#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3s h ARG 366 N 0.00 0.00 -0.65 -1.40 0.11 -2.04 -2.76 114.38 107.64 3h3s h ARG 366 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3h3s h ARG 366 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3h3s h ARG 366 CO 0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 3h3s n PHE 367 N -2.38 0.93 -0.31 4.08 3.72 -1.26 -4.65 117.46 117.58 3h3s n PHE 367 Ca 0.03 -0.45 -0.04 0.00 -0.05 0.00 0.00 57.45 56.94 3h3s n PHE 367 Cb 0.30 -0.03 0.08 0.00 -0.94 0.00 0.00 39.48 38.89 3h3s n PHE 367 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 3h3s h VAL 368 N 3.80 1.23 -0.48 -4.37 -1.51 -1.93 -0.28 116.25 112.71 3h3s h VAL 368 Ca 0.00 -0.48 -0.01 0.00 -1.23 0.00 0.00 66.70 64.98 3h3s h VAL 368 Cb 0.92 0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 3h3s h VAL 368 CO 0.02 0.24 0.28 1.56 -1.23 0.00 0.00 177.57 178.44 3h3s h GLN 369 N 1.15 0.66 -0.39 5.19 4.20 -1.86 -0.45 115.11 123.61 3h3s h GLN 369 Ca 0.30 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.97 3h3s h GLN 369 Cb -0.07 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 3h3s h GLN 369 CO -0.06 0.50 0.20 -0.22 -0.67 0.00 0.00 178.83 178.57 3h3s h LYS 370 N 0.64 0.39 -0.16 1.46 1.63 -1.77 -0.81 116.57 117.95 3h3s h LYS 370 Ca 0.17 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.98 3h3s h LYS 370 Cb 0.01 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 3h3s h LYS 370 CO -0.03 0.26 -0.07 0.28 -3.45 0.00 0.00 179.45 176.44 3h3s h VAL 371 N 0.40 0.76 -0.72 2.00 2.07 -0.69 0.11 116.25 120.19 3h3s h VAL 371 Ca 0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.75 3h3s h VAL 371 Cb 0.06 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 3h3s h VAL 371 CO -0.11 0.00 0.41 -0.33 0.02 0.00 0.00 177.57 177.56 3h3s h GLU 372 N -0.05 0.73 -0.50 1.57 4.39 -0.83 0.37 114.58 120.25 3h3s h GLU 372 Ca 0.09 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 3h3s h GLU 372 Cb 0.18 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3h3s h GLU 372 CO -0.19 0.48 0.04 1.49 -1.16 0.00 0.00 179.01 179.67 3h3s h GLU 373 N 0.75 0.86 -0.36 2.33 4.81 -0.21 -0.91 114.58 121.85 3h3s h GLU 373 Ca 0.32 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3h3s h GLU 373 Cb 0.19 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3h3s h GLU 373 CO -0.18 0.87 -0.02 0.52 -0.73 0.00 0.00 179.01 179.47 3h3s h MET 374 N 0.73 0.65 -0.30 1.92 2.86 -0.07 0.11 114.93 120.82 3h3s h MET 374 Ca 0.15 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3h3s h MET 374 Cb 0.46 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3h3s h MET 374 CO 0.02 0.77 0.11 0.28 1.06 0.00 0.00 176.91 179.15 3h3s h VAL 375 N 0.45 1.19 -0.70 -2.22 2.07 -0.91 -1.08 116.25 115.06 3h3s h VAL 375 Ca 0.10 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3h3s h VAL 375 Cb 0.49 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3h3s h VAL 375 CO 0.02 0.20 0.26 -0.61 0.02 0.00 0.00 177.57 177.46 3h3s h GLN 376 N 0.33 1.06 -0.59 1.57 5.75 -1.00 -0.25 115.11 121.99 3h3s h GLN 376 Ca 0.10 -0.21 -0.08 0.00 -0.15 0.00 0.00 58.65 58.31 3h3s h GLN 376 Cb 0.20 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3h3s h GLN 376 CO -0.01 0.89 0.04 -0.91 -2.65 0.00 0.00 178.83 176.20 3h3s h ASN 377 N 1.01 0.95 -0.29 -0.69 2.35 -0.74 0.98 115.58 119.16 3h3s h ASN 377 Ca 0.23 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 3h3s h ASN 377 Cb 0.25 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3h3s h ASN 377 CO -0.01 0.99 -0.27 0.45 -1.65 0.00 0.00 177.43 176.93 3h3s h HIS 378 N 0.92 0.82 -0.71 1.19 3.86 -0.85 0.13 115.15 120.51 3h3s h HIS 378 Ca 0.18 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3h3s h HIS 378 Cb 0.48 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 3h3s h HIS 378 CO 0.03 0.98 0.42 0.52 0.86 0.00 0.00 177.93 180.74 3h3s h MET 379 N 0.43 0.96 0.03 2.45 2.86 -0.75 0.33 114.93 121.24 3h3s h MET 379 Ca 0.05 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3h3s h MET 379 Cb 0.84 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3h3s h MET 379 CO 0.07 0.68 -0.02 1.15 1.06 0.00 0.00 176.91 179.85 3h3s h THR 380 N 0.98 1.39 0.00 2.22 2.02 -0.66 -3.41 112.91 115.44 3h3s h THR 380 Ca 0.25 -1.63 -0.19 0.00 0.77 0.00 0.00 66.41 65.61 3h3s h THR 380 Cb -0.03 2.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 3h3s h THR 380 CO -0.05 0.40 -2.15 -1.22 0.37 0.00 0.00 175.52 172.87 3h3s n TYR 381 N -4.77 0.07 0.92 3.16 4.02 0.42 -4.59 117.16 116.39 3h3s n TYR 381 Ca -0.09 0.02 0.13 0.00 -0.01 0.00 0.00 57.90 57.96 3h3s n TYR 381 Cb 0.34 -0.79 0.43 0.00 -0.02 0.00 0.00 39.34 39.30 3h3s n TYR 381 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3h3s n SER 382 N -2.55 0.32 -1.26 7.72 7.64 0.11 -3.32 113.62 122.29 3h3s n SER 382 Ca -0.19 0.22 0.09 0.00 1.01 0.00 0.00 58.87 60.01 3h3s n SER 382 Cb 0.88 -0.22 0.29 0.00 -1.01 0.00 0.00 64.21 64.15 3h3s n SER 382 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3h3s n LEU 383 N -1.64 3.68 -4.75 -3.43 4.77 -1.25 -4.94 117.00 109.45 3h3s n LEU 383 Ca 0.06 -1.85 -0.40 0.00 -0.03 0.00 0.00 56.01 53.79 3h3s n LEU 383 Cb 0.36 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 3h3s n LEU 383 CO 0.31 0.77 0.67 -1.10 -1.33 0.00 0.00 177.39 176.71 3h3s s GLN 384 N -1.45 4.82 -0.64 3.23 -0.21 -1.21 -4.95 119.66 119.24 3h3s s GLN 384 Ca 0.42 1.51 -0.28 0.00 0.02 0.00 0.00 55.36 57.04 3h3s s GLN 384 Cb 0.24 -3.28 0.02 0.00 1.00 0.00 0.00 33.01 31.00 3h3s s GLN 384 CO 0.25 0.45 1.31 0.34 -2.12 0.00 0.00 175.29 175.53 3h3s s ASP 385 N -1.01 6.20 0.00 5.90 -1.08 -1.26 -4.88 116.67 120.55 3h3s s ASP 385 Ca 0.42 -0.06 0.29 0.00 -0.52 0.00 0.00 52.55 52.68 3h3s s ASP 385 Cb -0.26 -2.55 1.24 0.00 -1.46 0.00 0.00 42.92 39.88 3h3s s ASP 385 CO 0.33 -1.72 1.90 1.33 0.52 0.00 0.00 175.17 177.52 3h3s n VAL 386 N 6.62 0.00 0.27 1.11 0.24 -1.26 -3.72 118.33 121.60 3h3s n VAL 386 Ca 0.08 -0.01 0.11 0.00 -2.04 0.00 0.00 64.34 62.48 3h3s n VAL 386 Cb 0.49 -0.37 0.74 0.00 -1.47 0.00 0.00 33.84 33.24 3h3s n VAL 386 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3h3s h GLY 387 N 5.00 0.00 -1.69 7.63 0.00 -1.97 -1.08 103.07 110.96 3h3s h GLY 387 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h3s h GLY 387 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3h3s n GLY 388 N -1.33 0.69 3.55 4.60 0.00 -1.24 -4.89 105.19 106.57 3h3s n GLY 388 Ca -0.03 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 3h3s n GLY 388 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h3s s ASP 389 N -1.74 6.45 0.00 1.61 -1.08 -0.41 -4.88 116.67 116.62 3h3s s ASP 389 Ca 0.25 -0.01 0.20 0.00 -0.52 0.00 0.00 52.55 52.47 3h3s s ASP 389 Cb 0.17 -2.45 1.07 0.00 -1.46 0.00 0.00 42.92 40.26 3h3s s ASP 389 CO 0.26 -1.10 1.63 0.00 0.52 0.00 0.00 175.17 176.48 3h3s n ALA 390 N 7.25 2.11 0.69 3.66 0.00 -1.26 -1.20 120.51 131.75 3h3s n ALA 390 Ca 0.05 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.51 3h3s n ALA 390 Cb 0.48 -1.33 0.34 0.00 0.00 0.00 0.00 19.45 18.95 3h3s n ALA 390 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h3s n ASN 391 N -1.22 0.64 -4.86 0.00 5.03 -1.26 -4.83 115.26 108.76 3h3s n ASN 391 Ca 0.11 0.34 -0.30 0.00 0.87 0.00 0.00 54.58 55.60 3h3s n ASN 391 Cb 0.14 -0.35 -0.05 0.00 -1.02 0.00 0.00 39.78 38.50 3h3s n ASN 391 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3h3s s TRP 392 N -3.10 3.37 -0.10 3.10 0.52 -0.34 -4.54 118.94 117.84 3h3s s TRP 392 Ca 0.10 0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.41 3h3s s TRP 392 Cb 0.14 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 3h3s s TRP 392 CO 0.64 0.56 -0.20 -1.14 0.02 0.00 0.00 176.95 176.82 3h3s s GLN 393 N -2.51 3.05 -0.58 4.98 0.74 0.46 -4.89 119.66 120.91 3h3s s GLN 393 Ca 0.32 -0.82 -0.28 0.00 0.05 0.00 0.00 55.36 54.64 3h3s s GLN 393 Cb -0.12 -2.38 0.03 0.00 1.10 0.00 0.00 33.01 31.63 3h3s s GLN 393 CO 0.25 0.24 1.19 -1.17 -0.55 0.00 0.00 175.29 175.26 3h3s s LEU 394 N 0.22 3.45 -0.12 3.68 2.96 -1.26 -1.23 118.68 126.37 3h3s s LEU 394 Ca -0.13 0.11 0.20 0.00 -0.22 0.00 0.00 54.13 54.09 3h3s s LEU 394 Cb -0.16 -3.17 -0.29 0.00 0.50 0.00 0.00 46.19 43.07 3h3s s LEU 394 CO 0.07 -1.48 0.25 1.33 -1.32 0.00 0.00 176.35 175.20 3h3s n VAL 395 N 6.68 0.77 -3.88 1.68 0.24 0.34 -4.95 118.33 119.19 3h3s n VAL 395 Ca 0.09 -0.69 -0.13 0.00 -2.04 0.00 0.00 64.34 61.56 3h3s n VAL 395 Cb 0.49 -0.26 -0.15 0.00 -1.47 0.00 0.00 33.84 32.46 3h3s n VAL 395 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3h3s s VAL 396 N -2.94 0.03 -0.01 3.34 1.01 -1.03 -5.02 120.40 115.78 3h3s s VAL 396 Ca -0.09 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 3h3s s VAL 396 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.41 3h3s s VAL 396 CO 0.86 0.03 0.06 -0.70 0.00 0.00 0.00 175.10 175.35 3h3s s GLU 397 N 0.25 0.16 -0.30 2.72 2.12 -1.26 -0.54 118.70 121.85 3h3s s GLU 397 Ca -0.02 -0.09 -0.11 0.00 0.36 0.00 0.00 54.97 55.11 3h3s s GLU 397 Cb -0.03 0.07 0.14 0.00 0.26 0.00 0.00 34.13 34.56 3h3s s GLU 397 CO -0.01 -0.03 0.72 -1.21 -0.54 0.00 0.00 175.26 174.19 3h3s s GLU 398 N -0.40 0.53 3.74 4.30 2.02 -0.54 -5.03 118.70 123.32 3h3s s GLU 398 Ca -0.05 1.31 0.00 0.00 0.02 0.00 0.00 54.97 56.26 3h3s s GLU 398 Cb -0.03 0.78 0.00 0.00 0.10 0.00 0.00 34.13 34.98 3h3s s GLU 398 CO 0.00 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.51 3h3s n GLY 399 N 5.33 3.08 0.19 -1.39 0.00 -1.26 -0.61 105.19 110.53 3h3s n GLY 399 Ca -0.12 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3h3s n GLY 399 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h3s n GLU 400 N 14.00 1.26 -3.63 1.61 -0.58 -1.26 -4.87 120.64 127.16 3h3s n GLU 400 Ca 0.00 -0.37 -0.36 0.00 -0.42 0.00 0.00 57.16 56.00 3h3s n GLU 400 Cb 0.00 -1.45 -0.07 0.00 -0.57 0.00 0.00 31.44 29.35 3h3s n GLU 400 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3h3s s MET 401 N -1.98 4.13 -0.04 3.49 1.75 0.22 -4.00 119.30 122.87 3h3s s MET 401 Ca 0.40 -0.01 0.02 0.00 -1.25 0.00 0.00 55.69 54.85 3h3s s MET 401 Cb 0.20 -3.39 0.01 0.00 2.84 0.00 0.00 34.83 34.49 3h3s s MET 401 CO 0.32 0.34 -0.08 0.15 -0.65 0.00 0.00 175.02 175.11 3h3s s LYS 402 N 0.19 1.05 -0.12 4.11 1.02 -0.43 -1.46 119.74 124.10 3h3s s LYS 402 Ca 0.14 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 55.91 3h3s s LYS 402 Cb -0.12 -0.97 0.01 0.00 -0.52 0.00 0.00 37.83 36.23 3h3s s LYS 402 CO 0.03 0.01 -0.17 0.08 -0.92 0.00 0.00 175.35 174.37 3h3s s VAL 403 N 0.61 1.68 0.24 3.17 1.01 0.30 -1.07 120.40 126.34 3h3s s VAL 403 Ca -0.10 -0.75 0.11 0.00 0.00 0.00 0.00 61.98 61.25 3h3s s VAL 403 Cb -0.13 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3h3s s VAL 403 CO 0.01 0.48 -0.21 -0.31 0.00 0.00 0.00 175.10 175.07 3h3s s TYR 404 N 0.96 2.23 0.11 5.22 2.02 0.13 -0.51 117.35 127.51 3h3s s TYR 404 Ca -0.06 -0.36 -0.07 0.00 -0.37 0.00 0.00 57.07 56.21 3h3s s TYR 404 Cb -0.15 -1.03 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 3h3s s TYR 404 CO -0.02 0.59 0.17 -0.98 -1.57 0.00 0.00 175.55 173.74 3h3s s ARG 405 N -3.15 0.91 -0.14 -0.62 1.70 -0.36 -1.13 118.95 116.16 3h3s s ARG 405 Ca 0.25 -1.13 0.02 0.00 -0.47 0.00 0.00 55.73 54.41 3h3s s ARG 405 Cb -0.06 0.32 0.01 0.00 -0.57 0.00 0.00 34.95 34.65 3h3s s ARG 405 CO 0.12 -0.29 -0.22 0.50 -1.08 0.00 0.00 175.30 174.33 3h3s s ARG 406 N -3.93 3.03 -0.27 3.89 3.52 -0.60 -0.40 118.95 124.18 3h3s s ARG 406 Ca 0.11 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 3h3s s ARG 406 Cb 0.05 -2.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 3h3s s ARG 406 CO -0.06 -0.01 1.21 -1.21 -0.81 0.00 0.00 175.30 174.42 3h3s s GLU 407 N 0.81 4.05 -0.04 5.12 2.02 -1.26 -3.19 118.70 126.20 3h3s s GLU 407 Ca -0.07 1.29 0.01 0.00 0.02 0.00 0.00 54.97 56.22 3h3s s GLU 407 Cb -0.16 -3.80 0.02 0.00 0.10 0.00 0.00 34.13 30.30 3h3s s GLU 407 CO -0.02 -0.94 -0.04 0.08 0.02 0.00 0.00 175.26 174.37 3h3s s VAL 408 N 3.91 0.47 -0.06 2.63 1.01 -1.26 -4.95 120.40 122.15 3h3s s VAL 408 Ca 0.52 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.44 3h3s s VAL 408 Cb -0.16 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.73 3h3s s VAL 408 CO 0.18 0.21 -0.11 -1.61 0.00 0.00 0.00 175.10 173.77 3h3s s GLU 409 N 0.93 1.46 -0.09 2.72 2.02 -1.26 -0.46 118.70 124.02 3h3s s GLU 409 Ca -0.11 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.56 3h3s s GLU 409 Cb -0.14 -1.25 0.01 0.00 0.10 0.00 0.00 34.13 32.85 3h3s s GLU 409 CO -0.00 0.02 -0.18 -1.21 0.02 0.00 0.00 175.26 173.91 3h3s s GLU 410 N 0.65 2.43 -1.59 1.61 2.02 -0.48 -4.77 118.70 118.56 3h3s s GLU 410 Ca -0.13 -0.66 -0.16 0.00 0.02 0.00 0.00 54.97 54.05 3h3s s GLU 410 Cb -0.15 -1.92 0.11 0.00 0.10 0.00 0.00 34.13 32.27 3h3s s GLU 410 CO 0.03 0.07 0.93 0.09 0.02 0.00 0.00 175.26 176.39 3h3s n ASN 411 N 3.78 -4.35 0.00 -0.19 4.13 -1.26 -1.39 115.26 115.98 3h3s n ASN 411 Ca -0.20 -0.85 0.00 0.00 1.68 0.00 0.00 54.58 55.20 3h3s n ASN 411 Cb 0.52 -3.52 0.00 0.00 -1.54 0.00 0.00 39.78 35.24 3h3s n ASN 411 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h3s n GLY 412 N -1.60 1.63 3.75 7.41 0.00 -1.26 -5.04 105.19 110.09 3h3s n GLY 412 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3h3s n GLY 412 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3s s ILE 413 N -3.06 4.98 -0.22 -0.61 -1.09 -0.48 -5.06 121.20 115.65 3h3s s ILE 413 Ca 0.00 0.02 -0.28 0.00 -2.23 0.00 0.00 60.65 58.15 3h3s s ILE 413 Cb 0.00 -3.18 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 3h3s s ILE 413 CO 0.00 0.56 1.00 -0.69 -1.23 0.00 0.00 174.94 174.59 3h3s s VAL 414 N -0.52 4.71 -0.16 2.92 1.01 -1.26 -1.38 120.40 125.73 3h3s s VAL 414 Ca 0.11 1.96 0.01 0.00 0.00 0.00 0.00 61.98 64.06 3h3s s VAL 414 Cb -0.12 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.99 3h3s s VAL 414 CO 0.02 -0.14 0.43 0.18 0.00 0.00 0.00 175.10 175.59 3h3s n LEU 415 N 6.13 0.88 0.00 3.92 4.77 0.39 -4.66 117.00 128.43 3h3s n LEU 415 Ca 0.11 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 3h3s n LEU 415 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3h3s n LEU 415 CO 0.51 0.21 0.00 0.47 -1.33 0.00 0.00 177.39 177.25 3h3s n ASP 416 N -0.17 0.00 -4.67 -1.43 9.92 -1.14 -4.35 116.55 114.71 3h3s n ASP 416 Ca 0.01 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 53.83 3h3s n ASP 416 Cb 0.03 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.50 3h3s n ASP 416 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3h3s n PRO 417 N 0.00 1.94 -5.07 -0.24 -0.02 -1.19 -4.69 135.00 125.72 3h3s n PRO 417 Ca 0.00 0.68 -0.28 0.00 -2.02 0.00 0.00 63.50 61.88 3h3s n PRO 417 Cb 0.00 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.07 3h3s n PRO 417 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h3s s LEU 418 N -0.31 2.05 -0.03 2.45 0.20 -0.44 -1.56 118.68 121.04 3h3s s LEU 418 Ca 0.61 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 55.03 3h3s s LEU 418 Cb -0.63 -1.14 0.03 0.00 -0.43 0.00 0.00 46.19 44.02 3h3s s LEU 418 CO 0.57 0.27 -0.00 -0.75 -0.29 0.00 0.00 176.35 176.14 3h3s s LYS 419 N -0.56 0.31 0.08 1.98 2.20 -0.29 -1.33 119.74 122.14 3h3s s LYS 419 Ca 0.09 0.06 0.09 0.00 -0.36 0.00 0.00 55.97 55.85 3h3s s LYS 419 Cb -0.09 -0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 35.73 3h3s s LYS 419 CO -0.01 -0.12 -0.24 0.00 -0.36 0.00 0.00 175.35 174.62 3h3s s ALA 420 N 0.96 2.09 0.10 3.13 0.00 0.64 0.17 121.76 128.84 3h3s s ALA 420 Ca -0.10 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.66 3h3s s ALA 420 Cb -0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3h3s s ALA 420 CO -0.02 0.47 -0.19 0.95 0.00 0.00 0.00 175.76 176.98 3h3s s THR 421 N -0.95 1.54 0.19 0.00 -4.23 -0.23 -0.68 115.64 111.27 3h3s s THR 421 Ca 0.10 -1.49 -0.19 0.00 -1.18 0.00 0.00 61.69 58.93 3h3s s THR 421 Cb -0.10 -1.43 0.04 0.00 1.34 0.00 0.00 72.50 72.35 3h3s s THR 421 CO 0.04 -0.12 0.55 -2.28 -0.54 0.00 0.00 174.62 172.26 3h3s s HIS 422 N -1.25 -0.24 -0.07 3.99 2.46 -0.58 -1.32 115.29 118.29 3h3s s HIS 422 Ca 0.04 -0.09 -0.03 0.00 0.47 0.00 0.00 55.06 55.46 3h3s s HIS 422 Cb -0.10 0.46 0.04 0.00 -0.13 0.00 0.00 32.58 32.85 3h3s s HIS 422 CO 0.04 -0.92 0.15 0.00 -2.47 0.00 0.00 174.74 171.54 3h3s s ALA 423 N -3.84 -0.17 -0.17 1.58 0.00 -1.26 -0.75 121.76 117.15 3h3s s ALA 423 Ca 0.07 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3h3s s ALA 423 Cb -0.01 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.49 3h3s s ALA 423 CO -0.05 -0.39 -0.11 0.08 0.00 0.00 0.00 175.76 175.28 3h3s s VAL 424 N 1.83 1.53 0.39 0.00 1.01 0.29 -4.85 120.40 120.59 3h3s s VAL 424 Ca -0.02 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 3h3s s VAL 424 Cb -0.12 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 3h3s s VAL 424 CO -0.06 0.31 1.18 -0.54 0.00 0.00 0.00 175.10 176.00 3h3s s LYS 425 N 1.48 4.10 0.00 2.72 1.02 -1.26 -0.37 119.74 127.42 3h3s s LYS 425 Ca 0.02 1.87 0.00 0.00 0.02 0.00 0.00 55.97 57.88 3h3s s LYS 425 Cb -0.14 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 3h3s s LYS 425 CO -0.09 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 3h3s n GLY 426 N 0.67 0.75 3.21 -3.33 0.00 -0.04 -4.89 105.19 101.56 3h3s n GLY 426 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3h3s n GLY 426 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h3s s VAL 427 N -2.61 0.96 0.34 1.61 -7.23 -1.26 -4.85 120.40 107.37 3h3s s VAL 427 Ca 0.00 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 3h3s s VAL 427 Cb 0.00 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 3h3s s VAL 427 CO 0.00 -0.76 0.39 0.42 -0.31 0.00 0.00 175.10 174.84 3h3s s THR 428 N -3.28 3.74 0.28 5.32 -4.23 -1.26 -3.06 115.64 113.15 3h3s s THR 428 Ca 0.13 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 3h3s s THR 428 Cb 0.03 -3.28 0.10 0.00 1.34 0.00 0.00 72.50 70.68 3h3s s THR 428 CO -0.01 -0.15 1.76 1.23 -0.54 0.00 0.00 174.62 176.90 3h3s h GLY 429 N 1.05 0.66 1.00 3.99 0.00 -1.86 -1.25 103.07 106.66 3h3s h GLY 429 Ca -0.45 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.40 3h3s h GLY 429 CO 0.55 0.44 0.38 0.84 0.00 0.00 0.00 176.54 178.75 3h3s h HIS 430 N 0.56 0.92 -0.15 5.60 -0.00 -1.88 -1.02 115.15 119.18 3h3s h HIS 430 Ca 0.10 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.43 3h3s h HIS 430 Cb 0.54 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 3h3s h HIS 430 CO 0.02 0.64 0.00 0.93 -0.00 0.00 0.00 177.93 179.53 3h3s h GLU 431 N 0.92 0.26 -0.15 5.26 5.08 -1.63 -0.32 114.58 124.00 3h3s h GLU 431 Ca 0.24 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3h3s h GLU 431 Cb 0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3h3s h GLU 431 CO -0.04 0.48 0.01 0.28 -1.00 0.00 0.00 179.01 178.75 3h3s h VAL 432 N 0.00 0.91 -0.51 3.13 2.07 -1.12 -1.17 116.25 119.56 3h3s h VAL 432 Ca 0.04 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3h3s h VAL 432 Cb 0.37 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3h3s h VAL 432 CO 0.01 0.01 0.21 0.00 0.02 0.00 0.00 177.57 177.82 3h3s h ASN 434 N 0.69 0.07 0.13 0.00 -0.26 -0.76 0.44 115.58 115.89 3h3s h ASN 434 Ca 0.17 0.10 -0.14 0.00 -0.56 0.00 0.00 56.30 55.87 3h3s h ASN 434 Cb 0.19 0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 3h3s h ASN 434 CO -0.02 0.05 -0.50 1.88 -1.06 0.00 0.00 177.43 177.78 3h3s h TYR 435 N 0.29 0.51 -0.62 1.19 -1.99 -0.92 0.19 116.97 115.62 3h3s h TYR 435 Ca 0.30 -0.17 -0.08 0.00 2.00 0.00 0.00 58.73 60.78 3h3s h TYR 435 Cb 0.41 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 3h3s h TYR 435 CO -0.22 0.84 0.08 0.35 -0.00 0.00 0.00 178.16 179.20 3h3s h PHE 436 N 0.33 1.10 0.09 4.88 3.57 -0.67 -3.30 116.94 122.94 3h3s h PHE 436 Ca 0.01 -0.15 -0.31 0.00 3.53 0.00 0.00 57.97 61.05 3h3s h PHE 436 Cb 1.00 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 3h3s h PHE 436 CO 0.03 0.94 -1.59 2.35 -2.23 0.00 0.00 178.31 177.81 3h3s h TRP 437 N 0.96 0.35 -2.68 0.41 7.01 -0.68 -3.46 115.95 117.87 3h3s h TRP 437 Ca 0.19 -0.25 -0.57 0.00 2.11 0.00 0.00 58.89 60.36 3h3s h TRP 437 Cb 0.45 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.47 3h3s h TRP 437 CO 0.03 1.34 1.23 1.21 -2.79 0.00 0.00 178.44 179.47 3h3s s ASN 438 N -6.81 6.07 0.52 2.65 2.47 0.64 -4.85 114.94 115.62 3h3s s ASN 438 Ca -0.09 1.47 0.27 0.00 0.42 0.00 0.00 52.86 54.93 3h3s s ASN 438 Cb 0.07 -2.53 1.43 0.00 -1.45 0.00 0.00 41.25 38.77 3h3s s ASN 438 CO 0.83 -1.54 2.06 -0.37 -3.72 0.00 0.00 177.10 174.36 3h3s h VAL 439 N 6.56 0.55 0.00 -5.21 -1.51 -1.89 -2.92 116.25 111.83 3h3s h VAL 439 Ca -0.34 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 3h3s h VAL 439 Cb 1.17 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 3h3s h VAL 439 CO 1.02 0.12 0.06 0.44 -1.23 0.00 0.00 177.57 177.98 3h3s h ASP 440 N 0.00 0.00 0.00 4.19 3.32 -1.97 -2.29 116.42 119.68 3h3s h ASP 440 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h3s h ASP 440 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3h3s h ASP 440 CO 0.02 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.87 3h3s n VAL 441 N -2.95 0.47 -0.21 -1.35 0.24 -1.10 -4.79 118.33 108.64 3h3s n VAL 441 Ca -0.03 -0.71 0.02 0.00 -2.04 0.00 0.00 64.34 61.58 3h3s n VAL 441 Cb 0.12 0.79 0.12 0.00 -1.47 0.00 0.00 33.84 33.40 3h3s n VAL 441 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3h3s h ARG 442 N 0.00 0.19 0.00 7.34 9.65 -1.45 -0.83 114.38 129.28 3h3s h ARG 442 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3h3s h ARG 442 Cb 0.27 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3h3s h ARG 442 CO 0.00 0.12 0.00 0.09 2.80 0.00 0.00 179.97 182.98 3h3s n ASN 443 N -5.20 0.25 0.19 -3.80 5.03 -1.26 -1.44 115.26 109.01 3h3s n ASN 443 Ca 0.10 0.55 0.05 0.00 0.87 0.00 0.00 54.58 56.16 3h3s n ASN 443 Cb 0.36 -0.61 0.32 0.00 -1.02 0.00 0.00 39.78 38.83 3h3s n ASN 443 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 3h3s h ASP 444 N 0.00 0.00 0.00 6.41 5.19 -1.50 -3.39 116.42 123.13 3h3s h ASP 444 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3h3s h ASP 444 Cb 0.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.84 3h3s h ASP 444 CO 0.00 0.38 -0.77 -2.67 -3.12 0.00 0.00 179.24 173.06 3h3s n TRP 445 N -3.53 0.00 -2.67 4.55 4.27 -0.98 -5.04 117.44 114.03 3h3s n TRP 445 Ca -0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 3h3s n TRP 445 Cb 0.52 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.43 3h3s n TRP 445 CO 0.00 0.00 0.00 -2.00 -2.29 0.00 0.00 177.69 173.40 3h3s s GLU 446 N -1.71 4.64 0.00 -2.67 2.56 -0.52 -4.70 118.70 116.30 3h3s s GLU 446 Ca 0.00 1.51 0.04 0.00 0.00 0.00 0.00 54.97 56.51 3h3s s GLU 446 Cb 0.00 -3.37 -0.02 0.00 2.00 0.00 0.00 34.13 32.74 3h3s s GLU 446 CO 0.00 0.12 0.30 0.25 -0.56 0.00 0.00 175.26 175.37 3h3s n THR 447 N 2.99 0.00 0.08 -1.70 -2.24 -1.26 -4.65 114.28 107.50 3h3s n THR 447 Ca 0.03 -0.44 0.10 0.00 -2.27 0.00 0.00 64.05 61.47 3h3s n THR 447 Cb 0.49 1.03 0.21 0.00 -2.10 0.00 0.00 70.33 69.96 3h3s n THR 447 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3h3s n THR 448 N -0.65 0.66 -3.49 4.28 -2.24 -1.26 -4.93 114.28 106.65 3h3s n THR 448 Ca 0.01 -0.83 -0.37 0.00 -2.27 0.00 0.00 64.05 60.59 3h3s n THR 448 Cb 0.07 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 3h3s n THR 448 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3h3s s ILE 449 N -1.23 5.27 -0.14 2.28 -1.09 -1.26 -0.49 121.20 124.54 3h3s s ILE 449 Ca 0.36 0.58 -0.21 0.00 -2.23 0.00 0.00 60.65 59.15 3h3s s ILE 449 Cb 0.20 -3.66 -0.18 0.00 -1.58 0.00 0.00 42.46 37.24 3h3s s ILE 449 CO 0.27 0.34 0.48 -0.08 -1.23 0.00 0.00 174.94 174.72 3h3s h GLU 450 N 6.99 0.00 -3.46 2.79 4.81 -0.83 -3.43 114.58 121.45 3h3s h GLU 450 Ca -0.39 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 3h3s h GLU 450 Cb 1.16 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.41 3h3s h GLU 450 CO 0.73 0.75 -0.15 1.21 -0.73 0.00 0.00 179.01 180.82 3h3s s ASN 451 N -6.16 -0.15 0.04 1.04 3.84 -1.17 -5.01 114.94 107.37 3h3s s ASN 451 Ca -0.16 -0.37 -0.24 0.00 0.21 0.00 0.00 52.86 52.30 3h3s s ASN 451 Cb -0.01 0.43 0.06 0.00 -0.55 0.00 0.00 41.25 41.18 3h3s s ASN 451 CO 0.51 -0.80 0.55 0.72 -2.79 0.00 0.00 177.10 175.29 3h3s s PHE 452 N -3.69 -0.47 0.13 0.43 -0.12 -1.26 -1.17 117.98 111.83 3h3s s PHE 452 Ca 0.03 0.58 -0.10 0.00 -0.05 0.00 0.00 56.93 57.39 3h3s s PHE 452 Cb 0.02 0.37 -0.00 0.00 -0.63 0.00 0.00 43.02 42.78 3h3s s PHE 452 CO -0.11 -0.65 0.26 -3.38 -0.05 0.00 0.00 175.22 171.30 3h3s s HIS 453 N -2.27 0.22 -0.24 3.49 -3.43 -0.26 -5.00 115.29 107.78 3h3s s HIS 453 Ca -0.06 -0.60 -0.26 0.00 -0.80 0.00 0.00 55.06 53.34 3h3s s HIS 453 Cb -0.01 -0.01 -0.00 0.00 -1.43 0.00 0.00 32.58 31.13 3h3s s HIS 453 CO -0.00 -0.65 0.88 0.08 -2.00 0.00 0.00 174.74 173.05 3h3s s VAL 454 N -3.90 4.79 0.05 -5.38 1.01 -1.26 -1.30 120.40 114.41 3h3s s VAL 454 Ca 0.10 1.67 -0.15 0.00 0.00 0.00 0.00 61.98 63.59 3h3s s VAL 454 Cb 0.04 -4.17 -0.30 0.00 0.00 0.00 0.00 36.38 31.95 3h3s s VAL 454 CO -0.06 -0.12 1.09 0.58 0.00 0.00 0.00 175.10 176.59 3h3s h VAL 455 N 5.45 1.29 -2.09 2.92 2.07 -0.92 -3.48 116.25 121.50 3h3s h VAL 455 Ca -0.22 -2.46 -0.05 0.00 0.82 0.00 0.00 66.70 64.79 3h3s h VAL 455 Cb 1.08 2.73 -0.21 0.00 -1.52 0.00 0.00 31.29 33.38 3h3s h VAL 455 CO 0.90 0.75 0.11 -0.70 0.02 0.00 0.00 177.57 178.64 3h3s s GLU 456 N -2.95 0.87 -0.26 1.57 2.12 -1.11 -4.99 118.70 113.95 3h3s s GLU 456 Ca -0.10 0.72 -0.12 0.00 0.36 0.00 0.00 54.97 55.83 3h3s s GLU 456 Cb 0.05 0.42 -0.05 0.00 0.26 0.00 0.00 34.13 34.81 3h3s s GLU 456 CO 0.93 -0.16 0.24 0.99 -0.54 0.00 0.00 175.26 176.71 3h3s s THR 457 N -0.13 5.28 -0.15 -1.70 2.01 -1.26 -0.32 115.64 119.36 3h3s s THR 457 Ca -0.04 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.29 3h3s s THR 457 Cb -0.03 -3.57 -0.23 0.00 0.01 0.00 0.00 72.50 68.67 3h3s s THR 457 CO 0.04 0.26 0.22 0.18 -0.69 0.00 0.00 174.62 174.62 3h3s n LEU 458 N 4.86 2.09 -3.81 4.42 4.77 -0.09 -5.01 117.00 124.23 3h3s n LEU 458 Ca -0.13 0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3h3s n LEU 458 Cb 0.52 -0.63 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3h3s n LEU 458 CO 0.35 0.75 0.65 0.00 -1.33 0.00 0.00 177.39 177.81 3h3s s ALA 459 N -2.55 -1.39 0.58 -1.18 0.00 -0.80 -4.71 121.76 111.72 3h3s s ALA 459 Ca -0.21 -0.21 0.29 0.00 0.00 0.00 0.00 51.96 51.83 3h3s s ALA 459 Cb 0.07 0.72 1.44 0.00 0.00 0.00 0.00 23.12 25.35 3h3s s ALA 459 CO 0.74 -1.04 1.84 -0.44 0.00 0.00 0.00 175.76 176.86 3h3s h ASP 460 N 2.00 0.00 0.00 0.00 3.32 -2.02 -2.77 116.42 116.95 3h3s h ASP 460 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3h3s h ASP 460 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3h3s h ASP 460 CO 0.29 0.00 -0.01 -0.46 -1.72 0.00 0.00 179.24 177.34 3h3s n ASN 461 N -3.75 1.91 -3.69 6.45 6.94 -1.26 -5.03 115.26 116.83 3h3s n ASN 461 Ca 0.11 -2.23 -0.13 0.00 -0.02 0.00 0.00 54.58 52.31 3h3s n ASN 461 Cb 0.80 -0.12 -0.13 0.00 -2.36 0.00 0.00 39.78 37.97 3h3s n ASN 461 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h3s s ALA 462 N -1.42 -0.62 0.13 -2.53 0.00 -1.04 -1.43 121.76 114.84 3h3s s ALA 462 Ca 0.09 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3h3s s ALA 462 Cb 0.08 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3h3s s ALA 462 CO 0.01 -0.42 -0.04 0.96 0.00 0.00 0.00 175.76 176.27 3h3s s ILE 463 N 1.83 0.67 -0.17 0.00 -4.36 -0.46 -0.91 121.20 117.80 3h3s s ILE 463 Ca -0.04 -1.95 -0.03 0.00 -0.26 0.00 0.00 60.65 58.36 3h3s s ILE 463 Cb -0.11 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.73 3h3s s ILE 463 CO -0.09 -0.72 -0.06 -0.63 0.24 0.00 0.00 174.94 173.68 3h3s s ILE 464 N -3.65 3.52 -0.09 8.37 1.01 0.56 0.15 121.20 131.07 3h3s s ILE 464 Ca 0.17 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3h3s s ILE 464 Cb 0.06 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 3h3s s ILE 464 CO -0.01 0.48 -0.17 -0.63 0.00 0.00 0.00 174.94 174.60 3h3s s ILE 465 N 0.71 2.73 -0.13 2.92 1.01 0.11 -0.18 121.20 128.38 3h3s s ILE 465 Ca -0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 3h3s s ILE 465 Cb -0.15 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3h3s s ILE 465 CO 0.02 0.55 0.01 -0.47 0.00 0.00 0.00 174.94 175.06 3h3s s TYR 466 N 0.02 3.17 0.01 3.97 5.04 -0.42 -0.94 117.35 128.21 3h3s s TYR 466 Ca -0.06 0.06 -0.10 0.00 -2.44 0.00 0.00 57.07 54.54 3h3s s TYR 466 Cb -0.15 -1.91 0.01 0.00 0.35 0.00 0.00 41.96 40.26 3h3s s TYR 466 CO 0.05 0.28 0.19 1.14 -1.34 0.00 0.00 175.55 175.87 3h3s s GLN 467 N -0.28 0.58 -0.05 4.97 -2.07 -0.24 -1.11 119.66 121.47 3h3s s GLN 467 Ca 0.07 -0.41 0.01 0.00 -1.82 0.00 0.00 55.36 53.21 3h3s s GLN 467 Cb -0.12 0.25 -0.03 0.00 -1.09 0.00 0.00 33.01 32.01 3h3s s GLN 467 CO 0.02 -0.15 -0.06 0.95 -1.32 0.00 0.00 175.29 174.73 3h3s s THR 468 N -1.67 3.78 0.08 3.63 -4.23 -0.32 -0.84 115.64 116.07 3h3s s THR 468 Ca -0.12 -0.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 3h3s s THR 468 Cb -0.05 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 3h3s s THR 468 CO 0.01 0.53 0.16 -1.00 -0.54 0.00 0.00 174.62 173.77 3h3s s HIS 469 N -0.89 3.37 0.78 3.99 3.76 -0.31 -0.19 115.29 125.79 3h3s s HIS 469 Ca 0.14 0.16 -0.14 0.00 -0.15 0.00 0.00 55.06 55.07 3h3s s HIS 469 Cb -0.11 -1.69 0.07 0.00 1.11 0.00 0.00 32.58 31.96 3h3s s HIS 469 CO 0.04 0.56 1.21 0.15 -0.85 0.00 0.00 174.74 175.84 3h3s s LYS 470 N -2.52 1.83 -0.61 1.40 1.02 0.36 -4.37 119.74 116.86 3h3s s LYS 470 Ca 0.32 1.75 -0.27 0.00 0.02 0.00 0.00 55.97 57.79 3h3s s LYS 470 Cb -0.12 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 3h3s s LYS 470 CO 0.25 -2.07 1.55 1.03 -0.92 0.00 0.00 175.35 175.19 3h3s s ARG 471 N -4.06 3.06 0.00 1.68 0.52 -1.26 -4.78 118.95 114.11 3h3s s ARG 471 Ca 0.73 0.39 0.28 0.00 -0.52 0.00 0.00 55.73 56.62 3h3s s ARG 471 Cb -0.29 -4.23 1.15 0.00 0.52 0.00 0.00 34.95 32.10 3h3s s ARG 471 CO 0.49 -2.24 1.80 1.33 0.02 0.00 0.00 175.30 176.70 3h3s n VAL 472 N 6.89 0.00 -4.07 3.52 0.24 -1.26 -4.79 118.33 118.86 3h3s n VAL 472 Ca 0.13 -0.12 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 3h3s n VAL 472 Cb 0.50 0.14 -0.09 0.00 -1.47 0.00 0.00 33.84 32.93 3h3s n VAL 472 CO 0.00 0.00 0.00 -1.66 -2.14 0.00 0.00 176.83 173.03 3h3s s TRP 473 N -2.29 0.66 -0.70 6.34 -2.14 -1.26 -4.93 118.94 114.64 3h3s s TRP 473 Ca 0.33 -1.03 -0.27 0.00 2.66 0.00 0.00 56.10 57.79 3h3s s TRP 473 Cb 0.20 -0.29 0.02 0.00 -3.10 0.00 0.00 33.47 30.30 3h3s s TRP 473 CO 0.43 -0.62 1.40 -1.25 -2.66 0.00 0.00 176.95 174.25 3h3s s PRO 474 N -4.02 3.11 0.01 3.25 0.04 -1.26 -4.83 135.00 131.30 3h3s s PRO 474 Ca 0.22 -0.01 -0.08 0.00 0.04 0.00 0.00 61.00 61.17 3h3s s PRO 474 Cb 0.06 -4.21 0.03 0.00 0.04 0.00 0.00 34.50 30.41 3h3s s PRO 474 CO 0.01 -2.22 0.36 0.00 0.04 0.00 0.00 177.00 175.19 3h3s n ALA 475 N 9.99 -0.99 -1.60 8.56 0.00 -1.26 -5.13 120.51 130.07 3h3s n ALA 475 Ca 0.07 -0.25 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 3h3s n ALA 475 Cb 0.50 0.07 0.04 0.00 0.00 0.00 0.00 19.45 20.05 3h3s n ALA 475 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h3s n SER 476 N -0.50 0.80 -4.76 0.00 7.64 -1.26 -4.91 113.62 110.64 3h3s n SER 476 Ca 0.01 0.87 -0.37 0.00 1.01 0.00 0.00 58.87 60.39 3h3s n SER 476 Cb 0.17 -1.37 0.02 0.00 -1.01 0.00 0.00 64.21 62.02 3h3s n SER 476 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3h3s s GLN 477 N -2.50 3.33 -0.10 1.43 0.74 -1.26 -4.80 119.66 116.49 3h3s s GLN 477 Ca 0.71 1.86 -0.05 0.00 0.05 0.00 0.00 55.36 57.93 3h3s s GLN 477 Cb -0.45 -2.17 -0.04 0.00 1.10 0.00 0.00 33.01 31.45 3h3s s GLN 477 CO 0.50 -0.93 0.12 1.03 -0.55 0.00 0.00 175.29 175.47 3h3s s ARG 478 N -3.03 3.35 0.39 1.67 3.00 -1.26 -1.00 118.95 122.08 3h3s s ARG 478 Ca 0.71 -0.21 0.08 0.00 0.00 0.00 0.00 55.73 56.30 3h3s s ARG 478 Cb -0.31 -3.10 -0.06 0.00 0.00 0.00 0.00 34.95 31.48 3h3s s ARG 478 CO 0.35 0.75 0.11 0.16 0.00 0.00 0.00 175.30 176.68 3h3s s ASP 479 N -1.15 4.31 -0.01 0.23 1.47 0.12 -1.17 116.67 120.46 3h3s s ASP 479 Ca 0.17 -1.08 -0.15 0.00 1.18 0.00 0.00 52.55 52.67 3h3s s ASP 479 Cb -0.12 -0.50 0.02 0.00 -0.34 0.00 0.00 42.92 41.99 3h3s s ASP 479 CO 0.06 -0.44 0.32 0.54 0.68 0.00 0.00 175.17 176.32 3h3s s VAL 480 N -2.58 0.06 -0.13 2.11 0.11 -0.02 -1.24 120.40 118.70 3h3s s VAL 480 Ca 0.39 -0.48 -0.03 0.00 -2.93 0.00 0.00 61.98 58.93 3h3s s VAL 480 Cb 0.03 -0.64 0.05 0.00 -1.53 0.00 0.00 36.38 34.29 3h3s s VAL 480 CO 0.21 -0.26 0.05 -0.22 -3.33 0.00 0.00 175.10 171.55 3h3s s LEU 481 N -1.37 0.58 -0.01 2.54 2.96 -1.26 -1.08 118.68 121.05 3h3s s LEU 481 Ca -0.13 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 3h3s s LEU 481 Cb -0.05 -0.36 0.00 0.00 0.50 0.00 0.00 46.19 46.28 3h3s s LEU 481 CO 0.04 -0.28 0.14 -0.72 -1.32 0.00 0.00 176.35 174.21 3h3s s TYR 482 N 2.03 -0.00 0.09 5.38 -0.85 -0.11 -2.09 117.35 121.79 3h3s s TYR 482 Ca 0.03 -0.02 -0.28 0.00 -0.52 0.00 0.00 57.07 56.28 3h3s s TYR 482 Cb -0.15 -0.03 -0.06 0.00 0.38 0.00 0.00 41.96 42.11 3h3s s TYR 482 CO -0.07 -0.25 0.88 -1.17 -1.52 0.00 0.00 175.55 173.42 3h3s s LEU 483 N -1.10 4.48 -0.16 -3.49 0.20 0.07 -0.71 118.68 117.97 3h3s s LEU 483 Ca -0.12 1.65 0.01 0.00 0.69 0.00 0.00 54.13 56.36 3h3s s LEU 483 Cb -0.06 -3.43 0.02 0.00 -0.43 0.00 0.00 46.19 42.29 3h3s s LEU 483 CO 0.01 -0.02 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.35 3h3s s SER 484 N -0.07 2.84 -0.00 3.68 0.15 0.12 -1.49 113.70 118.93 3h3s s SER 484 Ca 0.43 -0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.55 3h3s s SER 484 Cb -0.22 -1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.84 3h3s s SER 484 CO 0.27 -0.06 -0.08 0.54 1.20 0.00 0.00 173.24 175.11 3h3s s VAL 485 N 1.44 0.61 -0.10 4.45 0.11 -0.57 -1.36 120.40 125.00 3h3s s VAL 485 Ca 0.04 -0.40 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 3h3s s VAL 485 Cb -0.13 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 3h3s s VAL 485 CO -0.11 0.13 -0.20 -0.51 -3.33 0.00 0.00 175.10 171.09 3h3s s ILE 486 N -0.28 2.49 0.02 7.04 2.07 -0.51 -1.05 121.20 130.98 3h3s s ILE 486 Ca 0.02 -0.88 0.00 0.00 -1.41 0.00 0.00 60.65 58.39 3h3s s ILE 486 Cb -0.04 -1.98 -0.02 0.00 0.13 0.00 0.00 42.46 40.56 3h3s s ILE 486 CO -0.00 0.55 -0.04 -0.13 -1.91 0.00 0.00 174.94 173.42 3h3s s ARG 487 N 0.12 0.31 -0.18 3.50 1.81 0.08 -4.86 118.95 119.74 3h3s s ARG 487 Ca -0.10 -0.56 -0.08 0.00 -1.72 0.00 0.00 55.73 53.28 3h3s s ARG 487 Cb -0.16 0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 3h3s s ARG 487 CO 0.06 -0.02 0.08 0.21 -0.68 0.00 0.00 175.30 174.94 3h3s s LYS 488 N -1.28 3.99 -0.33 3.54 2.20 -1.26 -0.89 119.74 125.71 3h3s s LYS 488 Ca -0.13 -0.31 -0.12 0.00 -0.36 0.00 0.00 55.97 55.06 3h3s s LYS 488 Cb -0.09 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 3h3s s LYS 488 CO -0.01 0.31 0.21 0.42 -0.36 0.00 0.00 175.35 175.92 3h3s s ILE 489 N 0.29 5.06 0.68 5.43 -1.09 0.27 -4.99 121.20 126.84 3h3s s ILE 489 Ca 0.05 -0.26 -0.16 0.00 -2.23 0.00 0.00 60.65 58.04 3h3s s ILE 489 Cb -0.12 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 3h3s s ILE 489 CO -0.00 0.03 1.19 -2.16 -1.23 0.00 0.00 174.94 172.77 3h3s s PRO 490 N 1.69 2.49 0.14 2.79 0.04 -1.26 -1.80 135.00 139.09 3h3s s PRO 490 Ca 0.06 1.72 -0.24 0.00 0.04 0.00 0.00 61.00 62.58 3h3s s PRO 490 Cb -0.17 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3h3s s PRO 490 CO 0.09 -1.56 0.72 0.00 0.04 0.00 0.00 177.00 176.29 3h3s s ALA 491 N -1.93 3.49 -1.03 8.56 0.00 -1.26 -4.77 121.76 124.81 3h3s s ALA 491 Ca 0.74 0.27 0.09 0.00 0.00 0.00 0.00 51.96 53.06 3h3s s ALA 491 Cb -0.28 -2.87 0.13 0.00 0.00 0.00 0.00 23.12 20.10 3h3s s ALA 491 CO 0.41 0.32 0.92 1.28 0.00 0.00 0.00 175.76 178.70 3h3s n LEU 492 N 1.60 2.07 -4.61 0.00 4.77 -1.26 -4.94 117.00 114.64 3h3s n LEU 492 Ca -0.07 -1.31 -0.25 0.00 -0.03 0.00 0.00 56.01 54.35 3h3s n LEU 492 Cb 0.49 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 3h3s n LEU 492 CO 0.45 0.45 -0.32 0.42 -1.33 0.00 0.00 177.39 177.05 3h3s s THR 493 N -0.84 2.51 -0.04 -5.08 -4.23 -1.26 -5.06 115.64 101.64 3h3s s THR 493 Ca 0.13 -2.04 0.16 0.00 -1.18 0.00 0.00 61.69 58.77 3h3s s THR 493 Cb 0.08 -2.76 0.08 0.00 1.34 0.00 0.00 72.50 71.25 3h3s s THR 493 CO 0.12 -0.20 1.54 1.05 -0.54 0.00 0.00 174.62 176.59 3h3s h GLU 494 N 1.87 0.00 0.00 3.99 4.11 -2.03 -3.34 114.58 119.18 3h3s h GLU 494 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3h3s h GLU 494 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3h3s h GLU 494 CO 0.68 0.47 0.00 0.09 0.07 0.00 0.00 179.01 180.32 3h3s n ASN 495 N -3.32 0.91 -4.85 3.06 5.03 -1.26 -5.02 115.26 109.81 3h3s n ASN 495 Ca 0.01 -1.11 -0.36 0.00 0.87 0.00 0.00 54.58 53.99 3h3s n ASN 495 Cb 0.66 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.37 3h3s n ASN 495 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3h3s s ASP 496 N -0.11 6.72 0.50 6.41 1.01 -1.26 -5.04 116.67 124.90 3h3s s ASP 496 Ca 0.00 0.88 -0.22 0.00 0.71 0.00 0.00 52.55 53.92 3h3s s ASP 496 Cb 0.00 -2.21 -0.06 0.00 1.01 0.00 0.00 42.92 41.65 3h3s s ASP 496 CO 0.00 0.24 1.24 -2.16 0.21 0.00 0.00 175.17 174.70 3h3s s PRO 497 N -1.54 3.48 0.66 8.23 0.04 -1.26 -4.81 135.00 139.79 3h3s s PRO 497 Ca 0.29 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 63.13 3h3s s PRO 497 Cb -0.15 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.06 3h3s s PRO 497 CO 0.16 -0.83 1.12 -1.21 0.04 0.00 0.00 177.00 176.28 3h3s s GLU 498 N -2.81 2.77 -0.11 4.56 2.02 -1.26 -4.65 118.70 119.21 3h3s s GLU 498 Ca 0.67 1.45 0.01 0.00 0.02 0.00 0.00 54.97 57.12 3h3s s GLU 498 Cb -0.33 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 3h3s s GLU 498 CO 0.40 -1.28 -0.13 0.99 0.02 0.00 0.00 175.26 175.25 3h3s s THR 499 N -2.25 3.04 -0.11 3.63 2.01 -0.74 -4.28 115.64 116.94 3h3s s THR 499 Ca 0.68 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 3h3s s THR 499 Cb -0.22 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3h3s s THR 499 CO 0.41 0.54 0.03 0.26 -0.69 0.00 0.00 174.62 175.17 3h3s s TRP 500 N 0.13 3.24 -0.01 4.92 0.52 -0.12 0.94 118.94 128.57 3h3s s TRP 500 Ca -0.07 0.20 0.02 0.00 0.02 0.00 0.00 56.10 56.27 3h3s s TRP 500 Cb -0.15 -1.88 -0.00 0.00 -1.15 0.00 0.00 33.47 30.29 3h3s s TRP 500 CO 0.05 0.43 -0.06 -1.50 0.02 0.00 0.00 176.95 175.88 3h3s s ILE 501 N -0.61 0.50 -0.16 2.03 2.07 -0.07 0.13 121.20 125.09 3h3s s ILE 501 Ca 0.11 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 3h3s s ILE 501 Cb -0.12 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.05 3h3s s ILE 501 CO 0.02 0.14 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.35 3h3s s VAL 502 N -0.12 2.53 -0.12 4.00 1.01 -0.34 -0.74 120.40 126.63 3h3s s VAL 502 Ca 0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 3h3s s VAL 502 Cb -0.03 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3h3s s VAL 502 CO -0.00 0.52 -0.10 0.00 0.00 0.00 0.00 175.10 175.51 3h3s s ASN 504 N 0.10 4.45 0.01 0.00 0.02 0.11 -1.51 114.94 118.11 3h3s s ASN 504 Ca -0.04 -1.38 0.01 0.00 -1.02 0.00 0.00 52.86 50.42 3h3s s ASN 504 Cb -0.14 -1.55 -0.01 0.00 0.02 0.00 0.00 41.25 39.56 3h3s s ASN 504 CO 0.04 -0.19 -0.04 0.72 0.02 0.00 0.00 177.10 177.65 3h3s s PHE 505 N 1.11 0.34 0.36 2.20 -0.12 -0.56 -0.74 117.98 120.57 3h3s s PHE 505 Ca -0.09 -0.20 -0.28 0.00 -0.05 0.00 0.00 56.93 56.31 3h3s s PHE 505 Cb -0.20 -0.22 -0.11 0.00 -0.63 0.00 0.00 43.02 41.87 3h3s s PHE 505 CO -0.05 -0.04 1.41 -1.12 -0.05 0.00 0.00 175.22 175.37 3h3s s SER 506 N -0.54 6.50 0.15 1.98 0.01 -0.32 -0.75 113.70 120.72 3h3s s SER 506 Ca -0.03 2.90 0.01 0.00 1.31 0.00 0.00 55.95 60.14 3h3s s SER 506 Cb -0.04 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 3h3s s SER 506 CO -0.00 -0.75 0.01 0.68 0.41 0.00 0.00 173.24 173.58 3h3s s VAL 507 N -1.13 0.55 0.33 3.43 -7.23 -0.89 -4.81 120.40 110.64 3h3s s VAL 507 Ca 0.51 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 3h3s s VAL 507 Cb -0.44 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 3h3s s VAL 507 CO 0.59 -0.53 0.58 -1.81 -0.31 0.00 0.00 175.10 173.61 3h3s s ASP 508 N -3.13 6.38 -0.25 4.85 1.01 -1.26 -4.62 116.67 119.66 3h3s s ASP 508 Ca 0.22 0.67 -0.16 0.00 0.71 0.00 0.00 52.55 53.99 3h3s s ASP 508 Cb 0.06 -2.13 0.07 0.00 1.01 0.00 0.00 42.92 41.94 3h3s s ASP 508 CO 0.02 -0.27 0.62 -2.28 0.21 0.00 0.00 175.17 173.48 3h3s s HIS 509 N -2.22 -0.88 0.53 4.23 2.46 -1.26 -5.04 115.29 113.11 3h3s s HIS 509 Ca 0.43 1.86 0.35 0.00 0.47 0.00 0.00 55.06 58.17 3h3s s HIS 509 Cb -0.10 0.46 1.91 0.00 -0.13 0.00 0.00 32.58 34.72 3h3s s HIS 509 CO 0.33 -0.44 2.23 -0.44 -2.47 0.00 0.00 174.74 173.95 3h3s h ASP 510 N 6.52 0.00 1.04 9.88 3.32 -2.01 -0.57 116.42 134.60 3h3s h ASP 510 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3h3s h ASP 510 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3h3s h ASP 510 CO 0.17 0.03 0.00 -1.20 -1.72 0.00 0.00 179.24 176.52 3h3s n SER 511 N -3.45 0.50 -3.20 6.45 7.64 -1.26 -4.05 113.62 116.25 3h3s n SER 511 Ca -0.02 0.58 -0.22 0.00 1.01 0.00 0.00 58.87 60.21 3h3s n SER 511 Cb 0.14 -0.70 -0.06 0.00 -1.01 0.00 0.00 64.21 62.58 3h3s n SER 511 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h3s n ALA 512 N -1.69 2.56 -0.94 -0.43 0.00 -0.22 -5.11 120.51 114.67 3h3s n ALA 512 Ca 0.05 -3.59 -0.29 0.00 0.00 0.00 0.00 53.44 49.61 3h3s n ALA 512 Cb 0.32 -0.85 0.20 0.00 0.00 0.00 0.00 19.45 19.11 3h3s n ALA 512 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h3s s PRO 513 N -1.82 0.11 0.51 0.00 0.04 -1.23 -4.56 135.00 128.05 3h3s s PRO 513 Ca 0.38 0.72 -0.23 0.00 0.04 0.00 0.00 61.00 61.90 3h3s s PRO 513 Cb 0.23 -1.68 -0.06 0.00 0.04 0.00 0.00 34.50 33.03 3h3s s PRO 513 CO -0.09 -3.00 1.40 -0.51 0.04 0.00 0.00 177.00 174.84 3h3s s LEU 514 N -6.69 3.95 0.38 -3.56 1.43 -1.26 -5.02 118.68 107.92 3h3s s LEU 514 Ca 0.66 2.86 0.04 0.00 -1.03 0.00 0.00 54.13 56.66 3h3s s LEU 514 Cb -0.21 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 3h3s s LEU 514 CO 0.60 -1.44 0.10 0.54 0.23 0.00 0.00 176.35 176.38 3h3s s ASN 515 N -0.74 2.66 0.00 2.29 2.20 -1.26 -5.06 114.94 115.04 3h3s s ASN 515 Ca 0.67 -1.58 0.22 0.00 -0.94 0.00 0.00 52.86 51.24 3h3s s ASN 515 Cb -0.42 0.33 0.51 0.00 -2.00 0.00 0.00 41.25 39.66 3h3s s ASN 515 CO 0.52 -0.83 1.44 -0.46 -2.94 0.00 0.00 177.10 174.83 3h3s n ASN 516 N -1.10 3.16 -0.03 3.54 0.23 -1.26 -4.18 115.26 115.62 3h3s n ASN 516 Ca -0.05 -1.95 -0.21 0.00 -0.53 0.00 0.00 54.58 51.83 3h3s n ASN 516 Cb 0.66 -0.26 -0.13 0.00 -2.08 0.00 0.00 39.78 37.96 3h3s n ASN 516 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3h3s n ARG 517 N 1.28 0.71 -4.38 -3.83 1.74 -1.26 -5.00 116.66 105.93 3h3s n ARG 517 Ca 0.19 0.30 -0.26 0.00 -0.77 0.00 0.00 57.85 57.31 3h3s n ARG 517 Cb 0.55 -1.69 -0.12 0.00 -1.02 0.00 0.00 32.46 30.18 3h3s n ARG 517 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h3s s VAL 519 N -1.58 4.93 -0.49 0.00 1.01 -0.17 -4.64 120.40 119.46 3h3s s VAL 519 Ca 0.17 1.69 -0.27 0.00 0.00 0.00 0.00 61.98 63.56 3h3s s VAL 519 Cb -0.08 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.18 3h3s s VAL 519 CO 0.08 0.24 1.04 -0.60 0.00 0.00 0.00 175.10 175.86 3h3s s ARG 520 N 0.70 3.58 0.67 2.72 6.06 -1.26 -0.71 118.95 130.72 3h3s s ARG 520 Ca 0.43 0.28 -0.11 0.00 -2.50 0.00 0.00 55.73 53.82 3h3s s ARG 520 Cb -0.19 -3.94 -0.01 0.00 0.06 0.00 0.00 34.95 30.87 3h3s s ARG 520 CO 0.22 -1.36 1.06 0.00 -2.50 0.00 0.00 175.30 172.72 3h3s s ALA 521 N 4.18 2.93 -0.04 6.12 0.00 -0.37 -4.58 121.76 130.00 3h3s s ALA 521 Ca 0.41 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.25 3h3s s ALA 521 Cb -0.09 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 3h3s s ALA 521 CO 0.28 -0.98 -0.19 0.15 0.00 0.00 0.00 175.76 175.02 3h3s s LYS 522 N -5.23 1.84 0.08 0.00 -0.14 -0.47 -4.62 119.74 111.19 3h3s s LYS 522 Ca 0.57 -0.69 0.03 0.00 -1.36 0.00 0.00 55.97 54.52 3h3s s LYS 522 Cb -0.12 -1.65 -0.03 0.00 -1.68 0.00 0.00 37.83 34.35 3h3s s LYS 522 CO 0.53 0.33 -0.10 0.96 -0.76 0.00 0.00 175.35 176.32 3h3s s ILE 523 N -0.17 0.82 -0.25 2.17 -4.36 -1.26 -0.59 121.20 117.55 3h3s s ILE 523 Ca 0.00 -1.47 -0.03 0.00 -0.26 0.00 0.00 60.65 58.89 3h3s s ILE 523 Cb -0.10 -1.15 0.10 0.00 1.25 0.00 0.00 42.46 42.56 3h3s s ILE 523 CO 0.01 -0.50 0.19 0.21 0.24 0.00 0.00 174.94 175.09 3h3s s ASN 524 N -2.18 2.36 0.03 4.36 2.47 -0.11 -1.18 114.94 120.69 3h3s s ASN 524 Ca 0.01 -0.80 0.04 0.00 0.42 0.00 0.00 52.86 52.52 3h3s s ASN 524 Cb -0.05 0.07 -0.02 0.00 -1.45 0.00 0.00 41.25 39.81 3h3s s ASN 524 CO -0.00 -0.39 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.18 3h3s s VAL 525 N 2.23 0.94 -0.05 -5.21 1.01 0.08 -0.91 120.40 118.49 3h3s s VAL 525 Ca 0.08 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3h3s s VAL 525 Cb -0.15 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.38 3h3s s VAL 525 CO -0.26 -0.02 0.14 0.00 0.00 0.00 0.00 175.10 174.96 3h3s s ALA 526 N -0.80 -0.34 -0.18 5.51 0.00 -0.25 -0.71 121.76 124.98 3h3s s ALA 526 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 3h3s s ALA 526 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3h3s s ALA 526 CO 0.01 -0.08 -0.10 1.41 0.00 0.00 0.00 175.76 176.99 3h3s s MET 527 N -0.08 3.31 -0.17 0.00 1.75 -0.01 -1.05 119.30 123.05 3h3s s MET 527 Ca -0.02 -0.68 0.02 0.00 -1.25 0.00 0.00 55.69 53.76 3h3s s MET 527 Cb -0.02 -2.80 0.02 0.00 2.84 0.00 0.00 34.83 34.87 3h3s s MET 527 CO 0.00 -0.06 -0.21 0.42 -0.65 0.00 0.00 175.02 174.53 3h3s s ILE 528 N 1.06 2.07 -0.02 10.11 1.01 0.19 -1.19 121.20 134.41 3h3s s ILE 528 Ca -0.00 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.74 3h3s s ILE 528 Cb -0.15 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 3h3s s ILE 528 CO -0.02 0.54 -0.15 0.00 0.00 0.00 0.00 174.94 175.32 3h3s s GLN 530 N -0.18 1.12 -0.22 0.00 -0.21 -0.55 -0.95 119.66 118.68 3h3s s GLN 530 Ca 0.02 -0.72 -0.08 0.00 0.02 0.00 0.00 55.36 54.60 3h3s s GLN 530 Cb -0.08 -1.14 -0.04 0.00 1.00 0.00 0.00 33.01 32.76 3h3s s GLN 530 CO 0.00 0.29 0.09 0.99 -2.12 0.00 0.00 175.29 174.54 3h3s s THR 531 N -0.67 4.74 -0.21 -0.19 2.01 -1.26 -0.58 115.64 119.47 3h3s s THR 531 Ca 0.04 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 3h3s s THR 531 Cb -0.07 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 3h3s s THR 531 CO 0.01 0.39 0.14 -0.76 -0.69 0.00 0.00 174.62 173.70 3h3s s LEU 532 N 0.97 4.15 -0.09 4.42 1.43 -0.19 -4.66 118.68 124.71 3h3s s LEU 532 Ca 0.05 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3h3s s LEU 532 Cb -0.14 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 3h3s s LEU 532 CO 0.03 0.14 -0.22 -0.69 0.23 0.00 0.00 176.35 175.84 3h3s s VAL 533 N 0.61 2.27 -0.28 -1.59 1.01 -1.26 -1.59 120.40 119.57 3h3s s VAL 533 Ca 0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 3h3s s VAL 533 Cb -0.12 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.43 3h3s s VAL 533 CO 0.00 0.56 -0.02 -0.94 0.00 0.00 0.00 175.10 174.70 3h3s s SER 534 N 0.08 4.66 0.58 3.32 1.04 -0.34 -5.03 113.70 118.01 3h3s s SER 534 Ca -0.10 -1.05 -0.18 0.00 0.48 0.00 0.00 55.95 55.10 3h3s s SER 534 Cb -0.16 -1.70 -0.09 0.00 0.10 0.00 0.00 66.02 64.17 3h3s s SER 534 CO 0.06 -0.20 0.41 -2.65 0.98 0.00 0.00 173.24 171.85 3h3s n PRO 535 N 4.66 0.41 -0.75 4.02 -0.02 -1.26 -4.72 135.00 137.35 3h3s n PRO 535 Ca -0.15 0.16 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 3h3s n PRO 535 Cb 0.45 -1.60 0.01 0.00 -0.02 0.00 0.00 33.50 32.34 3h3s n PRO 535 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3h3s n PRO 536 N 0.14 0.48 -1.91 0.52 -0.04 -1.26 -5.02 135.00 127.91 3h3s n PRO 536 Ca 0.11 -0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 3h3s n PRO 536 Cb 0.48 -0.07 -0.03 0.00 -0.04 0.00 0.00 33.50 33.84 3h3s n PRO 536 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3h3s s GLU 537 N -2.71 4.20 6.94 0.54 1.03 -1.26 -4.85 118.70 122.59 3h3s s GLU 537 Ca 0.07 2.37 0.00 0.00 0.03 0.00 0.00 54.97 57.44 3h3s s GLU 537 Cb -0.00 -3.35 0.00 0.00 -0.80 0.00 0.00 34.13 29.98 3h3s s GLU 537 CO 0.04 -0.68 0.00 0.41 -1.33 0.00 0.00 175.26 173.71 3h3s n GLY 538 N 3.88 2.94 1.83 -3.83 0.00 -1.26 -2.65 105.19 106.10 3h3s n GLY 538 Ca 0.15 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3h3s n GLY 538 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h3s n ASN 539 N 3.83 5.62 -4.79 1.61 3.02 -1.26 -5.00 115.26 118.28 3h3s n ASN 539 Ca 0.00 -2.92 -0.33 0.00 -0.03 0.00 0.00 54.58 51.30 3h3s n ASN 539 Cb 0.00 -0.68 0.01 0.00 -0.61 0.00 0.00 39.78 38.50 3h3s n ASN 539 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3h3s s GLN 540 N -2.73 3.29 0.68 3.52 -0.21 -1.09 -5.03 119.66 118.10 3h3s s GLN 540 Ca 0.54 1.32 -0.11 0.00 0.02 0.00 0.00 55.36 57.13 3h3s s GLN 540 Cb 0.41 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 32.40 3h3s s GLN 540 CO 0.16 -0.85 1.06 -1.21 -2.12 0.00 0.00 175.29 172.34 3h3s s GLU 541 N -3.85 3.04 0.24 2.91 2.02 -1.26 -4.66 118.70 117.14 3h3s s GLU 541 Ca 0.66 0.70 -0.31 0.00 0.02 0.00 0.00 54.97 56.05 3h3s s GLU 541 Cb -0.18 -2.02 -0.11 0.00 0.10 0.00 0.00 34.13 31.92 3h3s s GLU 541 CO 0.34 -0.96 1.60 0.42 0.02 0.00 0.00 175.26 176.68 3h3s s ILE 542 N -3.19 2.25 0.53 -1.63 -1.09 -1.26 -4.85 121.20 111.96 3h3s s ILE 542 Ca 0.57 0.20 0.01 0.00 -2.23 0.00 0.00 60.65 59.20 3h3s s ILE 542 Cb -0.12 -3.12 0.01 0.00 -1.58 0.00 0.00 42.46 37.64 3h3s s ILE 542 CO 0.54 0.02 0.07 -0.94 -1.23 0.00 0.00 174.94 173.40 3h3s s SER 543 N 0.79 4.24 0.08 3.58 1.04 -1.26 -5.00 113.70 117.17 3h3s s SER 543 Ca 0.67 -1.63 0.17 0.00 0.48 0.00 0.00 55.95 55.64 3h3s s SER 543 Cb -0.47 0.64 0.74 0.00 0.10 0.00 0.00 66.02 67.03 3h3s s SER 543 CO 0.40 -0.96 1.54 0.54 0.98 0.00 0.00 173.24 175.74 3h3s n ARG 544 N -1.39 0.06 0.09 4.02 1.74 -1.26 -1.26 116.66 118.66 3h3s n ARG 544 Ca -0.18 0.30 0.11 0.00 -0.77 0.00 0.00 57.85 57.32 3h3s n ARG 544 Cb 0.67 -1.62 0.45 0.00 -1.02 0.00 0.00 32.46 30.94 3h3s n ARG 544 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3h3s n ASP 545 N -1.74 0.51 -1.12 0.55 8.00 -1.26 -3.25 116.55 118.24 3h3s n ASP 545 Ca 0.03 0.60 0.09 0.00 0.71 0.00 0.00 54.79 56.22 3h3s n ASP 545 Cb 0.19 -0.72 0.27 0.00 -0.02 0.00 0.00 41.12 40.84 3h3s n ASP 545 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3h3s n ASN 546 N -2.03 3.74 -4.11 -2.24 3.02 -0.39 -4.98 115.26 108.28 3h3s n ASN 546 Ca 0.04 -2.13 -0.19 0.00 -0.03 0.00 0.00 54.58 52.27 3h3s n ASN 546 Cb 0.28 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 38.90 3h3s n ASN 546 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3h3s s ILE 547 N -1.25 0.95 -0.01 2.41 -4.36 -1.20 -1.19 121.20 116.54 3h3s s ILE 547 Ca 0.40 -0.91 -0.00 0.00 -0.26 0.00 0.00 60.65 59.88 3h3s s ILE 547 Cb 0.23 -0.87 0.02 0.00 1.25 0.00 0.00 42.46 43.09 3h3s s ILE 547 CO 0.24 -0.03 0.02 -0.22 0.24 0.00 0.00 174.94 175.19 3h3s s LEU 548 N -1.07 1.35 -0.27 0.37 2.96 -0.62 -0.86 118.68 120.54 3h3s s LEU 548 Ca -0.00 0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.83 3h3s s LEU 548 Cb -0.07 -0.05 -0.05 0.00 0.50 0.00 0.00 46.19 46.52 3h3s s LEU 548 CO 0.01 -0.09 0.17 0.00 -1.32 0.00 0.00 176.35 175.12 3h3s s LYS 550 N 1.63 4.21 -0.05 0.00 1.02 0.25 -0.55 119.74 126.26 3h3s s LYS 550 Ca 0.07 0.48 0.06 0.00 0.02 0.00 0.00 55.97 56.60 3h3s s LYS 550 Cb -0.16 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.59 3h3s s LYS 550 CO 0.09 -0.14 -0.23 0.42 -0.92 0.00 0.00 175.35 174.57 3h3s s ILE 551 N 1.59 2.22 -0.14 2.17 1.01 0.07 -1.49 121.20 126.64 3h3s s ILE 551 Ca 0.26 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.90 3h3s s ILE 551 Cb -0.16 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.52 3h3s s ILE 551 CO 0.10 0.57 -0.16 -0.89 0.00 0.00 0.00 174.94 174.56 3h3s s THR 552 N -0.29 1.65 -0.14 2.92 2.01 -0.28 -1.52 115.64 120.00 3h3s s THR 552 Ca 0.00 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.31 3h3s s THR 552 Cb -0.13 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 70.87 3h3s s THR 552 CO 0.02 0.47 -0.19 -0.47 -0.69 0.00 0.00 174.62 173.77 3h3s s TYR 553 N 1.20 2.70 -0.05 4.92 5.04 0.15 -0.64 117.35 130.67 3h3s s TYR 553 Ca -0.01 -1.10 0.04 0.00 -2.44 0.00 0.00 57.07 53.57 3h3s s TYR 553 Cb -0.14 -1.82 -0.00 0.00 0.35 0.00 0.00 41.96 40.35 3h3s s TYR 553 CO -0.06 -0.48 -0.17 0.14 -1.34 0.00 0.00 175.55 173.63 3h3s s VAL 554 N 0.66 1.46 -0.07 3.14 -7.23 -0.21 -0.26 120.40 117.88 3h3s s VAL 554 Ca -0.09 -0.72 -0.00 0.00 -1.81 0.00 0.00 61.98 59.35 3h3s s VAL 554 Cb -0.16 -1.25 0.03 0.00 0.56 0.00 0.00 36.38 35.55 3h3s s VAL 554 CO 0.02 0.42 -0.03 0.00 -0.31 0.00 0.00 175.10 175.20 3h3s s ALA 555 N 0.08 0.78 -0.25 1.32 0.00 -0.44 -1.09 121.76 122.16 3h3s s ALA 555 Ca -0.05 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3h3s s ALA 555 Cb -0.12 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.39 3h3s s ALA 555 CO 0.03 -0.29 -0.09 -0.80 0.00 0.00 0.00 175.76 174.61 3h3s s ASN 556 N 1.54 4.29 -0.06 0.00 0.01 -0.09 -1.33 114.94 119.30 3h3s s ASN 556 Ca -0.01 -1.12 0.03 0.00 -0.71 0.00 0.00 52.86 51.04 3h3s s ASN 556 Cb -0.13 -1.60 0.01 0.00 0.41 0.00 0.00 41.25 39.94 3h3s s ASN 556 CO -0.04 -0.16 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.57 3h3s s VAL 557 N 1.21 1.18 -0.40 1.60 1.01 -1.26 -0.93 120.40 122.81 3h3s s VAL 557 Ca -0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 3h3s s VAL 557 Cb -0.18 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.20 3h3s s VAL 557 CO -0.05 0.36 0.24 0.21 0.00 0.00 0.00 175.10 175.85 3h3s s ASN 558 N 0.46 5.70 0.11 3.32 3.84 0.24 -4.64 114.94 123.96 3h3s s ASN 558 Ca -0.11 -1.26 0.19 0.00 0.21 0.00 0.00 52.86 51.89 3h3s s ASN 558 Cb -0.14 -2.01 0.78 0.00 -0.55 0.00 0.00 41.25 39.33 3h3s s ASN 558 CO 0.03 -0.47 1.58 -2.65 -2.79 0.00 0.00 177.10 172.80 3h3s n PRO 559 N 4.97 0.08 -0.59 0.43 -0.02 -1.26 -1.37 135.00 137.25 3h3s n PRO 559 Ca -0.11 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 61.77 3h3s n PRO 559 Cb 0.44 -1.66 -0.02 0.00 -0.02 0.00 0.00 33.50 32.24 3h3s n PRO 559 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h3s n GLY 560 N 0.03 -1.71 7.00 -1.23 0.00 -1.26 -4.31 105.19 103.70 3h3s n GLY 560 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3h3s n GLY 560 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3s n GLY 561 N -2.56 2.19 3.00 -0.02 0.00 -1.26 -4.69 105.19 101.85 3h3s n GLY 561 Ca -0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 3h3s n GLY 561 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3h3s s TRP 562 N 0.00 -0.15 0.06 1.61 -0.00 -1.26 -5.09 118.94 114.11 3h3s s TRP 562 Ca 0.00 0.37 -0.18 0.00 -0.00 0.00 0.00 56.10 56.29 3h3s s TRP 562 Cb 0.00 0.04 0.04 0.00 -0.00 0.00 0.00 33.47 33.54 3h3s s TRP 562 CO 0.00 -0.08 0.42 0.00 -0.00 0.00 0.00 176.95 177.29 3h3s s ALA 563 N 0.17 -1.01 0.29 5.86 0.00 -1.26 -5.04 121.76 120.76 3h3s s ALA 563 Ca -0.01 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 3h3s s ALA 563 Cb -0.02 0.40 -0.11 0.00 0.00 0.00 0.00 23.12 23.39 3h3s s ALA 563 CO -0.00 -0.49 1.59 -2.14 0.00 0.00 0.00 175.76 174.72 3h3s s PRO 564 N -2.67 4.13 0.18 0.00 0.02 -1.26 -4.89 135.00 130.50 3h3s s PRO 564 Ca -0.04 2.57 -0.14 0.00 0.02 0.00 0.00 61.00 63.41 3h3s s PRO 564 Cb -0.00 -3.03 0.13 0.00 0.02 0.00 0.00 34.50 31.62 3h3s s PRO 564 CO -0.04 -0.63 1.77 0.00 -0.33 0.00 0.00 177.00 177.77 3h3s h ALA 565 N 4.90 0.58 0.00 -1.55 0.00 -2.00 -2.06 119.26 119.13 3h3s h ALA 565 Ca -0.47 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3h3s h ALA 565 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3h3s h ALA 565 CO 0.80 -0.17 -0.22 0.66 0.00 0.00 0.00 179.25 180.31 3h3s h SER 566 N 0.40 0.00 -0.07 0.00 4.64 -1.99 -1.22 113.55 115.31 3h3s h SER 566 Ca 0.21 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 3h3s h SER 566 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3h3s h SER 566 CO -0.19 0.22 -0.22 0.58 -0.87 0.00 0.00 176.83 176.36 3h3s h VAL 567 N 0.00 1.43 -0.49 0.95 2.07 -1.82 -1.83 116.25 116.56 3h3s h VAL 567 Ca -0.00 -1.60 0.02 0.00 0.82 0.00 0.00 66.70 65.94 3h3s h VAL 567 Cb 0.42 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3h3s h VAL 567 CO 0.03 0.45 0.30 -0.07 0.02 0.00 0.00 177.57 178.30 3h3s h LEU 568 N -0.23 0.50 -0.82 2.57 3.38 -1.06 -0.75 115.31 118.90 3h3s h LEU 568 Ca -0.01 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3h3s h LEU 568 Cb 0.85 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3h3s h LEU 568 CO 0.05 0.35 -0.39 0.03 0.09 0.00 0.00 178.44 178.57 3h3s h ARG 569 N 0.61 0.41 -0.56 1.13 3.08 -1.23 -1.26 114.38 116.55 3h3s h ARG 569 Ca 0.19 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3h3s h ARG 569 Cb -0.01 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3h3s h ARG 569 CO -0.07 0.74 -0.10 0.00 -1.07 0.00 0.00 179.97 179.46 3h3s h ALA 570 N 1.25 0.76 -0.69 0.04 0.00 -0.96 -2.00 119.26 117.66 3h3s h ALA 570 Ca 0.03 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3h3s h ALA 570 Cb 0.84 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3h3s h ALA 570 CO 0.07 0.68 0.16 0.28 0.00 0.00 0.00 179.25 180.44 3h3s h VAL 571 N 0.93 1.26 0.01 0.00 2.07 -0.77 -1.30 116.25 118.46 3h3s h VAL 571 Ca 0.15 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3h3s h VAL 571 Cb 0.67 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3h3s h VAL 571 CO 0.05 0.37 -0.00 0.00 0.02 0.00 0.00 177.57 178.00 3h3s h ALA 572 N 1.13 -0.01 -0.46 1.67 0.00 -1.13 0.13 119.26 120.59 3h3s h ALA 572 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3h3s h ALA 572 Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3h3s h ALA 572 CO 0.00 -0.46 0.22 0.87 0.00 0.00 0.00 179.25 179.88 3h3s h LYS 573 N -0.11 0.63 0.16 0.00 1.57 -1.13 -2.17 116.57 115.52 3h3s h LYS 573 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3h3s h LYS 573 Cb 0.10 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3h3s h LYS 573 CO 0.00 0.50 -0.07 -0.09 -0.57 0.00 0.00 179.45 179.22 3h3s h ARG 574 N 0.64 -0.20 0.08 3.15 2.43 -1.08 -3.39 114.38 116.00 3h3s h ARG 574 Ca 0.16 0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 59.07 3h3s h ARG 574 Cb 0.07 0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3h3s h ARG 574 CO -0.02 0.22 -1.14 0.93 -1.51 0.00 0.00 179.97 178.44 3h3s h GLU 575 N -0.90 0.52 0.28 0.20 4.39 -0.64 -3.08 114.58 115.35 3h3s h GLU 575 Ca -0.02 -0.66 -0.01 0.00 0.34 0.00 0.00 59.36 59.01 3h3s h GLU 575 Cb 0.51 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3h3s h GLU 575 CO 0.03 1.27 -0.14 1.88 -1.16 0.00 0.00 179.01 180.90 3h3s h TYR 576 N 0.25 -0.35 -0.85 4.33 0.05 -1.60 -0.98 116.97 117.81 3h3s h TYR 576 Ca -0.14 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.61 3h3s h TYR 576 Cb 1.81 0.12 -0.04 0.00 1.01 0.00 0.00 36.73 39.62 3h3s h TYR 576 CO 0.09 -0.10 0.45 -1.00 -1.05 0.00 0.00 178.16 176.55 3h3s h PRO 577 N -0.56 1.20 -0.40 4.88 0.13 -1.76 -0.70 132.00 134.79 3h3s h PRO 577 Ca -0.04 -0.15 0.04 0.00 -0.87 0.00 0.00 66.00 64.98 3h3s h PRO 577 Cb 0.41 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 31.27 3h3s h PRO 577 CO 0.06 0.89 0.16 -0.22 -0.23 0.00 0.00 178.00 178.66 3h3s h LYS 578 N 1.20 0.33 -0.45 0.86 3.64 -1.47 -1.47 116.57 119.20 3h3s h LYS 578 Ca 0.30 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3h3s h LYS 578 Cb 0.05 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3h3s h LYS 578 CO -0.04 0.22 0.28 0.35 -2.27 0.00 0.00 179.45 177.98 3h3s h PHE 579 N 0.34 0.59 -0.44 1.91 3.57 -0.83 -1.87 116.94 120.20 3h3s h PHE 579 Ca 0.18 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 3h3s h PHE 579 Cb 0.14 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3h3s h PHE 579 CO -0.13 0.40 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.18 3h3s h LEU 580 N 0.60 0.79 -0.11 0.59 3.38 -0.80 0.22 115.31 119.99 3h3s h LEU 580 Ca 0.16 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3h3s h LEU 580 Cb -0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3h3s h LEU 580 CO -0.03 0.92 -0.15 0.50 0.09 0.00 0.00 178.44 179.77 3h3s h LYS 581 N 0.73 0.29 -0.27 1.13 3.64 -1.20 -1.56 116.57 119.32 3h3s h LYS 581 Ca 0.12 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3h3s h LYS 581 Cb 0.59 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3h3s h LYS 581 CO 0.04 0.73 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.83 3h3s h ARG 582 N -0.13 0.49 -0.13 1.90 2.43 -1.02 -1.29 114.38 116.63 3h3s h ARG 582 Ca 0.01 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 3h3s h ARG 582 Cb 0.70 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3h3s h ARG 582 CO 0.03 0.68 0.02 0.35 -1.51 0.00 0.00 179.97 179.55 3h3s h PHE 583 N 0.26 0.23 -0.65 2.20 3.57 -0.64 -0.47 116.94 121.44 3h3s h PHE 583 Ca 0.07 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3h3s h PHE 583 Cb 0.48 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3h3s h PHE 583 CO 0.04 0.40 0.20 1.79 -2.23 0.00 0.00 178.31 178.51 3h3s h THR 584 N -0.01 1.24 -0.44 4.41 1.35 -1.26 -1.74 112.91 116.46 3h3s h THR 584 Ca 0.04 -0.84 -0.09 0.00 -0.55 0.00 0.00 66.41 64.98 3h3s h THR 584 Cb 0.29 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 67.22 3h3s h THR 584 CO 0.00 0.32 -0.08 0.28 -0.25 0.00 0.00 175.52 175.79 3h3s h SER 585 N 0.96 0.76 -0.12 5.36 0.02 -1.13 -1.75 113.55 117.66 3h3s h SER 585 Ca 0.21 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h3s h SER 585 Cb 0.28 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3h3s h SER 585 CO -0.01 0.88 0.07 0.22 -1.14 0.00 0.00 176.83 176.85 3h3s h TYR 586 N 0.71 0.16 -0.46 3.45 3.20 -0.57 -0.46 116.97 122.99 3h3s h TYR 586 Ca 0.13 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3h3s h TYR 586 Cb 0.55 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 3h3s h TYR 586 CO 0.03 0.14 0.29 0.28 -1.64 0.00 0.00 178.16 177.26 3h3s h VAL 587 N 0.13 1.13 -0.62 1.81 2.07 -1.04 -0.53 116.25 119.20 3h3s h VAL 587 Ca 0.04 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.37 3h3s h VAL 587 Cb 0.03 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 3h3s h VAL 587 CO -0.01 0.13 0.29 1.56 0.02 0.00 0.00 177.57 179.56 3h3s h GLN 588 N 0.62 0.51 -0.46 1.57 4.20 -1.14 -1.18 115.11 119.23 3h3s h GLN 588 Ca 0.17 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3h3s h GLN 588 Cb -0.04 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3h3s h GLN 588 CO -0.03 0.34 0.16 0.93 -0.67 0.00 0.00 178.83 179.55 3h3s h GLU 589 N 0.52 0.70 0.00 1.46 5.08 -0.53 -2.52 114.58 119.29 3h3s h GLU 589 Ca 0.30 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3h3s h GLU 589 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3h3s h GLU 589 CO -0.25 0.66 -0.32 0.87 -1.00 0.00 0.00 179.01 178.97 3h3s h LYS 590 N 0.60 0.00 0.00 2.33 1.79 -0.86 -3.22 116.57 117.22 3h3s h LYS 590 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3h3s h LYS 590 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3h3s h LYS 590 CO -0.01 0.32 -1.13 0.25 -1.08 0.00 0.00 179.45 177.80 3h3s n THR 591 N -3.34 0.12 -1.67 -0.16 -2.24 -0.47 -4.88 114.28 101.64 3h3s n THR 591 Ca 0.01 -0.23 -0.46 0.00 -2.27 0.00 0.00 64.05 61.10 3h3s n THR 591 Cb 0.55 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 3h3s n THR 591 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3s n ALA 592 N -1.82 1.40 0.00 6.98 0.00 -0.95 -1.02 120.51 125.10 3h3s n ALA 592 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3h3s n ALA 592 Cb 0.43 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3h3s n ALA 592 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3s n GLY 593 N 3.19 2.91 3.88 0.00 0.00 -1.26 -5.00 105.19 108.91 3h3s n GLY 593 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3h3s n GLY 593 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3s s LYS 594 N -0.07 3.78 0.49 1.61 1.02 -0.19 -5.04 119.74 121.34 3h3s s LYS 594 Ca 0.00 0.31 -0.22 0.00 0.02 0.00 0.00 55.97 56.08 3h3s s LYS 594 Cb 0.00 -2.55 -0.09 0.00 -0.52 0.00 0.00 37.83 34.67 3h3s s LYS 594 CO 0.00 0.18 0.91 -2.30 -0.92 0.00 0.00 175.35 173.22 3h3s n PRO 595 N -0.67 1.08 -2.85 -1.68 -0.02 -1.26 -4.90 135.00 124.70 3h3s n PRO 595 Ca 0.01 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 3h3s n PRO 595 Cb 0.53 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 3h3s n PRO 595 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h3s s ILE 596 N -1.41 4.89 -0.53 4.25 1.01 -1.26 -5.01 121.20 123.13 3h3s s ILE 596 Ca 0.67 1.75 -0.21 0.00 0.00 0.00 0.00 60.65 62.86 3h3s s ILE 596 Cb -0.50 -4.19 0.05 0.00 0.01 0.00 0.00 42.46 37.83 3h3s s ILE 596 CO 0.54 0.08 0.77 -0.22 0.00 0.00 0.00 174.94 176.11 3h3s s LEU 597 N 1.70 4.61 0.00 2.97 2.96 -1.26 -5.16 118.68 124.50 3h3s s LEU 597 Ca 0.42 -0.71 0.31 0.00 -0.22 0.00 0.00 54.13 53.94 3h3s s LEU 597 Cb -0.18 -2.59 1.79 0.00 0.50 0.00 0.00 46.19 45.71 3h3s s LEU 597 CO 0.17 -1.06 2.16 0.49 -1.32 0.00 0.00 176.35 176.79