#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3r h THR 364 N 0.00 1.12 -3.81 2.61 2.02 -2.03 -3.48 112.91 109.34 3h3r h THR 364 Ca 0.00 -2.62 -0.47 0.00 0.77 0.00 0.00 66.41 64.09 3h3r h THR 364 Cb 0.00 2.91 0.18 0.00 -1.74 0.00 0.00 68.15 69.51 3h3r h THR 364 CO 0.00 0.83 0.15 -1.38 0.37 0.00 0.00 175.52 175.50 3h3r s HIS 365 N -2.59 1.77 -0.71 3.16 -0.00 -1.26 -4.87 115.29 110.79 3h3r s HIS 365 Ca -0.12 1.36 0.22 0.00 -0.00 0.00 0.00 55.06 56.52 3h3r s HIS 365 Cb 0.05 -3.19 0.89 0.00 -0.00 0.00 0.00 32.58 30.33 3h3r s HIS 365 CO 0.90 -3.08 1.69 2.89 -0.00 0.00 0.00 174.74 177.14 3h3r n ARG 366 N -4.38 0.14 -0.24 -0.38 1.85 -1.26 -2.52 116.66 109.88 3h3r n ARG 366 Ca 0.07 0.30 0.11 0.00 -1.00 0.00 0.00 57.85 57.32 3h3r n ARG 366 Cb 0.54 -1.73 0.27 0.00 -1.05 0.00 0.00 32.46 30.49 3h3r n ARG 366 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3h3r n PHE 367 N -1.99 0.62 -0.25 2.89 3.72 -1.26 -4.57 117.46 116.63 3h3r n PHE 367 Ca 0.04 -0.31 -0.06 0.00 -0.05 0.00 0.00 57.45 57.07 3h3r n PHE 367 Cb 0.26 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.86 3h3r n PHE 367 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 3h3r h VAL 368 N 3.81 1.21 -0.51 -4.37 -1.51 -1.84 -0.14 116.25 112.90 3h3r h VAL 368 Ca 0.00 -0.49 -0.05 0.00 -1.23 0.00 0.00 66.70 64.93 3h3r h VAL 368 Cb 0.85 0.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.25 3h3r h VAL 368 CO 0.00 0.22 0.13 1.56 -1.23 0.00 0.00 177.57 178.25 3h3r h GLN 369 N 0.96 0.82 -0.26 5.19 1.08 -1.86 -2.01 115.11 119.04 3h3r h GLN 369 Ca 0.25 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3h3r h GLN 369 Cb -0.00 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3h3r h GLN 369 CO -0.04 0.79 0.11 -0.22 -0.95 0.00 0.00 178.83 178.51 3h3r h LYS 370 N 0.71 0.38 -0.56 1.46 1.63 -1.80 -2.38 116.57 116.03 3h3r h LYS 370 Ca 0.16 -0.07 0.11 0.00 -0.85 0.00 0.00 60.65 60.01 3h3r h LYS 370 Cb 0.33 -0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 31.79 3h3r h LYS 370 CO 0.00 0.41 -0.18 0.28 -3.45 0.00 0.00 179.45 176.51 3h3r h VAL 371 N 0.27 0.38 -0.52 2.00 2.07 -0.83 -1.11 116.25 118.51 3h3r h VAL 371 Ca 0.09 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.54 3h3r h VAL 371 Cb 0.17 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3h3r h VAL 371 CO -0.01 0.00 0.05 -0.33 0.02 0.00 0.00 177.57 177.31 3h3r h GLU 372 N -0.04 0.84 -0.49 1.57 4.39 -1.19 -0.85 114.58 118.81 3h3r h GLU 372 Ca 0.26 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 3h3r h GLU 372 Cb 0.45 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3h3r h GLU 372 CO -0.60 0.81 -0.13 1.49 -1.16 0.00 0.00 179.01 179.42 3h3r h GLU 373 N 0.80 0.96 -0.34 2.33 4.81 -0.97 -0.37 114.58 121.80 3h3r h GLU 373 Ca 0.16 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 3h3r h GLU 373 Cb 0.40 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3h3r h GLU 373 CO 0.01 1.04 -0.02 0.52 -0.73 0.00 0.00 179.01 179.84 3h3r h MET 374 N 0.82 0.62 -0.62 1.92 2.86 -0.81 -0.89 114.93 118.82 3h3r h MET 374 Ca 0.12 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3h3r h MET 374 Cb 0.70 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 3h3r h MET 374 CO 0.05 0.75 0.37 0.28 1.06 0.00 0.00 176.91 179.42 3h3r h VAL 375 N 0.42 1.19 -0.45 -2.22 2.07 -1.10 -1.60 116.25 114.56 3h3r h VAL 375 Ca 0.09 -0.43 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 3h3r h VAL 375 Cb 0.48 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3h3r h VAL 375 CO 0.02 0.19 -0.13 -0.61 0.02 0.00 0.00 177.57 177.06 3h3r h GLN 376 N 0.84 0.89 -0.42 1.57 5.75 -0.95 0.44 115.11 123.24 3h3r h GLN 376 Ca 0.22 -0.35 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 3h3r h GLN 376 Cb -0.01 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 3h3r h GLN 376 CO -0.04 1.00 0.25 -0.91 -2.65 0.00 0.00 178.83 176.48 3h3r h ASN 377 N 0.73 0.41 -0.78 -0.69 2.35 -1.03 -0.51 115.58 116.05 3h3r h ASN 377 Ca 0.11 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3h3r h ASN 377 Cb 0.68 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 3h3r h ASN 377 CO 0.05 0.29 0.37 0.45 -1.65 0.00 0.00 177.43 176.94 3h3r h HIS 378 N 0.51 1.13 -0.09 1.19 3.86 -1.13 0.38 115.15 121.00 3h3r h HIS 378 Ca 0.17 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 3h3r h HIS 378 Cb 0.01 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 3h3r h HIS 378 CO -0.07 0.82 -0.21 0.52 0.86 0.00 0.00 177.93 179.85 3h3r h MET 379 N 1.10 0.15 0.05 2.45 2.86 -0.49 -1.45 114.93 119.60 3h3r h MET 379 Ca 0.27 -0.04 -0.33 0.00 -2.06 0.00 0.00 59.70 57.54 3h3r h MET 379 Cb 0.12 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3h3r h MET 379 CO -0.03 0.36 -1.82 0.25 1.06 0.00 0.00 176.91 176.73 3h3r n THR 380 N -4.23 1.63 -0.05 2.22 -2.24 -0.24 -4.44 114.28 106.93 3h3r n THR 380 Ca -0.01 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 3h3r n THR 380 Cb 0.31 -1.84 -0.15 0.00 -2.10 0.00 0.00 70.33 66.55 3h3r n THR 380 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3h3r n TYR 381 N -3.94 0.62 0.12 4.78 4.01 0.13 -4.36 117.16 118.52 3h3r n TYR 381 Ca -0.36 0.22 -0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3h3r n TYR 381 Cb 0.88 -1.12 0.01 0.00 -0.31 0.00 0.00 39.34 38.80 3h3r n TYR 381 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3h3r h SER 382 N 0.00 0.00 1.85 7.72 0.02 -1.32 -3.27 113.55 118.55 3h3r h SER 382 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3h3r h SER 382 Cb 2.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.64 3h3r h SER 382 CO 0.06 0.65 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.21 3h3r h LEU 383 N 0.00 0.00 -9.14 5.07 3.38 -1.76 -3.46 115.31 109.40 3h3r h LEU 383 Ca -0.01 -0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.22 3h3r h LEU 383 Cb 1.46 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.25 3h3r h LEU 383 CO 0.08 0.00 0.40 1.67 0.09 0.00 0.00 178.44 180.69 3h3r n GLN 384 N -2.99 0.67 -1.80 1.13 7.27 -1.23 -4.87 117.38 115.55 3h3r n GLN 384 Ca 0.04 0.24 -0.42 0.00 0.07 0.00 0.00 57.00 56.93 3h3r n GLN 384 Cb 0.53 -1.83 -0.03 0.00 2.41 0.00 0.00 30.24 31.32 3h3r n GLN 384 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3h3r s ASP 385 N 0.94 6.46 0.00 1.69 2.15 -1.26 -4.93 116.67 121.71 3h3r s ASP 385 Ca 0.90 2.77 0.05 0.00 0.43 0.00 0.00 52.55 56.70 3h3r s ASP 385 Cb -1.12 -2.59 0.09 0.00 -0.30 0.00 0.00 42.92 38.99 3h3r s ASP 385 CO 0.56 -0.92 0.92 0.52 -0.17 0.00 0.00 175.17 176.07 3h3r n VAL 386 N 4.05 0.60 -0.14 1.11 0.31 -1.26 -4.65 118.33 118.35 3h3r n VAL 386 Ca 0.15 -0.80 -0.10 0.00 -0.01 0.00 0.00 64.34 63.58 3h3r n VAL 386 Cb 0.37 0.74 -0.01 0.00 -0.91 0.00 0.00 33.84 34.02 3h3r n VAL 386 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3h3r h GLY 387 N 0.87 0.80 -2.87 2.92 0.00 -1.98 -3.10 103.07 99.71 3h3r h GLY 387 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3h3r h GLY 387 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 176.54 177.70 3h3r n GLY 388 N -0.34 2.50 3.49 4.60 0.00 -1.26 -4.88 105.19 109.29 3h3r n GLY 388 Ca -0.01 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 3h3r n GLY 388 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h3r s ASP 389 N -0.91 6.29 0.00 1.61 -1.08 -1.17 -4.93 116.67 116.48 3h3r s ASP 389 Ca 0.49 -0.56 0.15 0.00 -0.52 0.00 0.00 52.55 52.10 3h3r s ASP 389 Cb 0.30 -2.33 0.67 0.00 -1.46 0.00 0.00 42.92 40.10 3h3r s ASP 389 CO 0.26 -0.90 1.47 0.00 0.52 0.00 0.00 175.17 176.52 3h3r n ALA 390 N 6.43 1.73 0.64 3.66 0.00 -1.26 -0.69 120.51 131.02 3h3r n ALA 390 Ca -0.03 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.47 3h3r n ALA 390 Cb 0.47 -1.24 0.46 0.00 0.00 0.00 0.00 19.45 19.14 3h3r n ALA 390 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h3r n ASN 391 N -1.44 0.45 -4.64 0.00 5.03 -1.26 -4.82 115.26 108.59 3h3r n ASN 391 Ca 0.05 0.57 -0.29 0.00 0.87 0.00 0.00 54.58 55.77 3h3r n ASN 391 Cb 0.16 -0.68 -0.09 0.00 -1.02 0.00 0.00 39.78 38.15 3h3r n ASN 391 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3h3r s TRP 392 N -3.12 2.85 -0.08 3.10 0.52 0.13 -4.45 118.94 117.90 3h3r s TRP 392 Ca 0.09 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 56.12 3h3r s TRP 392 Cb 0.13 -1.45 0.01 0.00 -1.15 0.00 0.00 33.47 31.01 3h3r s TRP 392 CO 0.47 0.47 -0.13 -1.14 0.02 0.00 0.00 176.95 176.64 3h3r s GLN 393 N -2.44 1.87 -0.45 4.98 0.74 -0.29 -4.86 119.66 119.21 3h3r s GLN 393 Ca 0.24 -0.46 -0.28 0.00 0.05 0.00 0.00 55.36 54.91 3h3r s GLN 393 Cb -0.11 -1.58 0.01 0.00 1.10 0.00 0.00 33.01 32.43 3h3r s GLN 393 CO 0.17 -0.01 1.47 -1.17 -0.55 0.00 0.00 175.29 175.20 3h3r s LEU 394 N 0.81 3.52 -0.02 3.68 2.96 -1.26 -1.52 118.68 126.85 3h3r s LEU 394 Ca -0.11 0.73 0.14 0.00 -0.22 0.00 0.00 54.13 54.67 3h3r s LEU 394 Cb -0.15 -3.38 -0.21 0.00 0.50 0.00 0.00 46.19 42.94 3h3r s LEU 394 CO 0.02 -1.57 0.38 1.33 -1.32 0.00 0.00 176.35 175.19 3h3r n VAL 395 N 7.08 0.00 -3.73 1.68 0.24 -0.05 -4.95 118.33 118.59 3h3r n VAL 395 Ca 0.16 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.34 62.02 3h3r n VAL 395 Cb 0.48 0.36 -0.15 0.00 -1.47 0.00 0.00 33.84 33.06 3h3r n VAL 395 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3h3r s VAL 396 N -2.85 -0.09 -0.02 3.34 1.01 -1.05 -4.99 120.40 115.75 3h3r s VAL 396 Ca -0.03 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3h3r s VAL 396 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 3h3r s VAL 396 CO 0.60 0.09 -0.12 -0.70 0.00 0.00 0.00 175.10 174.97 3h3r s GLU 397 N 1.40 1.13 -0.29 2.72 2.12 -1.26 -0.22 118.70 124.29 3h3r s GLU 397 Ca -0.06 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 54.83 3h3r s GLU 397 Cb -0.12 -1.06 0.19 0.00 0.26 0.00 0.00 34.13 33.41 3h3r s GLU 397 CO -0.05 0.23 0.69 -2.00 -0.54 0.00 0.00 175.26 173.59 3h3r s GLU 398 N -0.13 0.47 7.11 4.30 2.12 -0.49 -5.03 118.70 127.05 3h3r s GLU 398 Ca 0.02 0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.95 3h3r s GLU 398 Cb -0.07 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.63 3h3r s GLU 398 CO 0.00 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 3h3r n GLY 399 N 5.39 1.92 0.18 -1.50 0.00 -1.26 -1.70 105.19 108.22 3h3r n GLY 399 Ca 0.03 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.77 3h3r n GLY 399 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h3r n GLU 400 N 12.68 0.83 -3.25 1.61 -0.58 -1.26 -4.86 120.64 125.80 3h3r n GLU 400 Ca 0.00 -0.36 -0.39 0.00 -0.42 0.00 0.00 57.16 55.99 3h3r n GLU 400 Cb 0.00 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.32 3h3r n GLU 400 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3h3r s MET 401 N -2.42 4.28 -0.04 3.49 1.75 -0.69 -3.80 119.30 121.87 3h3r s MET 401 Ca 0.29 0.48 0.04 0.00 -1.25 0.00 0.00 55.69 55.25 3h3r s MET 401 Cb 0.20 -3.50 -0.00 0.00 2.84 0.00 0.00 34.83 34.37 3h3r s MET 401 CO 0.47 0.00 -0.15 0.15 -0.65 0.00 0.00 175.02 174.84 3h3r s LYS 402 N 1.13 1.57 -0.13 4.11 1.02 0.33 -1.40 119.74 126.37 3h3r s LYS 402 Ca 0.26 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.74 3h3r s LYS 402 Cb -0.15 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.77 3h3r s LYS 402 CO 0.11 0.22 -0.20 0.08 -0.92 0.00 0.00 175.35 174.63 3h3r s VAL 403 N 0.05 2.29 0.19 3.17 1.01 0.69 -0.85 120.40 126.95 3h3r s VAL 403 Ca -0.03 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.15 3h3r s VAL 403 Cb -0.11 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3h3r s VAL 403 CO 0.02 0.54 -0.23 -0.31 0.00 0.00 0.00 175.10 175.12 3h3r s TYR 404 N 0.64 2.33 0.03 5.22 2.02 0.15 -0.88 117.35 126.86 3h3r s TYR 404 Ca -0.10 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3h3r s TYR 404 Cb -0.16 -1.16 -0.03 0.00 -0.40 0.00 0.00 41.96 40.21 3h3r s TYR 404 CO 0.02 0.49 -0.03 -0.98 -1.57 0.00 0.00 175.55 173.48 3h3r s ARG 405 N -2.63 0.42 -0.16 -0.62 1.70 -0.58 -1.06 118.95 116.02 3h3r s ARG 405 Ca 0.20 -0.82 -0.01 0.00 -0.47 0.00 0.00 55.73 54.63 3h3r s ARG 405 Cb -0.08 0.15 -0.01 0.00 -0.57 0.00 0.00 34.95 34.44 3h3r s ARG 405 CO 0.10 -0.07 -0.11 0.50 -1.08 0.00 0.00 175.30 174.63 3h3r s ARG 406 N -2.34 3.34 -0.40 3.89 3.52 -0.43 -1.14 118.95 125.38 3h3r s ARG 406 Ca -0.08 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.55 3h3r s ARG 406 Cb -0.04 -2.73 0.02 0.00 -1.56 0.00 0.00 34.95 30.65 3h3r s ARG 406 CO -0.04 0.04 1.11 -1.21 -0.81 0.00 0.00 175.30 174.39 3h3r s GLU 407 N 0.79 3.89 -0.01 5.12 2.02 -1.26 -3.10 118.70 126.15 3h3r s GLU 407 Ca -0.04 0.81 0.02 0.00 0.02 0.00 0.00 54.97 55.78 3h3r s GLU 407 Cb -0.15 -3.83 -0.00 0.00 0.10 0.00 0.00 34.13 30.25 3h3r s GLU 407 CO 0.01 -1.15 -0.05 0.08 0.02 0.00 0.00 175.26 174.16 3h3r s VAL 408 N 4.07 0.45 -0.01 2.63 1.01 -1.26 -4.95 120.40 122.33 3h3r s VAL 408 Ca 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 3h3r s VAL 408 Cb -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3h3r s VAL 408 CO 0.24 0.14 0.03 -1.83 0.00 0.00 0.00 175.10 173.67 3h3r s GLU 409 N -0.02 0.05 -0.14 2.72 4.04 -1.26 0.10 118.70 124.19 3h3r s GLU 409 Ca 0.01 0.02 0.02 0.00 0.04 0.00 0.00 54.97 55.05 3h3r s GLU 409 Cb -0.04 0.02 0.00 0.00 0.02 0.00 0.00 34.13 34.14 3h3r s GLU 409 CO -0.00 -0.01 -0.19 -1.21 -1.84 0.00 0.00 175.26 172.01 3h3r s GLU 410 N -0.03 3.13 -1.43 -4.83 2.02 -0.26 -4.72 118.70 112.57 3h3r s GLU 410 Ca -0.01 -0.80 -0.09 0.00 0.02 0.00 0.00 54.97 54.09 3h3r s GLU 410 Cb -0.01 -2.52 0.05 0.00 0.10 0.00 0.00 34.13 31.76 3h3r s GLU 410 CO 0.00 0.03 0.66 0.09 0.02 0.00 0.00 175.26 176.06 3h3r n ASN 411 N 3.99 -4.87 0.00 -0.19 5.03 -1.26 -0.51 115.26 117.45 3h3r n ASN 411 Ca -0.19 -0.44 0.00 0.00 0.87 0.00 0.00 54.58 54.81 3h3r n ASN 411 Cb 0.52 -3.95 0.00 0.00 -1.02 0.00 0.00 39.78 35.33 3h3r n ASN 411 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h3r n GLY 412 N -1.43 0.82 3.64 7.41 0.00 -1.26 -5.01 105.19 109.36 3h3r n GLY 412 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3h3r n GLY 412 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3r s ILE 413 N -3.33 5.34 -0.04 -0.61 1.01 0.33 -4.77 121.20 119.14 3h3r s ILE 413 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 3h3r s ILE 413 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3h3r s ILE 413 CO 0.00 0.32 1.35 -0.69 0.00 0.00 0.00 174.94 175.92 3h3r s VAL 414 N 1.25 3.91 0.00 2.92 1.01 -1.26 -1.10 120.40 127.13 3h3r s VAL 414 Ca 0.08 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.30 3h3r s VAL 414 Cb -0.14 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3h3r s VAL 414 CO 0.06 -0.02 0.69 0.18 0.00 0.00 0.00 175.10 176.01 3h3r n LEU 415 N 5.55 1.37 -2.17 3.92 4.77 0.29 -4.49 117.00 126.24 3h3r n LEU 415 Ca 0.13 -1.37 -0.30 0.00 -0.03 0.00 0.00 56.01 54.44 3h3r n LEU 415 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3h3r n LEU 415 CO 0.58 0.34 0.89 0.47 -1.33 0.00 0.00 177.39 178.34 3h3r n ASP 416 N -0.19 0.37 -4.72 -1.43 8.00 -1.07 -4.42 116.55 113.09 3h3r n ASP 416 Ca 0.00 0.34 -0.42 0.00 0.71 0.00 0.00 54.79 55.41 3h3r n ASP 416 Cb 0.10 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.73 3h3r n ASP 416 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3h3r n PRO 417 N 3.84 2.38 -4.89 -0.24 -0.02 -1.18 -4.65 135.00 130.23 3h3r n PRO 417 Ca 0.28 0.84 -0.33 0.00 -2.02 0.00 0.00 63.50 62.27 3h3r n PRO 417 Cb -0.02 -2.51 -0.14 0.00 -0.02 0.00 0.00 33.50 30.81 3h3r n PRO 417 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h3r s LEU 418 N -0.96 2.67 -0.05 2.45 2.96 -0.34 -1.31 118.68 124.09 3h3r s LEU 418 Ca 0.59 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 54.23 3h3r s LEU 418 Cb -0.54 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 44.62 3h3r s LEU 418 CO 0.57 0.28 0.00 -0.75 -1.32 0.00 0.00 176.35 175.13 3h3r s LYS 419 N -0.33 0.46 0.08 1.98 2.20 -0.22 -0.98 119.74 122.94 3h3r s LYS 419 Ca 0.03 0.09 0.07 0.00 -0.36 0.00 0.00 55.97 55.80 3h3r s LYS 419 Cb -0.13 -0.73 -0.04 0.00 -1.51 0.00 0.00 37.83 35.43 3h3r s LYS 419 CO 0.02 -0.21 -0.15 0.00 -0.36 0.00 0.00 175.35 174.66 3h3r s ALA 420 N 1.49 2.76 0.04 3.13 0.00 0.94 0.32 121.76 130.43 3h3r s ALA 420 Ca -0.03 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 50.75 3h3r s ALA 420 Cb -0.13 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 3h3r s ALA 420 CO -0.03 0.60 -0.21 0.95 0.00 0.00 0.00 175.76 177.08 3h3r s THR 421 N -1.09 1.65 0.06 0.00 -4.23 -0.03 -0.64 115.64 111.37 3h3r s THR 421 Ca 0.18 -1.16 -0.10 0.00 -1.18 0.00 0.00 61.69 59.43 3h3r s THR 421 Cb -0.11 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.31 3h3r s THR 421 CO 0.09 0.23 0.21 -2.28 -0.54 0.00 0.00 174.62 172.34 3h3r s HIS 422 N -0.76 0.07 -0.08 3.99 2.46 -0.64 -0.51 115.29 119.81 3h3r s HIS 422 Ca 0.07 -0.37 0.00 0.00 0.47 0.00 0.00 55.06 55.24 3h3r s HIS 422 Cb -0.09 -0.02 0.02 0.00 -0.13 0.00 0.00 32.58 32.37 3h3r s HIS 422 CO 0.01 -0.49 -0.07 0.00 -2.47 0.00 0.00 174.74 171.72 3h3r s ALA 423 N -3.14 1.10 -0.17 1.58 0.00 -1.25 -0.66 121.76 119.22 3h3r s ALA 423 Ca -0.01 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.60 3h3r s ALA 423 Cb 0.02 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3h3r s ALA 423 CO -0.07 -0.23 -0.18 0.08 0.00 0.00 0.00 175.76 175.35 3h3r s VAL 424 N 1.37 1.93 0.39 0.00 1.01 0.38 -4.77 120.40 120.71 3h3r s VAL 424 Ca -0.02 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 3h3r s VAL 424 Cb -0.14 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 3h3r s VAL 424 CO -0.04 0.52 1.02 -0.75 0.00 0.00 0.00 175.10 175.86 3h3r s LYS 425 N 1.33 4.24 0.00 2.72 2.20 -1.26 -0.58 119.74 128.39 3h3r s LYS 425 Ca 0.05 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.11 3h3r s LYS 425 Cb -0.13 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 3h3r s LYS 425 CO -0.12 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 3h3r n GLY 426 N 0.30 0.56 3.15 5.54 0.00 -0.35 -4.91 105.19 109.48 3h3r n GLY 426 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3h3r n GLY 426 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h3r s VAL 427 N -2.14 0.81 0.30 1.61 -7.23 -1.26 -4.89 120.40 107.59 3h3r s VAL 427 Ca 0.00 -1.59 0.05 0.00 -1.81 0.00 0.00 61.98 58.62 3h3r s VAL 427 Cb 0.00 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.64 3h3r s VAL 427 CO 0.00 -0.59 0.44 0.42 -0.31 0.00 0.00 175.10 175.06 3h3r s THR 428 N -2.48 4.82 0.25 5.32 -4.23 -1.26 -3.44 115.64 114.62 3h3r s THR 428 Ca 0.04 -0.89 -0.03 0.00 -1.18 0.00 0.00 61.69 59.63 3h3r s THR 428 Cb -0.03 -3.71 0.23 0.00 1.34 0.00 0.00 72.50 70.34 3h3r s THR 428 CO -0.01 -0.31 1.81 1.23 -0.54 0.00 0.00 174.62 176.80 3h3r h GLY 429 N 0.98 1.34 0.83 3.99 0.00 -1.86 -1.69 103.07 106.67 3h3r h GLY 429 Ca -0.50 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 46.54 3h3r h GLY 429 CO 0.58 0.12 0.27 0.84 0.00 0.00 0.00 176.54 178.36 3h3r h HIS 430 N 0.81 0.51 -0.33 5.60 -0.00 -1.87 -0.59 115.15 119.27 3h3r h HIS 430 Ca 0.42 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.70 3h3r h HIS 430 Cb 0.41 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 3h3r h HIS 430 CO -0.06 0.28 -0.19 0.93 -0.00 0.00 0.00 177.93 178.89 3h3r h GLU 431 N 0.54 0.72 -0.60 5.26 5.08 -1.65 0.20 114.58 124.13 3h3r h GLU 431 Ca 0.20 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3h3r h GLU 431 Cb 0.06 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3h3r h GLU 431 CO -0.11 0.93 0.23 0.28 -1.00 0.00 0.00 179.01 179.35 3h3r h VAL 432 N 0.49 1.23 -0.62 3.13 2.07 -1.19 -0.78 116.25 120.58 3h3r h VAL 432 Ca 0.07 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 3h3r h VAL 432 Cb 0.74 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3h3r h VAL 432 CO 0.05 0.28 0.08 0.00 0.02 0.00 0.00 177.57 178.01 3h3r h ASN 434 N 0.95 -0.04 -0.23 0.00 -0.26 -0.56 -0.67 115.58 114.78 3h3r h ASN 434 Ca 0.19 0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.88 3h3r h ASN 434 Cb 0.46 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.72 3h3r h ASN 434 CO 0.02 -0.01 -0.04 1.88 -1.06 0.00 0.00 177.43 178.22 3h3r h TYR 435 N 0.00 0.59 -0.40 1.19 -1.99 -1.00 -0.17 116.97 115.20 3h3r h TYR 435 Ca 0.02 -0.07 -0.14 0.00 2.00 0.00 0.00 58.73 60.54 3h3r h TYR 435 Cb 0.03 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 3h3r h TYR 435 CO -0.11 0.60 -0.31 0.35 -0.00 0.00 0.00 178.16 178.69 3h3r h PHE 436 N 0.53 1.04 0.07 4.88 3.57 -0.79 -3.22 116.94 123.02 3h3r h PHE 436 Ca 0.11 -0.28 -0.25 0.00 3.53 0.00 0.00 57.97 61.08 3h3r h PHE 436 Cb 0.40 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3h3r h PHE 436 CO 0.01 1.08 -1.16 2.35 -2.23 0.00 0.00 178.31 178.36 3h3r h TRP 437 N 0.75 0.26 -3.14 0.41 7.01 -0.82 -3.46 115.95 116.96 3h3r h TRP 437 Ca 0.08 -0.19 -0.57 0.00 2.11 0.00 0.00 58.89 60.32 3h3r h TRP 437 Cb 0.88 -0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.88 3h3r h TRP 437 CO 0.05 1.16 1.08 1.21 -2.79 0.00 0.00 178.44 179.15 3h3r s ASN 438 N -6.92 6.35 0.52 2.65 3.84 -0.10 -4.86 114.94 116.42 3h3r s ASN 438 Ca -0.02 1.02 0.34 0.00 0.21 0.00 0.00 52.86 54.40 3h3r s ASN 438 Cb 0.08 -2.54 1.45 0.00 -0.55 0.00 0.00 41.25 39.69 3h3r s ASN 438 CO 0.85 -1.39 1.99 -0.37 -2.79 0.00 0.00 177.10 175.40 3h3r h VAL 439 N 6.39 0.00 0.00 -5.21 -1.51 -1.89 -2.66 116.25 111.37 3h3r h VAL 439 Ca -0.29 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3h3r h VAL 439 Cb 1.12 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 3h3r h VAL 439 CO 1.06 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.87 3h3r n ASP 440 N -2.97 0.51 -0.00 4.19 8.00 -1.26 -2.08 116.55 122.94 3h3r n ASP 440 Ca 0.00 0.68 0.00 0.00 0.71 0.00 0.00 54.79 56.18 3h3r n ASP 440 Cb 0.26 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 3h3r n ASP 440 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3h3r n VAL 441 N -2.12 0.96 -0.26 2.53 0.24 -1.00 -4.81 118.33 113.87 3h3r n VAL 441 Ca 0.00 -0.97 -0.02 0.00 -2.04 0.00 0.00 64.34 61.32 3h3r n VAL 441 Cb 0.12 0.51 0.10 0.00 -1.47 0.00 0.00 33.84 33.10 3h3r n VAL 441 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3h3r h ARG 442 N 0.00 0.82 0.00 7.34 9.65 -1.47 -1.29 114.38 129.43 3h3r h ARG 442 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3h3r h ARG 442 Cb 0.54 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 3h3r h ARG 442 CO 0.00 0.55 0.00 -0.91 2.80 0.00 0.00 179.97 182.41 3h3r h ASN 443 N 0.85 0.00 0.37 -3.80 -0.26 -1.86 0.39 115.58 111.26 3h3r h ASN 443 Ca 0.31 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 56.01 3h3r h ASN 443 Cb 0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 3h3r h ASN 443 CO -0.14 0.00 -0.19 0.44 -1.06 0.00 0.00 177.43 176.48 3h3r h ASP 444 N 0.00 0.00 0.00 5.81 3.32 -1.58 -3.39 116.42 120.58 3h3r h ASP 444 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h3r h ASP 444 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3h3r h ASP 444 CO 0.00 0.19 -0.48 -2.67 -1.72 0.00 0.00 179.24 174.55 3h3r n TRP 445 N -3.84 0.00 -2.60 4.55 4.27 -0.89 -5.06 117.44 113.88 3h3r n TRP 445 Ca -0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 3h3r n TRP 445 Cb 0.28 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.20 3h3r n TRP 445 CO 0.00 0.00 0.00 -2.00 -2.29 0.00 0.00 177.69 173.40 3h3r s GLU 446 N -1.37 4.55 0.00 -2.67 2.56 0.07 -4.73 118.70 117.11 3h3r s GLU 446 Ca 0.00 1.57 0.01 0.00 0.00 0.00 0.00 54.97 56.55 3h3r s GLU 446 Cb 0.00 -3.39 0.01 0.00 2.00 0.00 0.00 34.13 32.75 3h3r s GLU 446 CO 0.00 -0.05 0.56 0.25 -0.56 0.00 0.00 175.26 175.46 3h3r n THR 447 N 3.51 0.07 -0.01 -1.70 -2.24 -1.26 -4.76 114.28 107.89 3h3r n THR 447 Ca 0.06 -0.53 0.06 0.00 -2.27 0.00 0.00 64.05 61.36 3h3r n THR 447 Cb 0.49 0.98 0.13 0.00 -2.10 0.00 0.00 70.33 69.82 3h3r n THR 447 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3h3r n THR 448 N 0.01 0.74 -4.32 4.28 -2.24 -1.26 -4.94 114.28 106.55 3h3r n THR 448 Ca 0.00 -0.87 -0.35 0.00 -2.27 0.00 0.00 64.05 60.57 3h3r n THR 448 Cb 0.04 0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 68.87 3h3r n THR 448 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3h3r s ILE 449 N -0.98 4.44 -0.19 2.28 1.01 -1.26 -0.87 121.20 125.63 3h3r s ILE 449 Ca 0.21 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.45 3h3r s ILE 449 Cb 0.11 -2.88 -0.16 0.00 0.01 0.00 0.00 42.46 39.55 3h3r s ILE 449 CO 0.15 0.59 0.15 -0.08 0.00 0.00 0.00 174.94 175.76 3h3r h GLU 450 N 5.09 0.00 -3.57 2.79 4.81 -0.63 -3.42 114.58 119.65 3h3r h GLU 450 Ca -0.51 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.59 3h3r h GLU 450 Cb 1.20 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.39 3h3r h GLU 450 CO 0.55 0.77 -0.45 -0.80 -0.73 0.00 0.00 179.01 178.35 3h3r s ASN 451 N -6.57 0.05 0.11 1.04 0.01 -1.13 -4.99 114.94 103.46 3h3r s ASN 451 Ca -0.25 -0.33 -0.17 0.00 -0.71 0.00 0.00 52.86 51.41 3h3r s ASN 451 Cb 0.05 0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.99 3h3r s ASN 451 CO 0.51 -0.48 0.41 0.72 -1.51 0.00 0.00 177.10 176.74 3h3r s PHE 452 N -2.13 -0.22 0.12 2.20 -0.12 -1.26 -0.41 117.98 116.16 3h3r s PHE 452 Ca -0.09 -0.03 -0.19 0.00 -0.05 0.00 0.00 56.93 56.58 3h3r s PHE 452 Cb -0.03 0.25 0.05 0.00 -0.63 0.00 0.00 43.02 42.66 3h3r s PHE 452 CO -0.02 -0.67 0.47 -3.38 -0.05 0.00 0.00 175.22 171.57 3h3r s HIS 453 N -3.49 -0.32 -0.33 3.49 -3.43 0.35 -4.97 115.29 106.59 3h3r s HIS 453 Ca 0.01 0.09 -0.24 0.00 -0.80 0.00 0.00 55.06 54.11 3h3r s HIS 453 Cb 0.01 0.34 0.01 0.00 -1.43 0.00 0.00 32.58 31.51 3h3r s HIS 453 CO -0.10 -0.73 0.84 0.08 -2.00 0.00 0.00 174.74 172.83 3h3r s VAL 454 N -3.57 4.72 0.14 -5.38 1.01 -1.26 -1.15 120.40 114.92 3h3r s VAL 454 Ca 0.01 1.19 -0.09 0.00 0.00 0.00 0.00 61.98 63.09 3h3r s VAL 454 Cb 0.01 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 3h3r s VAL 454 CO -0.11 -0.35 1.44 0.58 0.00 0.00 0.00 175.10 176.66 3h3r h VAL 455 N 5.67 1.29 -1.89 2.92 2.07 -1.48 -3.47 116.25 121.35 3h3r h VAL 455 Ca -0.24 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 3h3r h VAL 455 Cb 1.09 1.65 -0.21 0.00 -1.52 0.00 0.00 31.29 32.30 3h3r h VAL 455 CO 0.92 0.56 0.25 -0.70 0.02 0.00 0.00 177.57 178.61 3h3r s GLU 456 N -4.11 0.83 -0.31 1.57 2.12 -1.19 -4.99 118.70 112.62 3h3r s GLU 456 Ca -0.10 0.60 -0.09 0.00 0.36 0.00 0.00 54.97 55.74 3h3r s GLU 456 Cb 0.10 0.40 -0.00 0.00 0.26 0.00 0.00 34.13 34.89 3h3r s GLU 456 CO 0.88 -0.18 0.14 0.99 -0.54 0.00 0.00 175.26 176.55 3h3r s THR 457 N -0.32 4.48 -0.04 -1.70 2.01 -1.26 -0.27 115.64 118.54 3h3r s THR 457 Ca -0.03 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.51 3h3r s THR 457 Cb -0.03 -3.31 -0.25 0.00 0.01 0.00 0.00 72.50 68.93 3h3r s THR 457 CO 0.03 0.05 0.67 -0.07 -0.69 0.00 0.00 174.62 174.61 3h3r h LEU 458 N 8.34 0.17 0.00 4.42 3.38 -1.35 -3.49 115.31 126.78 3h3r h LEU 458 Ca -0.32 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.43 3h3r h LEU 458 Cb 1.14 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3h3r h LEU 458 CO 0.62 1.29 0.44 0.00 0.09 0.00 0.00 178.44 180.87 3h3r n ALA 459 N -2.67 -2.08 0.28 1.53 0.00 -0.84 -4.62 120.51 112.11 3h3r n ALA 459 Ca -0.19 -0.89 0.17 0.00 0.00 0.00 0.00 53.44 52.53 3h3r n ALA 459 Cb 1.04 0.54 0.74 0.00 0.00 0.00 0.00 19.45 21.77 3h3r n ALA 459 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h3r h ASP 460 N 1.63 0.00 -0.09 0.00 3.45 -2.02 -2.79 116.42 116.61 3h3r h ASP 460 Ca -0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.22 3h3r h ASP 460 Cb 1.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.77 3h3r h ASP 460 CO 0.31 0.05 0.00 -0.46 -1.57 0.00 0.00 179.24 177.57 3h3r n ASN 461 N -3.20 2.73 -3.67 6.45 6.94 -1.26 -5.01 115.26 118.24 3h3r n ASN 461 Ca -0.00 -2.84 -0.09 0.00 -0.02 0.00 0.00 54.58 51.63 3h3r n ASN 461 Cb 0.28 -0.38 -0.09 0.00 -2.36 0.00 0.00 39.78 37.23 3h3r n ASN 461 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h3r s ALA 462 N -2.47 -1.32 0.05 -2.53 0.00 -1.05 -1.47 121.76 112.97 3h3r s ALA 462 Ca 0.29 1.79 -0.02 0.00 0.00 0.00 0.00 51.96 54.02 3h3r s ALA 462 Cb 0.24 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 3h3r s ALA 462 CO 0.05 -0.42 0.01 0.96 0.00 0.00 0.00 175.76 176.36 3h3r s ILE 463 N 1.76 0.20 -0.14 0.00 -4.36 -0.53 -0.85 121.20 117.28 3h3r s ILE 463 Ca -0.08 -1.61 -0.03 0.00 -0.26 0.00 0.00 60.65 58.66 3h3r s ILE 463 Cb -0.08 -1.38 -0.03 0.00 1.25 0.00 0.00 42.46 42.22 3h3r s ILE 463 CO -0.15 -0.89 -0.04 -0.63 0.24 0.00 0.00 174.94 173.47 3h3r s ILE 464 N -3.68 3.86 -0.03 8.37 1.01 0.63 0.06 121.20 131.42 3h3r s ILE 464 Ca 0.05 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.39 3h3r s ILE 464 Cb 0.06 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3h3r s ILE 464 CO -0.09 0.51 -0.23 -0.63 0.00 0.00 0.00 174.94 174.50 3h3r s ILE 465 N 0.17 1.86 -0.12 2.92 1.01 0.22 -1.14 121.20 126.12 3h3r s ILE 465 Ca -0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.63 3h3r s ILE 465 Cb -0.14 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 3h3r s ILE 465 CO 0.03 0.52 -0.11 -0.47 0.00 0.00 0.00 174.94 174.91 3h3r s TYR 466 N -0.46 2.84 0.02 3.97 5.04 -0.30 -0.92 117.35 127.55 3h3r s TYR 466 Ca 0.07 -0.46 -0.13 0.00 -2.44 0.00 0.00 57.07 54.10 3h3r s TYR 466 Cb -0.10 -1.82 0.02 0.00 0.35 0.00 0.00 41.96 40.40 3h3r s TYR 466 CO -0.00 -0.08 0.28 1.14 -1.34 0.00 0.00 175.55 175.54 3h3r s GLN 467 N 0.11 0.73 0.01 4.97 -2.07 -0.59 -0.49 119.66 122.33 3h3r s GLN 467 Ca -0.05 -0.42 0.07 0.00 -1.82 0.00 0.00 55.36 53.13 3h3r s GLN 467 Cb -0.15 0.31 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 3h3r s GLN 467 CO 0.04 -0.22 -0.19 0.95 -1.32 0.00 0.00 175.29 174.56 3h3r s THR 468 N -2.10 2.71 0.12 3.63 -4.23 0.45 -1.29 115.64 114.93 3h3r s THR 468 Ca -0.08 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.39 3h3r s THR 468 Cb -0.03 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 3h3r s THR 468 CO -0.01 0.43 0.13 -1.00 -0.54 0.00 0.00 174.62 173.64 3h3r s HIS 469 N -0.83 3.22 0.58 3.99 3.76 -0.48 0.05 115.29 125.58 3h3r s HIS 469 Ca 0.13 0.05 -0.20 0.00 -0.15 0.00 0.00 55.06 54.89 3h3r s HIS 469 Cb -0.10 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 3h3r s HIS 469 CO 0.03 0.52 1.20 1.63 -0.85 0.00 0.00 174.74 177.28 3h3r n LYS 470 N -0.02 1.30 -0.86 1.40 5.02 -0.05 -4.48 118.16 120.47 3h3r n LYS 470 Ca -0.08 0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 56.37 3h3r n LYS 470 Cb 0.53 -2.41 -0.04 0.00 -0.02 0.00 0.00 35.03 33.09 3h3r n LYS 470 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h3r n ARG 471 N -1.14 1.43 0.11 1.97 1.74 -1.26 -4.59 116.66 114.93 3h3r n ARG 471 Ca 0.13 -1.53 0.12 0.00 -0.77 0.00 0.00 57.85 55.79 3h3r n ARG 471 Cb 0.46 -2.65 0.47 0.00 -1.02 0.00 0.00 32.46 29.71 3h3r n ARG 471 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3h3r n VAL 472 N 5.42 0.80 -4.10 1.55 0.24 -1.26 -4.72 118.33 116.26 3h3r n VAL 472 Ca 0.44 0.16 -0.27 0.00 -2.04 0.00 0.00 64.34 62.63 3h3r n VAL 472 Cb 0.28 -1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 31.54 3h3r n VAL 472 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3h3r s TRP 473 N -3.25 3.11 -1.33 6.34 0.51 -1.26 -4.97 118.94 118.09 3h3r s TRP 473 Ca 0.05 -0.03 -0.16 0.00 -2.12 0.00 0.00 56.10 53.85 3h3r s TRP 473 Cb 0.10 -1.50 0.01 0.00 -0.81 0.00 0.00 33.47 31.27 3h3r s TRP 473 CO 0.41 0.52 2.10 -0.35 -0.51 0.00 0.00 176.95 179.12 3h3r n PRO 474 N -0.27 2.68 -3.82 4.98 -0.04 -1.26 -4.80 135.00 132.47 3h3r n PRO 474 Ca -0.08 -2.60 -0.02 0.00 -0.04 0.00 0.00 63.50 60.76 3h3r n PRO 474 Cb 0.55 -3.28 0.02 0.00 -0.04 0.00 0.00 33.50 30.74 3h3r n PRO 474 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h3r n ALA 475 N 6.88 -2.71 -1.06 0.55 0.00 -1.26 -4.81 120.51 118.11 3h3r n ALA 475 Ca 0.51 -0.98 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 3h3r n ALA 475 Cb 0.40 0.51 0.13 0.00 0.00 0.00 0.00 19.45 20.50 3h3r n ALA 475 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h3r s SER 476 N -3.42 3.48 0.42 0.00 0.01 -1.26 -4.95 113.70 107.98 3h3r s SER 476 Ca 0.23 2.36 -0.25 0.00 1.31 0.00 0.00 55.95 59.60 3h3r s SER 476 Cb -0.03 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.54 3h3r s SER 476 CO 0.05 -2.74 1.25 -1.58 0.41 0.00 0.00 173.24 170.63 3h3r s GLN 477 N -4.19 3.92 -0.02 12.44 0.74 -1.26 -4.82 119.66 126.47 3h3r s GLN 477 Ca 0.73 2.02 -0.01 0.00 0.05 0.00 0.00 55.36 58.15 3h3r s GLN 477 Cb -0.28 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 3h3r s GLN 477 CO 0.51 -0.49 0.07 1.03 -0.55 0.00 0.00 175.29 175.86 3h3r s ARG 478 N -2.35 3.04 0.39 1.67 3.00 -1.26 -1.41 118.95 122.04 3h3r s ARG 478 Ca 0.59 -0.48 0.08 0.00 0.00 0.00 0.00 55.73 55.92 3h3r s ARG 478 Cb -0.35 -2.85 -0.08 0.00 0.00 0.00 0.00 34.95 31.68 3h3r s ARG 478 CO 0.44 0.66 -0.02 0.16 0.00 0.00 0.00 175.30 176.54 3h3r s ASP 479 N -1.61 3.85 -0.01 0.23 1.47 -0.72 -1.38 116.67 118.49 3h3r s ASP 479 Ca 0.21 -1.32 -0.15 0.00 1.18 0.00 0.00 52.55 52.47 3h3r s ASP 479 Cb -0.12 -0.39 0.02 0.00 -0.34 0.00 0.00 42.92 42.10 3h3r s ASP 479 CO 0.12 -0.38 0.33 0.54 0.68 0.00 0.00 175.17 176.45 3h3r s VAL 480 N -2.68 0.06 -0.19 2.11 0.11 -0.41 -0.50 120.40 118.90 3h3r s VAL 480 Ca 0.34 -0.48 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 3h3r s VAL 480 Cb 0.08 -0.69 0.06 0.00 -1.53 0.00 0.00 36.38 34.31 3h3r s VAL 480 CO 0.18 -0.27 0.08 -0.22 -3.33 0.00 0.00 175.10 171.54 3h3r s LEU 481 N -1.44 0.61 0.03 2.54 2.96 -1.26 -1.54 118.68 120.57 3h3r s LEU 481 Ca -0.12 -0.72 0.02 0.00 -0.22 0.00 0.00 54.13 53.08 3h3r s LEU 481 Cb -0.04 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.28 3h3r s LEU 481 CO 0.03 -0.34 -0.06 -0.72 -1.32 0.00 0.00 176.35 173.94 3h3r s TYR 482 N 2.05 0.51 -0.02 5.38 -0.85 -0.10 -2.21 117.35 122.13 3h3r s TYR 482 Ca 0.02 -0.39 -0.24 0.00 -0.52 0.00 0.00 57.07 55.94 3h3r s TYR 482 Cb -0.16 -0.32 -0.05 0.00 0.38 0.00 0.00 41.96 41.81 3h3r s TYR 482 CO -0.11 -0.08 0.71 -1.17 -1.52 0.00 0.00 175.55 173.38 3h3r s LEU 483 N -1.17 4.38 -0.16 -3.49 0.20 0.76 0.73 118.68 119.93 3h3r s LEU 483 Ca -0.08 1.29 0.01 0.00 0.69 0.00 0.00 54.13 56.03 3h3r s LEU 483 Cb -0.08 -3.12 0.02 0.00 -0.43 0.00 0.00 46.19 42.58 3h3r s LEU 483 CO -0.00 -0.04 -0.18 -0.55 -0.29 0.00 0.00 176.35 175.29 3h3r s SER 484 N 0.34 2.95 -0.02 3.68 0.15 0.11 -1.51 113.70 119.39 3h3r s SER 484 Ca 0.37 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.46 3h3r s SER 484 Cb -0.19 -1.36 -0.00 0.00 -1.71 0.00 0.00 66.02 62.76 3h3r s SER 484 CO 0.20 -0.01 -0.10 0.54 1.20 0.00 0.00 173.24 175.07 3h3r s VAL 485 N 1.31 0.80 -0.16 4.45 0.11 -0.66 -1.46 120.40 124.80 3h3r s VAL 485 Ca 0.04 -0.39 -0.02 0.00 -2.93 0.00 0.00 61.98 58.68 3h3r s VAL 485 Cb -0.13 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 3h3r s VAL 485 CO -0.11 0.24 -0.08 -0.51 -3.33 0.00 0.00 175.10 171.32 3h3r s ILE 486 N 0.06 3.46 0.05 7.04 2.07 -0.54 -1.37 121.20 131.97 3h3r s ILE 486 Ca -0.01 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.75 3h3r s ILE 486 Cb -0.07 -2.50 -0.03 0.00 0.13 0.00 0.00 42.46 39.99 3h3r s ILE 486 CO 0.00 0.49 -0.09 -0.13 -1.91 0.00 0.00 174.94 173.30 3h3r s ARG 487 N 0.57 0.60 -0.15 3.50 0.52 -0.27 -4.85 118.95 118.86 3h3r s ARG 487 Ca -0.05 -0.82 -0.05 0.00 -0.52 0.00 0.00 55.73 54.30 3h3r s ARG 487 Cb -0.15 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 34.89 3h3r s ARG 487 CO 0.03 0.07 0.00 0.21 0.02 0.00 0.00 175.30 175.64 3h3r s LYS 488 N -1.68 3.67 -0.31 3.54 2.20 -1.26 -1.38 119.74 124.52 3h3r s LYS 488 Ca -0.08 -0.44 -0.09 0.00 -0.36 0.00 0.00 55.97 55.00 3h3r s LYS 488 Cb -0.10 -3.00 -0.00 0.00 -1.51 0.00 0.00 37.83 33.22 3h3r s LYS 488 CO 0.01 0.33 0.14 0.42 -0.36 0.00 0.00 175.35 175.88 3h3r s ILE 489 N 0.16 4.45 0.70 5.43 -1.09 0.27 -4.98 121.20 126.13 3h3r s ILE 489 Ca 0.01 -0.51 -0.16 0.00 -2.23 0.00 0.00 60.65 57.77 3h3r s ILE 489 Cb -0.13 -3.28 0.02 0.00 -1.58 0.00 0.00 42.46 37.49 3h3r s ILE 489 CO 0.02 0.06 1.19 -2.16 -1.23 0.00 0.00 174.94 172.82 3h3r s PRO 490 N 1.58 2.38 0.32 2.79 0.04 -1.26 -1.02 135.00 139.83 3h3r s PRO 490 Ca 0.04 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 3h3r s PRO 490 Cb -0.17 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3h3r s PRO 490 CO 0.05 -1.64 0.74 0.00 0.04 0.00 0.00 177.00 176.19 3h3r s ALA 491 N -1.97 3.32 0.24 8.56 0.00 -1.26 -4.78 121.76 125.88 3h3r s ALA 491 Ca 0.74 0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.83 3h3r s ALA 491 Cb -0.28 -2.77 0.25 0.00 0.00 0.00 0.00 23.12 20.31 3h3r s ALA 491 CO 0.43 0.33 1.55 -0.07 0.00 0.00 0.00 175.76 178.00 3h3r h LEU 492 N 2.30 0.05 -8.49 0.00 3.38 -1.90 -3.45 115.31 107.20 3h3r h LEU 492 Ca -0.48 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.23 3h3r h LEU 492 Cb 1.18 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 3h3r h LEU 492 CO 0.65 0.72 -0.67 0.42 0.09 0.00 0.00 178.44 179.65 3h3r s THR 493 N -3.49 0.47 -1.30 0.22 -4.23 -1.26 -5.03 115.64 101.02 3h3r s THR 493 Ca -0.01 -1.93 0.21 0.00 -1.18 0.00 0.00 61.69 58.77 3h3r s THR 493 Cb 0.12 -1.91 0.30 0.00 1.34 0.00 0.00 72.50 72.35 3h3r s THR 493 CO 0.78 -0.64 1.65 -0.62 -0.54 0.00 0.00 174.62 175.25 3h3r n GLU 494 N -0.11 0.20 0.14 3.99 1.02 -1.26 -2.15 120.64 122.47 3h3r n GLU 494 Ca -0.09 0.11 0.13 0.00 -0.02 0.00 0.00 57.16 57.29 3h3r n GLU 494 Cb 0.62 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.96 3h3r n GLU 494 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3h3r h ASN 495 N 0.00 0.00 -2.54 1.62 -0.26 -1.99 -3.46 115.58 108.95 3h3r h ASN 495 Ca 0.00 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.18 3h3r h ASN 495 Cb 0.24 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.42 3h3r h ASN 495 CO 0.00 0.00 -0.60 -1.81 -1.06 0.00 0.00 177.43 173.96 3h3r s ASP 496 N -4.75 5.12 0.32 5.81 1.01 -0.91 -5.12 116.67 118.16 3h3r s ASP 496 Ca 0.08 -0.33 -0.28 0.00 0.71 0.00 0.00 52.55 52.73 3h3r s ASP 496 Cb 0.10 -1.20 -0.09 0.00 1.01 0.00 0.00 42.92 42.74 3h3r s ASP 496 CO 0.55 0.04 1.10 -2.16 0.21 0.00 0.00 175.17 174.91 3h3r s PRO 497 N -3.35 4.46 0.68 8.23 0.04 -1.26 -4.83 135.00 138.97 3h3r s PRO 497 Ca 0.30 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.95 3h3r s PRO 497 Cb -0.09 -2.98 0.01 0.00 0.04 0.00 0.00 34.50 31.49 3h3r s PRO 497 CO 0.22 0.06 1.12 -1.21 0.04 0.00 0.00 177.00 177.23 3h3r s GLU 498 N -1.79 2.65 -0.11 4.56 2.02 -1.26 -4.49 118.70 120.28 3h3r s GLU 498 Ca 0.49 1.40 0.02 0.00 0.02 0.00 0.00 54.97 56.90 3h3r s GLU 498 Cb -0.30 -1.93 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 3h3r s GLU 498 CO 0.38 -1.37 -0.18 0.99 0.02 0.00 0.00 175.26 175.11 3h3r s THR 499 N -2.38 2.63 -0.07 3.63 2.01 -0.19 -4.36 115.64 116.92 3h3r s THR 499 Ca 0.67 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.86 3h3r s THR 499 Cb -0.21 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 3h3r s THR 499 CO 0.44 0.55 -0.09 0.26 -0.69 0.00 0.00 174.62 175.09 3h3r s TRP 500 N 0.20 2.89 -0.00 4.92 0.52 -0.67 0.94 118.94 127.73 3h3r s TRP 500 Ca -0.11 -0.03 -0.00 0.00 0.02 0.00 0.00 56.10 55.98 3h3r s TRP 500 Cb -0.16 -1.70 0.00 0.00 -1.15 0.00 0.00 33.47 30.47 3h3r s TRP 500 CO 0.06 0.29 0.01 -1.50 0.02 0.00 0.00 176.95 175.83 3h3r s ILE 501 N -0.77 -0.01 -0.15 2.03 2.07 -0.48 -0.37 121.20 123.53 3h3r s ILE 501 Ca 0.12 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.37 3h3r s ILE 501 Cb -0.11 -0.02 -0.01 0.00 0.13 0.00 0.00 42.46 42.45 3h3r s ILE 501 CO 0.01 0.01 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.25 3h3r s VAL 502 N 0.09 3.11 -0.19 4.00 1.01 -0.58 -1.12 120.40 126.73 3h3r s VAL 502 Ca -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 3h3r s VAL 502 Cb -0.01 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3h3r s VAL 502 CO -0.00 0.50 -0.03 0.00 0.00 0.00 0.00 175.10 175.57 3h3r s ASN 504 N 0.88 4.51 -0.05 0.00 0.02 0.06 -1.66 114.94 118.71 3h3r s ASN 504 Ca -0.00 -0.65 -0.04 0.00 -1.02 0.00 0.00 52.86 51.15 3h3r s ASN 504 Cb -0.14 -1.75 0.02 0.00 0.02 0.00 0.00 41.25 39.39 3h3r s ASN 504 CO 0.02 -0.10 0.12 0.72 0.02 0.00 0.00 177.10 177.87 3h3r s PHE 505 N 1.43 -0.13 0.19 2.20 -0.12 -0.57 -0.72 117.98 120.26 3h3r s PHE 505 Ca 0.03 0.34 -0.33 0.00 -0.05 0.00 0.00 56.93 56.92 3h3r s PHE 505 Cb -0.16 0.02 -0.13 0.00 -0.63 0.00 0.00 43.02 42.12 3h3r s PHE 505 CO -0.02 -0.08 1.59 0.43 -0.05 0.00 0.00 175.22 177.09 3h3r n SER 506 N 3.24 3.30 -4.31 1.98 7.64 -0.89 -0.17 113.62 124.40 3h3r n SER 506 Ca -0.15 1.09 -0.28 0.00 1.01 0.00 0.00 58.87 60.54 3h3r n SER 506 Cb 0.58 -1.47 -0.08 0.00 -1.01 0.00 0.00 64.21 62.23 3h3r n SER 506 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3h3r s VAL 507 N 0.77 0.79 0.10 0.44 -7.23 -0.94 -4.81 120.40 109.51 3h3r s VAL 507 Ca 0.76 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.96 3h3r s VAL 507 Cb -0.62 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 3h3r s VAL 507 CO 0.39 0.00 0.08 -1.81 -0.31 0.00 0.00 175.10 173.45 3h3r s ASP 508 N -3.69 5.45 -0.16 4.85 1.01 -1.26 -4.68 116.67 118.19 3h3r s ASP 508 Ca 0.18 -0.06 -0.13 0.00 0.71 0.00 0.00 52.55 53.26 3h3r s ASP 508 Cb 0.02 -1.43 0.05 0.00 1.01 0.00 0.00 42.92 42.57 3h3r s ASP 508 CO 0.11 0.15 0.41 -2.28 0.21 0.00 0.00 175.17 173.77 3h3r s HIS 509 N -1.45 -0.50 0.45 4.23 2.46 -1.26 -5.04 115.29 114.18 3h3r s HIS 509 Ca 0.29 1.16 0.12 0.00 0.47 0.00 0.00 55.06 57.10 3h3r s HIS 509 Cb -0.12 0.19 1.04 0.00 -0.13 0.00 0.00 32.58 33.56 3h3r s HIS 509 CO 0.22 -0.26 2.07 -0.44 -2.47 0.00 0.00 174.74 173.86 3h3r h ASP 510 N 6.00 0.29 0.46 9.88 3.32 -2.01 -2.10 116.42 132.25 3h3r h ASP 510 Ca -0.30 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3h3r h ASP 510 Cb 1.18 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3h3r h ASP 510 CO 0.26 0.20 -0.02 -1.20 -1.72 0.00 0.00 179.24 176.77 3h3r n SER 511 N -4.49 0.07 -3.29 6.45 7.64 -1.26 -4.09 113.62 114.65 3h3r n SER 511 Ca 0.03 -0.33 -0.25 0.00 1.01 0.00 0.00 58.87 59.33 3h3r n SER 511 Cb 0.16 -0.21 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 3h3r n SER 511 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h3r n ALA 512 N -1.20 2.79 -1.77 -0.43 0.00 -0.79 -5.13 120.51 113.98 3h3r n ALA 512 Ca 0.16 -3.58 -0.29 0.00 0.00 0.00 0.00 53.44 49.72 3h3r n ALA 512 Cb 0.23 -0.82 0.10 0.00 0.00 0.00 0.00 19.45 18.96 3h3r n ALA 512 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h3r s PRO 513 N -1.12 1.75 0.59 0.00 0.04 -1.25 -4.58 135.00 130.43 3h3r s PRO 513 Ca 0.35 0.20 -0.18 0.00 0.04 0.00 0.00 61.00 61.41 3h3r s PRO 513 Cb 0.13 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 3h3r s PRO 513 CO -0.12 -1.76 0.67 1.28 0.04 0.00 0.00 177.00 177.11 3h3r n LEU 514 N -3.45 1.80 -4.63 -3.56 4.77 -1.26 -4.99 117.00 105.68 3h3r n LEU 514 Ca 0.07 0.75 -0.27 0.00 -0.03 0.00 0.00 56.01 56.53 3h3r n LEU 514 Cb 0.60 -1.25 -0.08 0.00 -2.33 0.00 0.00 43.42 40.36 3h3r n LEU 514 CO 0.57 -2.66 -0.36 0.21 -1.33 0.00 0.00 177.39 173.82 3h3r s ASN 515 N -1.22 4.63 0.08 -1.43 3.84 -1.26 -5.04 114.94 114.53 3h3r s ASN 515 Ca 0.71 -0.42 -0.16 0.00 0.21 0.00 0.00 52.86 53.20 3h3r s ASN 515 Cb -0.43 -0.94 -0.12 0.00 -0.55 0.00 0.00 41.25 39.21 3h3r s ASN 515 CO 0.52 0.11 1.35 0.78 -2.79 0.00 0.00 177.10 177.06 3h3r h ASN 516 N 2.89 0.70 0.71 -4.21 2.35 -2.04 -3.38 115.58 112.59 3h3r h ASN 516 Ca -0.47 -0.53 -0.26 0.00 -0.55 0.00 0.00 56.30 54.48 3h3r h ASN 516 Cb 1.20 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 3h3r h ASN 516 CO 0.57 1.10 -1.28 0.03 -1.65 0.00 0.00 177.43 176.20 3h3r h ARG 517 N 0.32 0.13 -6.61 0.81 3.08 -1.97 -3.47 114.38 106.68 3h3r h ARG 517 Ca 0.01 -0.23 -0.66 0.00 0.07 0.00 0.00 59.98 59.18 3h3r h ARG 517 Cb 0.97 0.09 -0.17 0.00 0.08 0.00 0.00 29.97 30.93 3h3r h ARG 517 CO 0.08 1.03 -0.77 0.00 -1.07 0.00 0.00 179.97 179.24 3h3r s VAL 519 N -1.36 5.07 -0.54 0.00 1.01 -0.50 -4.48 120.40 119.60 3h3r s VAL 519 Ca 0.21 1.22 -0.27 0.00 0.00 0.00 0.00 61.98 63.14 3h3r s VAL 519 Cb -0.10 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.38 3h3r s VAL 519 CO 0.12 0.32 1.09 -0.60 0.00 0.00 0.00 175.10 176.03 3h3r s ARG 520 N 0.51 3.51 0.70 2.72 6.06 -1.26 -1.76 118.95 129.43 3h3r s ARG 520 Ca 0.32 0.18 -0.11 0.00 -2.50 0.00 0.00 55.73 53.62 3h3r s ARG 520 Cb -0.17 -3.99 0.01 0.00 0.06 0.00 0.00 34.95 30.86 3h3r s ARG 520 CO 0.15 -1.52 1.06 0.00 -2.50 0.00 0.00 175.30 172.49 3h3r s ALA 521 N 4.48 2.68 0.02 6.12 0.00 0.34 -4.45 121.76 130.95 3h3r s ALA 521 Ca 0.40 0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.45 3h3r s ALA 521 Cb -0.09 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 3h3r s ALA 521 CO 0.25 -1.22 -0.20 0.15 0.00 0.00 0.00 175.76 174.74 3h3r s LYS 522 N -5.08 1.43 0.09 0.00 -0.14 -0.67 -4.62 119.74 110.75 3h3r s LYS 522 Ca 0.58 -0.82 0.01 0.00 -1.36 0.00 0.00 55.97 54.38 3h3r s LYS 522 Cb -0.14 -1.47 -0.04 0.00 -1.68 0.00 0.00 37.83 34.50 3h3r s LYS 522 CO 0.55 0.39 -0.06 0.96 -0.76 0.00 0.00 175.35 176.42 3h3r s ILE 523 N -0.65 0.62 -0.29 2.17 -4.36 -1.26 0.15 121.20 117.58 3h3r s ILE 523 Ca 0.07 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 3h3r s ILE 523 Cb -0.08 -1.66 0.15 0.00 1.25 0.00 0.00 42.46 42.11 3h3r s ILE 523 CO 0.01 -0.89 0.35 0.21 0.24 0.00 0.00 174.94 174.85 3h3r s ASN 524 N -3.03 1.09 0.08 4.36 2.47 -0.17 -2.10 114.94 117.65 3h3r s ASN 524 Ca 0.11 -0.58 0.08 0.00 0.42 0.00 0.00 52.86 52.89 3h3r s ASN 524 Cb 0.06 0.78 -0.03 0.00 -1.45 0.00 0.00 41.25 40.60 3h3r s ASN 524 CO -0.05 -0.37 -0.20 -0.69 -3.72 0.00 0.00 177.10 172.06 3h3r s VAL 525 N 2.44 1.63 -0.09 -5.21 1.01 0.11 -1.12 120.40 119.18 3h3r s VAL 525 Ca 0.10 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.63 3h3r s VAL 525 Cb -0.13 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.82 3h3r s VAL 525 CO -0.31 0.01 0.20 0.00 0.00 0.00 0.00 175.10 175.00 3h3r s ALA 526 N -1.05 -0.43 -0.30 5.51 0.00 -0.34 -0.76 121.76 124.38 3h3r s ALA 526 Ca 0.06 0.83 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 3h3r s ALA 526 Cb -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3h3r s ALA 526 CO 0.03 -0.17 0.12 1.41 0.00 0.00 0.00 175.76 177.15 3h3r s MET 527 N 1.11 3.22 -0.15 0.00 1.75 -0.48 -0.79 119.30 123.96 3h3r s MET 527 Ca -0.08 -0.78 -0.00 0.00 -1.25 0.00 0.00 55.69 53.57 3h3r s MET 527 Cb -0.10 -3.48 -0.00 0.00 2.84 0.00 0.00 34.83 34.09 3h3r s MET 527 CO -0.07 -0.43 -0.14 0.42 -0.65 0.00 0.00 175.02 174.15 3h3r s ILE 528 N 1.56 2.77 0.00 10.11 1.01 0.13 -1.52 121.20 135.26 3h3r s ILE 528 Ca 0.04 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.98 3h3r s ILE 528 Cb -0.17 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 3h3r s ILE 528 CO 0.04 0.51 -0.10 0.00 0.00 0.00 0.00 174.94 175.40 3h3r s GLN 530 N -0.43 0.54 -0.15 0.00 -0.21 -0.32 -1.67 119.66 117.41 3h3r s GLN 530 Ca 0.02 -0.17 -0.17 0.00 0.02 0.00 0.00 55.36 55.06 3h3r s GLN 530 Cb -0.05 -0.55 -0.04 0.00 1.00 0.00 0.00 33.01 33.38 3h3r s GLN 530 CO -0.00 0.06 0.44 0.99 -2.12 0.00 0.00 175.29 174.66 3h3r s THR 531 N 0.17 5.20 -0.05 -0.19 2.01 -1.26 -0.59 115.64 120.94 3h3r s THR 531 Ca -0.02 0.85 -0.03 0.00 0.31 0.00 0.00 61.69 62.80 3h3r s THR 531 Cb -0.06 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3h3r s THR 531 CO -0.00 0.31 0.12 -0.76 -0.69 0.00 0.00 174.62 173.60 3h3r s LEU 532 N 0.82 4.14 0.08 4.42 1.43 0.00 -4.70 118.68 124.87 3h3r s LEU 532 Ca 0.23 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 3h3r s LEU 532 Cb -0.15 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 3h3r s LEU 532 CO 0.09 0.32 -0.15 0.68 0.23 0.00 0.00 176.35 177.52 3h3r s VAL 533 N -1.16 1.19 -0.40 -1.59 -7.23 -1.26 -1.84 120.40 108.11 3h3r s VAL 533 Ca 0.21 -1.38 0.03 0.00 -1.81 0.00 0.00 61.98 59.02 3h3r s VAL 533 Cb -0.12 -1.18 0.16 0.00 0.56 0.00 0.00 36.38 35.80 3h3r s VAL 533 CO 0.11 -0.24 0.30 -0.55 -0.31 0.00 0.00 175.10 174.42 3h3r s SER 534 N -1.85 2.17 0.54 4.85 0.15 -0.11 -5.02 113.70 114.42 3h3r s SER 534 Ca 0.00 -2.79 -0.21 0.00 0.70 0.00 0.00 55.95 53.65 3h3r s SER 534 Cb -0.09 -0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 3h3r s SER 534 CO 0.02 -0.22 1.27 -2.84 1.20 0.00 0.00 173.24 172.68 3h3r s PRO 535 N 0.34 3.24 0.83 5.44 0.02 -1.26 -4.69 135.00 138.92 3h3r s PRO 535 Ca 0.27 2.01 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 3h3r s PRO 535 Cb -0.07 -2.20 0.09 0.00 0.02 0.00 0.00 34.50 32.34 3h3r s PRO 535 CO -0.12 -1.04 1.10 -1.25 -0.33 0.00 0.00 177.00 175.36 3h3r s PRO 536 N -2.97 1.80 0.38 5.54 0.04 -1.26 -4.95 135.00 133.58 3h3r s PRO 536 Ca 0.71 0.66 0.16 0.00 0.04 0.00 0.00 61.00 62.58 3h3r s PRO 536 Cb -0.35 -1.88 0.75 0.00 0.04 0.00 0.00 34.50 33.06 3h3r s PRO 536 CO 0.40 -1.82 1.80 1.49 0.04 0.00 0.00 177.00 178.91 3h3r h GLU 537 N -1.24 0.00 0.00 4.56 4.81 -1.93 -3.47 114.58 117.32 3h3r h GLU 537 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3h3r h GLU 537 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3h3r h GLU 537 CO 0.58 0.38 0.00 0.41 -0.73 0.00 0.00 179.01 179.65 3h3r n GLY 538 N -0.16 1.62 0.16 1.92 0.00 -1.26 -5.02 105.19 102.46 3h3r n GLY 538 Ca -0.01 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.02 3h3r n GLY 538 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h3r h ASN 539 N 0.00 0.00 -3.83 1.61 -0.26 -2.05 -3.46 115.58 107.59 3h3r h ASN 539 Ca 0.00 0.00 -0.48 0.00 -0.56 0.00 0.00 56.30 55.26 3h3r h ASN 539 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 3h3r h ASN 539 CO 0.00 0.00 0.34 -1.10 -1.06 0.00 0.00 177.43 175.61 3h3r s GLN 540 N -3.23 4.68 0.46 0.81 1.11 -1.26 -5.07 119.66 117.17 3h3r s GLN 540 Ca 0.08 1.38 -0.20 0.00 0.01 0.00 0.00 55.36 56.63 3h3r s GLN 540 Cb 0.09 -2.98 -0.10 0.00 -1.01 0.00 0.00 33.01 29.02 3h3r s GLN 540 CO 0.59 0.37 0.99 -1.21 0.01 0.00 0.00 175.29 176.04 3h3r s GLU 541 N -1.73 4.02 0.01 2.91 2.02 -1.26 -4.73 118.70 119.94 3h3r s GLU 541 Ca 0.47 1.22 -0.37 0.00 0.02 0.00 0.00 54.97 56.30 3h3r s GLU 541 Cb -0.21 -2.14 -0.16 0.00 0.10 0.00 0.00 34.13 31.72 3h3r s GLU 541 CO 0.27 -0.22 1.46 -0.89 0.02 0.00 0.00 175.26 175.90 3h3r n ILE 542 N -0.84 0.08 -4.29 -1.63 5.41 -1.26 -4.90 119.36 111.93 3h3r n ILE 542 Ca 0.08 -0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.68 3h3r n ILE 542 Cb 0.53 -1.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.44 3h3r n ILE 542 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3h3r n SER 543 N 3.34 2.29 0.00 4.38 3.41 -1.26 -5.02 113.62 120.76 3h3r n SER 543 Ca 0.20 -1.92 0.11 0.00 -0.26 0.00 0.00 58.87 57.00 3h3r n SER 543 Cb 0.19 0.20 0.56 0.00 -0.26 0.00 0.00 64.21 64.90 3h3r n SER 543 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h3r n ARG 544 N -0.50 0.21 0.00 4.33 1.74 -1.26 -1.59 116.66 119.59 3h3r n ARG 544 Ca -0.08 0.08 0.13 0.00 -0.77 0.00 0.00 57.85 57.22 3h3r n ARG 544 Cb 0.26 -1.50 0.59 0.00 -1.02 0.00 0.00 32.46 30.79 3h3r n ARG 544 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3h3r n ASP 545 N -1.37 0.00 -1.21 0.55 8.00 -1.26 -3.11 116.55 118.15 3h3r n ASP 545 Ca 0.09 0.49 0.09 0.00 0.71 0.00 0.00 54.79 56.17 3h3r n ASP 545 Cb 0.22 -0.50 0.29 0.00 -0.02 0.00 0.00 41.12 41.11 3h3r n ASP 545 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3h3r n ASN 546 N -1.50 4.03 -4.18 -2.24 4.13 -0.62 -4.94 115.26 109.95 3h3r n ASN 546 Ca 0.07 -2.31 -0.17 0.00 1.68 0.00 0.00 54.58 53.84 3h3r n ASN 546 Cb 0.32 -0.47 -0.12 0.00 -1.54 0.00 0.00 39.78 37.98 3h3r n ASN 546 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3h3r s ILE 547 N -1.58 1.08 -0.08 2.41 -4.36 -1.21 -0.94 121.20 116.53 3h3r s ILE 547 Ca 0.42 -1.42 -0.06 0.00 -0.26 0.00 0.00 60.65 59.33 3h3r s ILE 547 Cb 0.26 -1.17 0.03 0.00 1.25 0.00 0.00 42.46 42.83 3h3r s ILE 547 CO 0.22 -0.33 0.20 -0.22 0.24 0.00 0.00 174.94 175.06 3h3r s LEU 548 N -1.98 1.07 -0.24 0.37 2.96 -0.77 -1.21 118.68 118.88 3h3r s LEU 548 Ca 0.01 0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 3h3r s LEU 548 Cb -0.08 0.67 -0.03 0.00 0.50 0.00 0.00 46.19 47.25 3h3r s LEU 548 CO 0.02 -0.09 0.09 0.00 -1.32 0.00 0.00 176.35 175.05 3h3r s LYS 550 N 1.36 4.12 -0.09 0.00 -0.14 0.25 -0.47 119.74 124.77 3h3r s LYS 550 Ca 0.05 0.56 -0.00 0.00 -1.36 0.00 0.00 55.97 55.22 3h3r s LYS 550 Cb -0.15 -3.64 -0.03 0.00 -1.68 0.00 0.00 37.83 32.34 3h3r s LYS 550 CO 0.04 -0.39 -0.08 0.42 -0.76 0.00 0.00 175.35 174.59 3h3r s ILE 551 N 2.44 3.61 -0.13 2.17 1.01 0.16 -1.18 121.20 129.29 3h3r s ILE 551 Ca 0.27 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3h3r s ILE 551 Cb -0.16 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.83 3h3r s ILE 551 CO 0.09 0.57 -0.17 -0.89 0.00 0.00 0.00 174.94 174.53 3h3r s THR 552 N -0.39 1.66 -0.12 2.92 2.01 -0.03 -1.63 115.64 120.07 3h3r s THR 552 Ca 0.05 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.36 3h3r s THR 552 Cb -0.12 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 70.88 3h3r s THR 552 CO 0.02 0.47 -0.22 -0.47 -0.69 0.00 0.00 174.62 173.74 3h3r s TYR 553 N 1.06 2.51 -0.04 4.92 6.14 0.19 0.21 117.35 132.34 3h3r s TYR 553 Ca -0.04 -1.15 0.05 0.00 0.64 0.00 0.00 57.07 56.57 3h3r s TYR 553 Cb -0.15 -1.71 -0.01 0.00 0.42 0.00 0.00 41.96 40.52 3h3r s TYR 553 CO -0.04 -0.50 -0.18 0.14 0.64 0.00 0.00 175.55 175.60 3h3r s VAL 554 N 0.61 1.51 -0.06 3.14 -7.23 0.03 -0.04 120.40 118.37 3h3r s VAL 554 Ca -0.13 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3h3r s VAL 554 Cb -0.17 -1.29 0.02 0.00 0.56 0.00 0.00 36.38 35.50 3h3r s VAL 554 CO 0.03 0.43 -0.04 0.00 -0.31 0.00 0.00 175.10 175.21 3h3r s ALA 555 N -0.04 0.81 -0.26 1.32 0.00 -0.15 -1.20 121.76 122.24 3h3r s ALA 555 Ca -0.02 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.80 3h3r s ALA 555 Cb -0.11 -0.57 0.06 0.00 0.00 0.00 0.00 23.12 22.49 3h3r s ALA 555 CO 0.02 -0.16 -0.10 -0.80 0.00 0.00 0.00 175.76 174.72 3h3r s ASN 556 N 1.25 4.39 -0.13 0.00 -0.87 -0.27 -1.20 114.94 118.10 3h3r s ASN 556 Ca -0.06 -1.39 0.02 0.00 -1.57 0.00 0.00 52.86 49.87 3h3r s ASN 556 Cb -0.14 -1.51 0.00 0.00 -0.02 0.00 0.00 41.25 39.59 3h3r s ASN 556 CO -0.02 -0.20 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.42 3h3r s VAL 557 N 1.13 2.29 -0.40 1.60 1.01 -1.26 -1.00 120.40 123.77 3h3r s VAL 557 Ca -0.08 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 3h3r s VAL 557 Cb -0.20 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3h3r s VAL 557 CO -0.05 0.54 0.33 0.21 0.00 0.00 0.00 175.10 176.13 3h3r s ASN 558 N 0.62 6.13 0.00 3.32 3.84 0.12 -4.63 114.94 124.34 3h3r s ASN 558 Ca -0.11 -0.78 0.11 0.00 0.21 0.00 0.00 52.86 52.29 3h3r s ASN 558 Cb -0.16 -2.17 0.54 0.00 -0.55 0.00 0.00 41.25 38.90 3h3r s ASN 558 CO 0.03 -0.46 1.28 -0.81 -2.79 0.00 0.00 177.10 174.35 3h3r n PRO 559 N 5.26 0.12 -0.99 0.43 -0.04 -1.26 -1.67 135.00 136.85 3h3r n PRO 559 Ca -0.10 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3h3r n PRO 559 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3h3r n PRO 559 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h3r n GLY 560 N -0.35 0.45 0.00 0.55 0.00 -1.26 -4.54 105.19 100.03 3h3r n GLY 560 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3h3r n GLY 560 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3r n GLY 561 N -2.19 0.77 3.79 -0.02 0.00 -1.26 -4.84 105.19 101.44 3h3r n GLY 561 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 3h3r n GLY 561 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3h3r s TRP 562 N -2.00 3.47 0.10 1.61 -0.00 -1.26 -4.87 118.94 115.99 3h3r s TRP 562 Ca 0.00 1.70 -0.19 0.00 -0.00 0.00 0.00 56.10 57.61 3h3r s TRP 562 Cb 0.00 -2.98 0.05 0.00 -0.00 0.00 0.00 33.47 30.54 3h3r s TRP 562 CO 0.00 -0.14 0.47 0.00 -0.00 0.00 0.00 176.95 177.28 3h3r s ALA 563 N -1.74 -1.17 0.11 5.86 0.00 -1.26 -4.98 121.76 118.57 3h3r s ALA 563 Ca 0.55 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 3h3r s ALA 563 Cb -0.18 0.59 -0.10 0.00 0.00 0.00 0.00 23.12 23.43 3h3r s ALA 563 CO 0.23 -0.60 1.82 -2.14 0.00 0.00 0.00 175.76 175.07 3h3r s PRO 564 N -3.23 4.14 0.27 0.00 0.02 -1.26 -4.83 135.00 130.11 3h3r s PRO 564 Ca -0.01 2.56 -0.03 0.00 0.02 0.00 0.00 61.00 63.55 3h3r s PRO 564 Cb 0.00 -3.66 0.39 0.00 0.02 0.00 0.00 34.50 31.26 3h3r s PRO 564 CO -0.08 -0.84 1.91 0.00 -0.33 0.00 0.00 177.00 177.66 3h3r h ALA 565 N 8.78 1.39 -0.79 -1.55 0.00 -1.99 -1.60 119.26 123.49 3h3r h ALA 565 Ca -0.46 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.49 3h3r h ALA 565 Cb 1.22 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 3h3r h ALA 565 CO 0.95 0.50 0.46 0.66 0.00 0.00 0.00 179.25 181.82 3h3r h SER 566 N 1.20 0.68 -0.09 0.00 4.64 -2.00 -0.34 113.55 117.65 3h3r h SER 566 Ca 0.40 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.66 3h3r h SER 566 Cb 0.06 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3h3r h SER 566 CO -0.13 0.42 -0.32 0.58 -0.87 0.00 0.00 176.83 176.51 3h3r h VAL 567 N 0.81 1.41 -0.83 0.95 2.07 -1.81 -2.81 116.25 116.03 3h3r h VAL 567 Ca 0.36 -1.68 0.05 0.00 0.82 0.00 0.00 66.70 66.26 3h3r h VAL 567 Cb 0.26 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 3h3r h VAL 567 CO -0.21 0.49 0.51 -0.07 0.02 0.00 0.00 177.57 178.31 3h3r h LEU 568 N -0.10 0.82 -1.03 2.57 3.38 -0.90 0.46 115.31 120.51 3h3r h LEU 568 Ca -0.02 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3h3r h LEU 568 Cb 0.95 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3h3r h LEU 568 CO 0.07 0.53 -0.41 0.03 0.09 0.00 0.00 178.44 178.75 3h3r h ARG 569 N 0.95 0.14 -0.22 1.13 3.08 -1.13 -1.37 114.38 116.96 3h3r h ARG 569 Ca 0.36 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.15 3h3r h ARG 569 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3h3r h ARG 569 CO -0.16 0.53 -0.59 0.00 -1.07 0.00 0.00 179.97 178.68 3h3r h ALA 570 N 1.46 0.37 -0.43 0.04 0.00 -0.99 -1.74 119.26 117.96 3h3r h ALA 570 Ca 0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 3h3r h ALA 570 Cb 0.78 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3h3r h ALA 570 CO 0.06 0.61 -0.17 0.28 0.00 0.00 0.00 179.25 180.03 3h3r h VAL 571 N 0.53 1.27 -0.41 0.00 2.07 -0.73 -1.81 116.25 117.16 3h3r h VAL 571 Ca -0.01 -1.28 -0.12 0.00 0.82 0.00 0.00 66.70 66.11 3h3r h VAL 571 Cb 1.21 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3h3r h VAL 571 CO 0.13 0.43 -0.22 0.00 0.02 0.00 0.00 177.57 177.93 3h3r h ALA 572 N 1.07 0.58 -0.16 1.67 0.00 -1.20 0.07 119.26 121.29 3h3r h ALA 572 Ca 0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3h3r h ALA 572 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3h3r h ALA 572 CO 0.05 0.56 -0.00 -0.22 0.00 0.00 0.00 179.25 179.64 3h3r h LYS 573 N 0.69 0.23 0.02 0.00 3.64 -1.06 -2.68 116.57 117.41 3h3r h LYS 573 Ca 0.09 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3h3r h LYS 573 Cb 0.79 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3h3r h LYS 573 CO 0.06 0.25 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.27 3h3r h ARG 574 N 0.22 0.06 0.02 1.90 2.43 -1.15 -3.40 114.38 114.46 3h3r h ARG 574 Ca 0.05 -0.09 -0.24 0.00 -0.81 0.00 0.00 59.98 58.90 3h3r h ARG 574 Cb 0.16 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3h3r h ARG 574 CO 0.00 0.99 -1.18 0.93 -1.51 0.00 0.00 179.97 179.21 3h3r h GLU 575 N -0.83 0.04 -0.03 0.20 4.39 -0.89 -3.06 114.58 114.40 3h3r h GLU 575 Ca -0.02 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 3h3r h GLU 575 Cb 1.06 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.74 3h3r h GLU 575 CO 0.03 0.94 -0.51 1.88 -1.16 0.00 0.00 179.01 180.19 3h3r h TYR 576 N 0.01 0.56 -0.12 4.33 0.05 -1.71 -1.61 116.97 118.49 3h3r h TYR 576 Ca -0.08 -0.29 -0.08 0.00 0.05 0.00 0.00 58.73 58.33 3h3r h TYR 576 Cb 1.85 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 39.50 3h3r h TYR 576 CO 0.01 1.09 -0.29 -1.35 -1.05 0.00 0.00 178.16 176.56 3h3r h PRO 577 N -0.13 0.22 -0.15 4.88 0.11 -1.77 -0.64 132.00 134.52 3h3r h PRO 577 Ca -0.06 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3h3r h PRO 577 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3h3r h PRO 577 CO 0.10 0.50 0.06 -0.22 -0.21 0.00 0.00 178.00 178.23 3h3r h LYS 578 N 0.19 0.23 0.10 1.05 3.64 -1.54 -1.99 116.57 118.26 3h3r h LYS 578 Ca 0.03 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3h3r h LYS 578 Cb 0.62 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3h3r h LYS 578 CO 0.05 0.32 -0.16 0.35 -2.27 0.00 0.00 179.45 177.74 3h3r h PHE 579 N 0.09 -0.42 -0.79 1.91 3.57 -1.09 -2.11 116.94 118.11 3h3r h PHE 579 Ca 0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3h3r h PHE 579 Cb 0.18 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 3h3r h PHE 579 CO -0.01 -0.24 0.37 -0.07 -2.23 0.00 0.00 178.31 176.13 3h3r h LEU 580 N -0.32 1.04 -0.37 0.59 3.38 -1.01 0.28 115.31 118.90 3h3r h LEU 580 Ca 0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3h3r h LEU 580 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3h3r h LEU 580 CO -0.08 0.89 -0.00 0.11 0.09 0.00 0.00 178.44 179.44 3h3r h LYS 581 N 1.12 0.66 -0.02 1.13 1.57 -1.36 -1.19 116.57 118.48 3h3r h LYS 581 Ca 0.27 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3h3r h LYS 581 Cb 0.13 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3h3r h LYS 581 CO -0.03 0.76 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.52 3h3r h ARG 582 N 0.48 0.03 -0.02 3.15 2.43 -0.99 -2.26 114.38 117.19 3h3r h ARG 582 Ca 0.11 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3h3r h ARG 582 Cb 0.47 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3h3r h ARG 582 CO 0.02 0.41 0.02 0.35 -1.51 0.00 0.00 179.97 179.26 3h3r h PHE 583 N -0.35 0.03 -0.42 2.20 3.57 -0.53 -0.41 116.94 121.02 3h3r h PHE 583 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 3h3r h PHE 583 Cb 0.40 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3h3r h PHE 583 CO 0.06 0.02 0.03 1.79 -2.23 0.00 0.00 178.31 177.98 3h3r h THR 584 N 0.03 1.22 -0.64 4.41 1.35 -1.28 -1.78 112.91 116.22 3h3r h THR 584 Ca 0.01 -0.85 -0.06 0.00 -0.55 0.00 0.00 66.41 64.96 3h3r h THR 584 Cb -0.00 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.25 3h3r h THR 584 CO -0.00 0.30 0.16 0.28 -0.25 0.00 0.00 175.52 176.00 3h3r h SER 585 N 0.63 0.94 -0.47 5.36 0.02 -1.32 -1.78 113.55 116.93 3h3r h SER 585 Ca 0.13 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3h3r h SER 585 Cb 0.35 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3h3r h SER 585 CO 0.01 0.91 0.08 0.22 -1.14 0.00 0.00 176.83 176.91 3h3r h TYR 586 N 0.96 0.83 -0.91 3.45 3.20 -0.46 -1.13 116.97 122.90 3h3r h TYR 586 Ca 0.20 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3h3r h TYR 586 Cb 0.34 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 3h3r h TYR 586 CO 0.02 0.77 0.52 0.28 -1.64 0.00 0.00 178.16 178.11 3h3r h VAL 587 N 0.65 1.26 -0.39 1.81 2.07 -1.12 -0.34 116.25 120.19 3h3r h VAL 587 Ca 0.14 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3h3r h VAL 587 Cb 0.39 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3h3r h VAL 587 CO 0.01 0.28 0.13 1.56 0.02 0.00 0.00 177.57 179.57 3h3r h GLN 588 N 1.27 0.61 -0.27 1.57 4.20 -1.01 -2.01 115.11 119.47 3h3r h GLN 588 Ca 0.32 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3h3r h GLN 588 Cb -0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3h3r h GLN 588 CO -0.06 0.60 0.12 0.93 -0.67 0.00 0.00 178.83 179.76 3h3r h GLU 589 N 0.49 0.39 0.00 1.46 5.08 -1.00 -2.36 114.58 118.64 3h3r h GLU 589 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3h3r h GLU 589 Cb 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3h3r h GLU 589 CO -0.01 0.39 -0.06 0.87 -1.00 0.00 0.00 179.01 179.21 3h3r h LYS 590 N 0.29 0.00 -0.01 2.33 1.79 -0.98 -3.15 116.57 116.83 3h3r h LYS 590 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3h3r h LYS 590 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3h3r h LYS 590 CO -0.01 0.06 -0.40 0.25 -1.08 0.00 0.00 179.45 178.27 3h3r n THR 591 N -3.14 0.00 -1.83 -0.16 -2.24 -0.76 -4.93 114.28 101.21 3h3r n THR 591 Ca 0.02 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 3h3r n THR 591 Cb 0.42 1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 3h3r n THR 591 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3r s ALA 592 N -2.16 3.80 0.00 6.98 0.00 -0.89 -1.49 121.76 128.00 3h3r s ALA 592 Ca 0.16 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3h3r s ALA 592 Cb 0.15 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3h3r s ALA 592 CO 0.48 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3h3r n GLY 593 N 3.19 0.35 3.93 0.00 0.00 -1.26 -5.01 105.19 106.40 3h3r n GLY 593 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3h3r n GLY 593 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3r s LYS 594 N -0.75 3.51 0.32 1.61 1.02 -0.56 -5.07 119.74 119.82 3h3r s LYS 594 Ca 0.00 -0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.32 3h3r s LYS 594 Cb 0.00 -2.83 -0.11 0.00 -0.52 0.00 0.00 37.83 34.37 3h3r s LYS 594 CO 0.00 0.38 1.49 -2.14 -0.92 0.00 0.00 175.35 174.16 3h3r s PRO 595 N -3.46 4.18 0.03 -1.68 0.02 -1.26 -4.91 135.00 127.91 3h3r s PRO 595 Ca 0.38 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.57 3h3r s PRO 595 Cb -0.11 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.32 3h3r s PRO 595 CO 0.30 -0.49 1.43 0.42 -0.33 0.00 0.00 177.00 178.33 3h3r s ILE 596 N -0.57 3.55 -0.49 2.83 1.01 -1.26 -4.99 121.20 121.28 3h3r s ILE 596 Ca 0.57 0.99 -0.15 0.00 0.00 0.00 0.00 60.65 62.05 3h3r s ILE 596 Cb -0.45 -3.63 0.09 0.00 0.01 0.00 0.00 42.46 38.48 3h3r s ILE 596 CO 0.53 0.01 0.41 -0.22 0.00 0.00 0.00 174.94 175.68 3h3r s LEU 597 N 2.19 5.74 0.00 2.97 0.20 -1.26 -5.15 118.68 123.37 3h3r s LEU 597 Ca 0.65 -1.48 0.32 0.00 0.69 0.00 0.00 54.13 54.30 3h3r s LEU 597 Cb -0.33 -2.17 1.88 0.00 -0.43 0.00 0.00 46.19 45.14 3h3r s LEU 597 CO 0.28 -0.70 2.20 0.49 -0.29 0.00 0.00 176.35 178.34