 -0.30 0.00 -0.05 0.00 0.00 57.45 56.86 2h5g n PHE 774 Cb 0.16 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.92 2h5g n PHE 774 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2h5g s SER 775 N -1.47 1.58 0.26 4.37 1.04 -0.72 -4.85 113.70 113.90 2h5g s SER 775 Ca 0.37 0.65 -0.02 0.00 0.48 0.00 0.00 55.95 57.43 2h5g s SER 775 Cb 0.21 -0.93 0.50 0.00 0.10 0.00 0.00 66.02 65.90 2h5g s SER 775 CO 0.30 -3.72 1.76 -0.08 0.98 0.00 0.00 173.24 172.48 2h5g h GLU 776 N -2.31 0.56 -0.49 4.02 4.81 -1.93 -1.42 114.58 117.82 2h5g h GLU 776 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2h5g h GLU 776 Cb 1.29 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2h5g h GLU 776 CO 0.39 0.37 0.00 0.72 -0.73 0.00 0.00 179.01 179.76 2h5g n HIS 777 N -4.90 1.34 -2.17 0.92 8.25 -1.26 -5.00 115.22 112.40 2h5g n HIS 777 Ca 0.16 -0.70 -0.19 0.00 -0.26 0.00 0.00 57.72 56.73 2h5g n HIS 777 Cb 0.41 -0.30 0.12 0.00 1.12 0.00 0.00 29.99 31.34 2h5g n HIS 777 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h5g n GLY 778 N 0.49 -0.18 0.05 -1.41 0.00 -0.54 -5.02 105.19 98.57 2h5g n GLY 778 Ca 0.23 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.48 2h5g n GLY 778 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h5g n SER 779 N -3.22 0.58 -4.51 1.61 3.41 -0.58 -4.90 113.62 106.00 2h5g n SER 779 Ca 0.12 -0.06 -0.30 0.00 -0.26 0.00 0.00 58.87 58.37 2h5g n SER 779 Cb 0.44 0.89 -0.11 0.00 -0.26 0.00 0.00 64.21 65.16 2h5g n SER 779 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2h5g s LEU 780 N -4.32 2.79 0.10 1.04 1.43 -0.37 -5.05 118.68 114.30 2h5g s LEU 780 Ca 0.01 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 2h5g s LEU 780 Cb 0.13 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2h5g s LEU 780 CO 0.81 0.18 -0.22 -1.59 0.23 0.00 0.00 176.35 175.77 2h5g s LYS 781 N -2.14 1.71 0.46 1.70 -2.85 -1.26 -4.41 119.74 112.94 2h5g s LYS 781 Ca 0.19 -1.20 -0.21 0.00 -1.00 0.00 0.00 55.97 53.75 2h5g s LYS 781 Cb -0.11 -2.04 -0.09 0.00 -2.06 0.00 0.00 37.83 33.53 2h5g s LYS 781 CO 0.11 0.48 1.04 0.71 0.10 0.00 0.00 175.35 177.79 2h5g s TYR 782 N -1.05 3.07 -0.20 1.78 2.02 -1.26 -4.67 117.35 117.04 2h5g s TYR 782 Ca 0.16 1.59 0.02 0.00 -0.37 0.00 0.00 57.07 58.47 2h5g s TYR 782 Cb -0.10 -3.07 -0.14 0.00 -0.40 0.00 0.00 41.96 38.25 2h5g s TYR 782 CO 0.07 -0.75 -0.16 1.28 -1.57 0.00 0.00 175.55 174.42 2h5g n LEU 783 N -0.74 2.76 -4.08 -1.29 4.77 0.11 -4.96 117.00 113.58 2h5g n LEU 783 Ca 0.08 -0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 2h5g n LEU 783 Cb 0.52 -0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2h5g n LEU 783 CO 0.41 0.81 -0.22 1.41 -1.33 0.00 0.00 177.39 178.47 2h5g n HIS 784 N -3.05 -1.43 -3.55 -1.77 8.25 -0.74 -4.95 115.22 107.98 2h5g n HIS 784 Ca -0.35 0.23 -0.40 0.00 -0.26 0.00 0.00 57.72 56.94 2h5g n HIS 784 Cb 0.89 -2.89 -0.11 0.00 1.12 0.00 0.00 29.99 29.00 2h5g n HIS 784 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2h5g s GLU 785 N -7.26 3.38 0.21 -0.41 2.02 -0.28 -4.92 118.70 111.46 2h5g s GLU 785 Ca 0.38 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 2h5g s GLU 785 Cb -0.20 -3.77 -0.09 0.00 0.10 0.00 0.00 34.13 30.18 2h5g s GLU 785 CO 0.96 -0.48 1.29 -0.80 0.02 0.00 0.00 175.26 176.26 2h5g s ASN 786 N 1.69 6.92 0.20 -0.19 0.01 -1.26 0.15 114.94 122.45 2h5g s ASN 786 Ca 0.05 2.41 0.07 0.00 -0.71 0.00 0.00 52.86 54.69 2h5g s ASN 786 Cb -0.18 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 2h5g s ASN 786 CO 0.09 -0.50 0.05 -0.76 -1.51 0.00 0.00 177.10 174.47 2h5g s LEU 787 N -0.35 3.43 0.38 0.60 1.43 0.12 -4.90 118.68 119.39 2h5g s LEU 787 Ca 0.55 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 53.00 2h5g s LEU 787 Cb -0.36 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 2h5g s LEU 787 CO 0.40 0.05 1.29 -2.84 0.23 0.00 0.00 176.35 175.48 2h5g s PRO 788 N -3.22 4.12 0.01 1.29 0.02 -1.26 -4.61 135.00 131.35 2h5g s PRO 788 Ca 0.29 2.14 0.09 0.00 0.02 0.00 0.00 61.00 63.54 2h5g s PRO 788 Cb -0.09 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.55 2h5g s PRO 788 CO 0.20 -0.36 -0.26 0.96 -0.33 0.00 0.00 177.00 177.21 2h5g s ILE 789 N -1.24 2.10 0.20 2.83 -4.36 -1.26 -4.99 121.20 114.49 2h5g s ILE 789 Ca 0.54 -1.26 -0.32 0.00 -0.26 0.00 0.00 60.65 59.36 2h5g s ILE 789 Cb -0.38 -1.77 -0.15 0.00 1.25 0.00 0.00 42.46 41.42 2h5g s ILE 789 CO 0.49 0.47 1.27 -0.81 0.24 0.00 0.00 174.94 176.60 2h5g n PRO 790 N 2.09 1.56 -2.59 0.37 -0.04 -1.26 -4.95 135.00 130.19 2h5g n PRO 790 Ca -0.16 0.56 -0.36 0.00 -0.04 0.00 0.00 63.50 63.49 2h5g n PRO 790 Cb 0.51 -2.12 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 2h5g n PRO 790 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2h5g s GLN 791 N -0.41 4.25 0.58 0.54 0.00 -1.26 -5.02 119.66 118.33 2h5g s GLN 791 Ca 0.71 1.47 -0.18 0.00 -0.00 0.00 0.00 55.36 57.35 2h5g s GLN 791 Cb -0.76 -2.58 -0.04 0.00 0.00 0.00 0.00 33.01 29.64 2h5g s GLN 791 CO 0.51 -0.06 1.13 1.03 0.00 0.00 0.00 175.29 177.90 2h5g s ARG 792 N -2.44 3.16 0.18 9.60 0.52 -1.26 -5.02 118.95 123.68 2h5g s ARG 792 Ca 0.56 1.57 -0.29 0.00 -0.52 0.00 0.00 55.73 57.05 2h5g s ARG 792 Cb -0.21 -1.98 -0.08 0.00 0.52 0.00 0.00 34.95 33.20 2h5g s ARG 792 CO 0.26 -1.00 0.90 -0.80 0.02 0.00 0.00 175.30 174.69 2h5g s ASN 793 N -1.98 7.53 0.00 0.23 0.01 -1.26 -5.26 114.94 114.20 2h5g s ASN 793 Ca 0.72 1.82 0.30 0.00 -0.71 0.00 0.00 52.86 54.98 2h5g s ASN 793 Cb -0.23 -2.57 1.54 0.00 0.41 0.00 0.00 41.25 40.39 2h5g s ASN 793 CO 0.32 0.09 2.02 0.35 -1.51 0.00 0.00 177.10 178.37