#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3s n THR 364 N 0.00 0.11 -1.09 2.61 -1.04 -1.26 -4.92 114.28 108.68 3h3s n THR 364 Ca 0.00 -0.56 -0.30 0.00 -2.04 0.00 0.00 64.05 61.15 3h3s n THR 364 Cb 0.00 1.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.64 3h3s n THR 364 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 3h3s s HIS 365 N -0.33 2.23 -0.63 -1.42 -0.00 -1.26 -4.89 115.29 108.99 3h3s s HIS 365 Ca 0.04 1.45 0.20 0.00 -0.00 0.00 0.00 55.06 56.75 3h3s s HIS 365 Cb 0.03 -3.15 0.85 0.00 -0.00 0.00 0.00 32.58 30.31 3h3s s HIS 365 CO 0.04 -2.34 1.60 2.89 -0.00 0.00 0.00 174.74 176.93 3h3s n ARG 366 N -3.88 0.12 -0.38 -0.38 1.85 -1.26 -2.64 116.66 110.09 3h3s n ARG 366 Ca 0.08 0.39 0.11 0.00 -1.00 0.00 0.00 57.85 57.44 3h3s n ARG 366 Cb 0.54 -1.75 0.32 0.00 -1.05 0.00 0.00 32.46 30.51 3h3s n ARG 366 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3h3s n PHE 367 N -1.99 1.00 -0.22 2.89 3.72 -1.26 -4.63 117.46 116.96 3h3s n PHE 367 Ca 0.02 -0.51 -0.05 0.00 -0.05 0.00 0.00 57.45 56.86 3h3s n PHE 367 Cb 0.19 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 38.75 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 4.14 1.13 -0.66 -4.37 -1.51 -1.86 -0.38 116.25 112.75 3h3s h VAL 368 Ca 0.00 -0.28 -0.07 0.00 -1.23 0.00 0.00 66.70 65.11 3h3s h VAL 368 Cb 1.02 0.23 -0.03 0.00 -2.13 0.00 0.00 31.29 30.38 3h3s h VAL 368 CO 0.02 0.15 0.12 1.56 -1.23 0.00 0.00 177.57 178.19 3h3s h GLN 369 N 0.82 1.08 -0.38 5.19 1.08 -1.87 -0.79 115.11 120.25 3h3s h GLN 369 Ca 0.24 -0.28 -0.08 0.00 -1.45 0.00 0.00 58.65 57.08 3h3s h GLN 369 Cb -0.05 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 3h3s h GLN 369 CO -0.07 0.98 -0.07 -0.22 -0.95 0.00 0.00 178.83 178.50 3h3s h LYS 370 N 1.00 0.73 -0.39 1.46 1.63 -1.76 -1.79 116.57 117.45 3h3s h LYS 370 Ca 0.20 -0.27 0.07 0.00 -0.85 0.00 0.00 60.65 59.80 3h3s h LYS 370 Cb 0.42 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.94 3h3s h LYS 370 CO 0.01 0.86 0.01 0.28 -3.45 0.00 0.00 179.45 177.16 3h3s h VAL 371 N 0.53 0.73 -0.73 2.00 2.07 -0.82 -0.16 116.25 119.86 3h3s h VAL 371 Ca 0.10 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 3h3s h VAL 371 Cb 0.58 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3h3s h VAL 371 CO 0.03 0.02 0.31 -0.33 0.02 0.00 0.00 177.57 177.63 3h3s h GLU 372 N 0.12 1.06 -0.25 1.57 4.39 -0.86 -0.16 114.58 120.46 3h3s h GLU 372 Ca 0.19 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3h3s h GLU 372 Cb 0.26 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3h3s h GLU 372 CO -0.30 0.84 0.08 1.49 -1.16 0.00 0.00 179.01 179.97 3h3s h GLU 373 N 1.04 0.38 -0.36 2.33 4.81 -0.82 -0.18 114.58 121.78 3h3s h GLU 373 Ca 0.25 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3h3s h GLU 373 Cb 0.16 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3h3s h GLU 373 CO -0.03 0.44 0.10 0.52 -0.73 0.00 0.00 179.01 179.32 3h3s h MET 374 N 0.24 0.57 -0.57 1.92 2.86 -0.57 -0.67 114.93 118.71 3h3s h MET 374 Ca 0.08 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3h3s h MET 374 Cb 0.22 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3h3s h MET 374 CO -0.00 0.60 0.29 0.28 1.06 0.00 0.00 176.91 179.14 3h3s h VAL 375 N 0.44 1.20 -0.72 -2.22 2.07 -0.95 -1.43 116.25 114.65 3h3s h VAL 375 Ca 0.12 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 3h3s h VAL 375 Cb 0.28 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3h3s h VAL 375 CO -0.00 0.23 0.18 -0.61 0.02 0.00 0.00 177.57 177.39 3h3s h GLN 376 N 0.78 1.14 -0.51 1.57 5.75 -0.84 -0.49 115.11 122.51 3h3s h GLN 376 Ca 0.20 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 3h3s h GLN 376 Cb 0.10 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3h3s h GLN 376 CO -0.03 1.00 0.05 -0.91 -2.65 0.00 0.00 178.83 176.29 3h3s h ASN 377 N 1.09 0.85 -0.59 -0.69 2.35 -0.83 -1.70 115.58 116.05 3h3s h ASN 377 Ca 0.23 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3h3s h ASN 377 Cb 0.37 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 3h3s h ASN 377 CO 0.00 0.92 0.23 0.45 -1.65 0.00 0.00 177.43 177.38 3h3s h HIS 378 N 0.75 0.90 -0.06 1.19 3.86 -1.07 0.40 115.15 121.11 3h3s h HIS 378 Ca 0.15 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3h3s h HIS 378 Cb 0.46 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 3h3s h HIS 378 CO 0.03 0.72 -0.18 0.52 0.86 0.00 0.00 177.93 179.89 3h3s h MET 379 N 0.82 0.09 0.00 2.45 2.86 -0.78 -1.58 114.93 118.79 3h3s h MET 379 Ca 0.20 -0.02 -0.28 0.00 -2.06 0.00 0.00 59.70 57.54 3h3s h MET 379 Cb 0.20 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3h3s h MET 379 CO -0.02 0.27 -1.67 0.25 1.06 0.00 0.00 176.91 176.80 3h3s n THR 380 N -4.29 1.52 0.09 2.22 -2.24 -0.66 -4.39 114.28 106.52 3h3s n THR 380 Ca -0.02 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.47 3h3s n THR 380 Cb 0.27 -2.04 -0.14 0.00 -2.10 0.00 0.00 70.33 66.31 3h3s n THR 380 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3h3s h TYR 381 N -1.00 0.48 0.00 4.78 0.05 -0.32 -3.37 116.97 117.59 3h3s h TYR 381 Ca -0.42 -0.35 -0.08 0.00 0.05 0.00 0.00 58.73 57.92 3h3s h TYR 381 Cb 1.32 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.03 3h3s h TYR 381 CO -0.06 1.33 -0.40 0.77 -1.05 0.00 0.00 178.16 178.75 3h3s h SER 382 N 0.07 0.00 0.82 3.88 0.02 -1.32 -3.18 113.55 113.85 3h3s h SER 382 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3h3s h SER 382 Cb 2.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.54 3h3s h SER 382 CO 0.19 0.38 -0.23 0.18 -1.14 0.00 0.00 176.83 176.21 3h3s n LEU 383 N -3.19 0.27 -4.72 5.07 4.77 -1.16 -4.91 117.00 113.14 3h3s n LEU 383 Ca 0.02 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.87 3h3s n LEU 383 Cb 0.69 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3h3s n LEU 383 CO 0.39 0.04 1.14 1.67 -1.33 0.00 0.00 177.39 179.30 3h3s n GLN 384 N -1.57 2.46 -1.94 3.23 7.27 -1.20 -4.91 117.38 120.71 3h3s n GLN 384 Ca 0.06 0.87 -0.42 0.00 0.07 0.00 0.00 57.00 57.59 3h3s n GLN 384 Cb 0.35 -2.60 -0.02 0.00 2.41 0.00 0.00 30.24 30.38 3h3s n GLN 384 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3h3s s ASP 385 N 0.32 6.57 0.00 1.69 -1.08 -1.26 -4.92 116.67 117.99 3h3s s ASP 385 Ca 0.64 2.70 0.01 0.00 -0.52 0.00 0.00 52.55 55.37 3h3s s ASP 385 Cb -0.54 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.30 3h3s s ASP 385 CO 0.51 -0.79 0.32 0.52 0.52 0.00 0.00 175.17 176.25 3h3s n VAL 386 N 3.02 0.00 -0.23 1.11 0.31 -1.26 -4.69 118.33 116.59 3h3s n VAL 386 Ca 0.10 -0.49 -0.07 0.00 -0.01 0.00 0.00 64.34 63.87 3h3s n VAL 386 Cb 0.39 1.01 0.06 0.00 -0.91 0.00 0.00 33.84 34.39 3h3s n VAL 386 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3h3s h GLY 387 N 0.24 1.17 -3.26 2.92 0.00 -1.97 -2.48 103.07 99.69 3h3s h GLY 387 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3h3s h GLY 387 CO 0.00 0.71 0.00 0.61 0.00 0.00 0.00 176.54 177.86 3h3s n GLY 388 N -0.61 2.84 3.52 4.60 0.00 -1.26 -4.89 105.19 109.38 3h3s n GLY 388 Ca 0.04 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.87 6.23 0.03 1.61 -1.08 -0.94 -4.95 116.67 116.71 3h3s s ASP 389 Ca 0.53 -0.39 0.23 0.00 -0.52 0.00 0.00 52.55 52.40 3h3s s ASP 389 Cb 0.36 -2.24 0.96 0.00 -1.46 0.00 0.00 42.92 40.55 3h3s s ASP 389 CO 0.22 -0.53 1.73 0.00 0.52 0.00 0.00 175.17 177.11 3h3s n ALA 390 N 5.66 2.04 0.31 3.66 0.00 -1.26 -0.84 120.51 130.07 3h3s n ALA 390 Ca -0.06 -0.07 0.20 0.00 0.00 0.00 0.00 53.44 53.51 3h3s n ALA 390 Cb 0.48 -1.38 0.94 0.00 0.00 0.00 0.00 19.45 19.50 3h3s n ALA 390 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3h3s h ASN 391 N 0.00 0.00 -3.38 0.00 -0.26 -1.94 -3.44 115.58 106.56 3h3s h ASN 391 Ca 0.00 0.00 -0.65 0.00 -0.56 0.00 0.00 56.30 55.09 3h3s h ASN 391 Cb 0.41 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 37.54 3h3s h ASN 391 CO 0.00 0.00 -0.69 0.26 -1.06 0.00 0.00 177.43 175.94 3h3s s TRP 392 N -3.89 2.87 -0.08 1.19 0.52 -0.02 -4.39 118.94 115.15 3h3s s TRP 392 Ca -0.02 -0.09 0.04 0.00 0.02 0.00 0.00 56.10 56.05 3h3s s TRP 392 Cb 0.11 -1.48 -0.00 0.00 -1.15 0.00 0.00 33.47 30.95 3h3s s TRP 392 CO 0.46 0.46 -0.22 -1.14 0.02 0.00 0.00 176.95 176.53 3h3s s GLN 393 N -2.34 2.60 -0.56 4.98 0.74 -0.25 -4.84 119.66 119.98 3h3s s GLN 393 Ca 0.24 -0.80 -0.28 0.00 0.05 0.00 0.00 55.36 54.58 3h3s s GLN 393 Cb -0.11 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 31.93 3h3s s GLN 393 CO 0.16 0.23 1.54 -1.17 -0.55 0.00 0.00 175.29 175.50 3h3s s LEU 394 N 0.20 3.38 -0.05 3.68 2.96 -1.26 -0.99 118.68 126.59 3h3s s LEU 394 Ca -0.12 0.37 0.20 0.00 -0.22 0.00 0.00 54.13 54.36 3h3s s LEU 394 Cb -0.16 -2.97 -0.27 0.00 0.50 0.00 0.00 46.19 43.30 3h3s s LEU 394 CO 0.06 -1.85 0.44 1.33 -1.32 0.00 0.00 176.35 175.01 3h3s n VAL 395 N 6.97 0.56 -3.84 1.68 0.24 0.37 -4.92 118.33 119.38 3h3s n VAL 395 Ca 0.15 -0.62 -0.16 0.00 -2.04 0.00 0.00 64.34 61.66 3h3s n VAL 395 Cb 0.49 -0.23 -0.16 0.00 -1.47 0.00 0.00 33.84 32.47 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 -3.16 0.04 -0.01 3.34 1.01 -0.93 -4.99 120.40 115.70 3h3s s VAL 396 Ca -0.07 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3h3s s VAL 396 Cb 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.32 3h3s s VAL 396 CO 0.87 0.11 -0.08 -0.70 0.00 0.00 0.00 175.10 175.30 3h3s s GLU 397 N 1.05 0.75 -0.30 2.72 2.12 -1.26 -0.72 118.70 123.06 3h3s s GLU 397 Ca -0.09 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 54.88 3h3s s GLU 397 Cb -0.13 -0.72 0.17 0.00 0.26 0.00 0.00 34.13 33.71 3h3s s GLU 397 CO -0.02 0.13 0.79 -2.00 -0.54 0.00 0.00 175.26 173.62 3h3s s GLU 398 N 0.02 0.43 7.57 4.30 2.12 -0.60 -5.02 118.70 127.51 3h3s s GLU 398 Ca 0.00 0.88 0.00 0.00 0.36 0.00 0.00 54.97 56.21 3h3s s GLU 398 Cb -0.06 0.51 0.00 0.00 0.26 0.00 0.00 34.13 34.84 3h3s s GLU 398 CO -0.00 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 3h3s n GLY 399 N 5.36 3.86 0.21 -1.50 0.00 -1.26 -0.83 105.19 111.03 3h3s n GLY 399 Ca -0.06 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 1.06 -3.17 1.61 -0.58 -1.26 -4.86 120.64 127.44 3h3s n GLU 400 Ca 0.00 -0.43 -0.39 0.00 -0.42 0.00 0.00 57.16 55.93 3h3s n GLU 400 Cb 0.00 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.33 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 -2.23 4.36 -0.04 3.49 1.75 -0.01 -3.94 119.30 122.68 3h3s s MET 401 Ca 0.35 0.73 0.01 0.00 -1.25 0.00 0.00 55.69 55.54 3h3s s MET 401 Cb 0.21 -3.39 0.02 0.00 2.84 0.00 0.00 34.83 34.50 3h3s s MET 401 CO 0.41 0.23 -0.05 0.15 -0.65 0.00 0.00 175.02 175.12 3h3s s LYS 402 N 0.27 0.79 -0.12 4.11 1.02 0.01 -1.56 119.74 124.25 3h3s s LYS 402 Ca 0.32 -0.14 0.02 0.00 0.02 0.00 0.00 55.97 56.19 3h3s s LYS 402 Cb -0.18 -0.78 -0.00 0.00 -0.52 0.00 0.00 37.83 36.35 3h3s s LYS 402 CO 0.16 -0.02 -0.19 0.08 -0.92 0.00 0.00 175.35 174.45 3h3s s VAL 403 N 0.66 2.41 0.18 3.17 1.01 0.10 -0.66 120.40 127.27 3h3s s VAL 403 Ca -0.09 -0.88 0.11 0.00 0.00 0.00 0.00 61.98 61.12 3h3s s VAL 403 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3h3s s VAL 403 CO 0.00 0.54 -0.23 -0.31 0.00 0.00 0.00 175.10 175.10 3h3s s TYR 404 N 0.52 2.34 0.04 5.22 2.02 0.15 -0.48 117.35 127.15 3h3s s TYR 404 Ca -0.12 -0.35 -0.04 0.00 -0.37 0.00 0.00 57.07 56.19 3h3s s TYR 404 Cb -0.17 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 3h3s s TYR 404 CO 0.05 0.48 0.06 0.50 -1.57 0.00 0.00 175.55 175.07 3h3s s ARG 405 N -2.60 0.56 -0.18 -0.62 3.00 -0.16 -1.17 118.95 117.78 3h3s s ARG 405 Ca 0.20 -0.81 -0.02 0.00 -1.00 0.00 0.00 55.73 54.10 3h3s s ARG 405 Cb -0.08 0.21 -0.01 0.00 0.00 0.00 0.00 34.95 35.07 3h3s s ARG 405 CO 0.10 -0.13 -0.08 0.50 0.00 0.00 0.00 175.30 175.69 3h3s s ARG 406 N -2.70 3.43 -0.26 5.12 3.52 -0.67 -1.09 118.95 126.30 3h3s s ARG 406 Ca -0.04 -0.63 -0.28 0.00 -0.13 0.00 0.00 55.73 54.65 3h3s s ARG 406 Cb -0.01 -2.85 0.01 0.00 -1.56 0.00 0.00 34.95 30.54 3h3s s ARG 406 CO -0.05 0.03 1.01 -1.21 -0.81 0.00 0.00 175.30 174.26 3h3s s GLU 407 N 0.87 4.17 -0.04 5.12 2.02 -1.26 -3.34 118.70 126.23 3h3s s GLU 407 Ca -0.02 1.17 -0.02 0.00 0.02 0.00 0.00 54.97 56.13 3h3s s GLU 407 Cb -0.15 -3.67 0.03 0.00 0.10 0.00 0.00 34.13 30.44 3h3s s GLU 407 CO 0.01 -0.70 0.08 0.08 0.02 0.00 0.00 175.26 174.75 3h3s s VAL 408 N 3.27 -0.09 0.07 2.63 1.01 -1.26 -4.97 120.40 121.06 3h3s s VAL 408 Ca 0.42 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.71 3h3s s VAL 408 Cb -0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 3h3s s VAL 408 CO 0.09 0.11 -0.13 -1.83 0.00 0.00 0.00 175.10 173.34 3h3s s GLU 409 N 1.44 0.78 -0.06 2.72 4.04 -1.26 -0.31 118.70 126.05 3h3s s GLU 409 Ca -0.05 -0.96 0.02 0.00 0.04 0.00 0.00 54.97 54.02 3h3s s GLU 409 Cb -0.12 -0.71 0.02 0.00 0.02 0.00 0.00 34.13 33.34 3h3s s GLU 409 CO -0.04 0.15 -0.09 -1.21 -1.84 0.00 0.00 175.26 172.23 3h3s s GLU 410 N -1.87 1.33 -1.40 -4.83 2.02 -0.68 -4.79 118.70 108.48 3h3s s GLU 410 Ca -0.02 -0.28 -0.06 0.00 0.02 0.00 0.00 54.97 54.63 3h3s s GLU 410 Cb -0.09 -1.19 0.03 0.00 0.10 0.00 0.00 34.13 32.98 3h3s s GLU 410 CO 0.02 -0.04 0.46 0.09 0.02 0.00 0.00 175.26 175.81 3h3s n ASN 411 N 3.98 -4.90 0.00 -0.19 5.03 -1.26 -1.08 115.26 116.85 3h3s n ASN 411 Ca -0.23 -0.26 0.00 0.00 0.87 0.00 0.00 54.58 54.96 3h3s n ASN 411 Cb 0.51 -4.01 0.00 0.00 -1.02 0.00 0.00 39.78 35.26 3h3s n ASN 411 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h3s n GLY 412 N -1.28 0.70 3.67 7.41 0.00 -1.26 -5.01 105.19 109.43 3h3s n GLY 412 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.98 5.30 -0.01 -0.61 1.01 -0.24 -4.74 121.20 118.94 3h3s s ILE 413 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 3h3s s ILE 413 Cb 0.00 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 3h3s s ILE 413 CO 0.00 0.32 1.04 -0.69 0.00 0.00 0.00 174.94 175.61 3h3s s VAL 414 N 1.07 4.66 0.00 2.92 1.01 -1.26 -1.68 120.40 127.12 3h3s s VAL 414 Ca 0.12 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.02 3h3s s VAL 414 Cb -0.14 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3h3s s VAL 414 CO 0.05 0.12 0.40 0.18 0.00 0.00 0.00 175.10 175.86 3h3s n LEU 415 N 4.12 0.80 -1.93 3.92 4.77 0.57 -4.38 117.00 124.88 3h3s n LEU 415 Ca 0.07 -0.83 -0.22 0.00 -0.03 0.00 0.00 56.01 55.01 3h3s n LEU 415 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3h3s n LEU 415 CO 0.53 0.20 0.88 0.47 -1.33 0.00 0.00 177.39 178.14 3h3s n ASP 416 N -0.05 0.22 -4.63 -1.43 8.00 -1.15 -4.37 116.55 113.14 3h3s n ASP 416 Ca 0.00 0.18 -0.45 0.00 0.71 0.00 0.00 54.79 55.23 3h3s n ASP 416 Cb 0.04 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.71 3h3s n ASP 416 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3h3s n PRO 417 N 3.54 1.64 -5.13 -0.24 -0.02 -1.21 -4.69 135.00 128.90 3h3s n PRO 417 Ca 0.27 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 62.01 3h3s n PRO 417 Cb -0.00 -2.08 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 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 0.07 2.27 -0.06 2.45 0.20 -0.57 -1.66 118.68 121.38 3h3s s LEU 418 Ca 0.62 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 55.01 3h3s s LEU 418 Cb -0.68 -1.44 0.02 0.00 -0.43 0.00 0.00 46.19 43.66 3h3s s LEU 418 CO 0.57 0.24 -0.06 -0.75 -0.29 0.00 0.00 176.35 176.06 3h3s s LYS 419 N -0.12 1.11 0.11 1.98 2.20 -0.32 -1.18 119.74 123.52 3h3s s LYS 419 Ca -0.04 -0.18 0.10 0.00 -0.36 0.00 0.00 55.97 55.50 3h3s s LYS 419 Cb -0.14 -1.09 -0.04 0.00 -1.51 0.00 0.00 37.83 35.05 3h3s s LYS 419 CO 0.04 -0.10 -0.27 0.00 -0.36 0.00 0.00 175.35 174.66 3h3s s ALA 420 N 1.07 2.32 0.08 3.13 0.00 0.68 0.33 121.76 129.36 3h3s s ALA 420 Ca -0.08 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 50.54 3h3s s ALA 420 Cb -0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3h3s s ALA 420 CO -0.01 0.53 -0.19 0.95 0.00 0.00 0.00 175.76 177.05 3h3s s THR 421 N -1.00 1.52 0.22 0.00 -4.23 0.16 -0.59 115.64 111.72 3h3s s THR 421 Ca 0.13 -1.35 -0.14 0.00 -1.18 0.00 0.00 61.69 59.15 3h3s s THR 421 Cb -0.10 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.37 3h3s s THR 421 CO 0.05 -0.02 0.46 -2.28 -0.54 0.00 0.00 174.62 172.29 3h3s s HIS 422 N -1.06 0.21 -0.06 3.99 2.46 -0.58 -0.81 115.29 119.44 3h3s s HIS 422 Ca 0.05 -0.57 -0.02 0.00 0.47 0.00 0.00 55.06 54.98 3h3s s HIS 422 Cb -0.09 0.22 0.04 0.00 -0.13 0.00 0.00 32.58 32.61 3h3s s HIS 422 CO 0.03 -0.93 0.11 0.00 -2.47 0.00 0.00 174.74 171.48 3h3s s ALA 423 N -3.96 -0.07 -0.17 1.58 0.00 -1.25 -1.35 121.76 116.53 3h3s s ALA 423 Ca 0.17 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3h3s s ALA 423 Cb -0.00 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.61 3h3s s ALA 423 CO 0.04 -0.32 -0.12 0.08 0.00 0.00 0.00 175.76 175.44 3h3s s VAL 424 N 1.65 1.56 0.34 0.00 1.01 0.29 -4.76 120.40 120.49 3h3s s VAL 424 Ca -0.03 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 3h3s s VAL 424 Cb -0.12 -1.56 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 3h3s s VAL 424 CO -0.05 0.30 1.17 -0.75 0.00 0.00 0.00 175.10 175.78 3h3s s LYS 425 N 1.46 4.37 0.00 2.72 2.20 -1.26 -0.76 119.74 128.46 3h3s s LYS 425 Ca 0.02 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 3h3s s LYS 425 Cb -0.14 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 3h3s s LYS 425 CO -0.09 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 3h3s n GLY 426 N 0.87 0.74 3.15 5.54 0.00 -0.38 -4.92 105.19 110.19 3h3s n GLY 426 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.35 0.78 0.33 1.61 -7.23 -1.26 -4.87 120.40 107.42 3h3s s VAL 427 Ca 0.00 -1.59 0.06 0.00 -1.81 0.00 0.00 61.98 58.64 3h3s s VAL 427 Cb 0.00 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 3h3s s VAL 427 CO 0.00 -0.60 0.48 0.42 -0.31 0.00 0.00 175.10 175.09 3h3s s THR 428 N -2.51 4.25 0.32 5.32 -4.23 -1.26 -3.41 115.64 114.13 3h3s s THR 428 Ca 0.03 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 3h3s s THR 428 Cb -0.02 -3.49 0.12 0.00 1.34 0.00 0.00 72.50 70.45 3h3s s THR 428 CO -0.01 -0.21 1.81 1.23 -0.54 0.00 0.00 174.62 176.91 3h3s h GLY 429 N 0.88 0.47 0.98 3.99 0.00 -1.86 -1.54 103.07 105.99 3h3s h GLY 429 Ca -0.47 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 46.54 3h3s h GLY 429 CO 0.54 0.30 0.25 0.84 0.00 0.00 0.00 176.54 178.48 3h3s h HIS 430 N 0.40 0.48 -0.17 5.60 -0.00 -1.87 -0.88 115.15 118.71 3h3s h HIS 430 Ca 0.07 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.42 3h3s h HIS 430 Cb 0.49 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 3h3s h HIS 430 CO 0.01 0.29 -0.03 0.93 -0.00 0.00 0.00 177.93 179.14 3h3s h GLU 431 N 0.51 0.33 -0.48 5.26 5.08 -1.66 0.55 114.58 124.17 3h3s h GLU 431 Ca 0.15 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3h3s h GLU 431 Cb -0.04 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3h3s h GLU 431 CO -0.04 0.58 0.24 0.28 -1.00 0.00 0.00 179.01 179.07 3h3s h VAL 432 N 0.05 0.97 -0.56 3.13 2.07 -1.19 -1.33 116.25 119.38 3h3s h VAL 432 Ca 0.05 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 3h3s h VAL 432 Cb 0.45 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3h3s h VAL 432 CO 0.01 0.09 -0.09 0.00 0.02 0.00 0.00 177.57 177.60 3h3s h ASN 434 N 0.93 -0.28 -0.73 0.00 -0.26 -0.59 -0.78 115.58 113.87 3h3s h ASN 434 Ca 0.15 0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.93 3h3s h ASN 434 Cb 0.66 0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 38.03 3h3s h ASN 434 CO 0.05 -0.12 0.38 1.88 -1.06 0.00 0.00 177.43 178.56 3h3s h TYR 435 N -0.10 1.04 -0.22 1.19 -1.99 -1.12 0.13 116.97 115.91 3h3s h TYR 435 Ca 0.07 -0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.61 3h3s h TYR 435 Cb 0.21 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.60 3h3s h TYR 435 CO -0.21 0.74 -0.53 0.35 -0.00 0.00 0.00 178.16 178.52 3h3s h PHE 436 N 1.05 0.79 0.14 4.88 3.57 -0.87 -3.25 116.94 123.25 3h3s h PHE 436 Ca 0.26 -0.27 -0.31 0.00 3.53 0.00 0.00 57.97 61.18 3h3s h PHE 436 Cb 0.07 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.66 3h3s h PHE 436 CO 0.01 1.02 -1.49 2.35 -2.23 0.00 0.00 178.31 177.97 3h3s h TRP 437 N 0.49 0.55 -2.23 0.41 7.01 -0.86 -3.46 115.95 117.87 3h3s h TRP 437 Ca 0.01 -0.40 -0.56 0.00 2.11 0.00 0.00 58.89 60.05 3h3s h TRP 437 Cb 1.08 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.11 3h3s h TRP 437 CO 0.05 1.41 1.40 1.21 -2.79 0.00 0.00 178.44 179.73 3h3s s ASN 438 N -7.12 5.48 0.64 2.65 2.47 0.43 -4.85 114.94 114.64 3h3s s ASN 438 Ca -0.09 1.35 0.42 0.00 0.42 0.00 0.00 52.86 54.96 3h3s s ASN 438 Cb 0.06 -2.52 2.18 0.00 -1.45 0.00 0.00 41.25 39.53 3h3s s ASN 438 CO 0.87 -2.03 2.28 -0.37 -3.72 0.00 0.00 177.10 174.14 3h3s h VAL 439 N 7.05 0.00 0.00 -5.21 -1.51 -1.89 -2.61 116.25 112.09 3h3s h VAL 439 Ca -0.34 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3h3s h VAL 439 Cb 1.20 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3h3s h VAL 439 CO 1.05 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.86 3h3s n ASP 440 N -3.09 0.64 -0.15 4.19 8.00 -1.26 -2.16 116.55 122.72 3h3s n ASP 440 Ca -0.02 0.66 0.02 0.00 0.71 0.00 0.00 54.79 56.15 3h3s n ASP 440 Cb 0.13 -0.79 0.03 0.00 -0.02 0.00 0.00 41.12 40.46 3h3s n ASP 440 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3h3s n VAL 441 N -2.21 0.42 -0.21 2.53 0.24 -0.99 -4.79 118.33 113.33 3h3s n VAL 441 Ca 0.02 -0.71 0.01 0.00 -2.04 0.00 0.00 64.34 61.62 3h3s n VAL 441 Cb 0.23 0.83 0.12 0.00 -1.47 0.00 0.00 33.84 33.54 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 0.61 0.30 0.00 7.34 9.65 -1.41 -0.86 114.38 130.01 3h3s h ARG 442 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3h3s h ARG 442 Cb 0.32 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3h3s h ARG 442 CO 0.00 0.20 0.00 0.09 2.80 0.00 0.00 179.97 183.06 3h3s n ASN 443 N -5.09 0.00 0.24 -3.80 5.03 -1.26 -1.61 115.26 108.77 3h3s n ASN 443 Ca 0.10 0.30 0.12 0.00 0.87 0.00 0.00 54.58 55.96 3h3s n ASN 443 Cb 0.33 -0.42 0.51 0.00 -1.02 0.00 0.00 39.78 39.18 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 3.32 -1.50 -3.40 116.42 121.25 3h3s h ASP 444 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h3s h ASP 444 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3h3s h ASP 444 CO 0.00 0.16 -0.32 -2.67 -1.72 0.00 0.00 179.24 174.69 3h3s n TRP 445 N -3.32 0.00 -2.60 4.55 4.27 -1.05 -5.07 117.44 114.23 3h3s n TRP 445 Ca 0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.20 3h3s n TRP 445 Cb 0.40 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.31 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 -1.24 4.56 0.00 -2.67 2.56 -0.63 -4.73 118.70 116.55 3h3s s GLU 446 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 54.97 56.55 3h3s s GLU 446 Cb 0.00 -3.38 0.00 0.00 2.00 0.00 0.00 34.13 32.75 3h3s s GLU 446 CO 0.00 -0.04 0.54 0.25 -0.56 0.00 0.00 175.26 175.46 3h3s n THR 447 N 3.42 0.09 0.20 -1.70 -2.24 -1.26 -4.73 114.28 108.07 3h3s n THR 447 Ca 0.06 -0.54 0.08 0.00 -2.27 0.00 0.00 64.05 61.37 3h3s n THR 447 Cb 0.48 0.96 0.15 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.05 0.51 -4.03 4.28 -2.24 -1.26 -4.94 114.28 106.55 3h3s n THR 448 Ca 0.00 -0.76 -0.34 0.00 -2.27 0.00 0.00 64.05 60.69 3h3s n THR 448 Cb 0.03 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.17 5.01 -0.18 2.28 1.01 -1.26 -0.88 121.20 126.01 3h3s s ILE 449 Ca 0.27 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 3h3s s ILE 449 Cb 0.16 -3.28 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 3h3s s ILE 449 CO 0.22 0.39 -0.15 1.21 0.00 0.00 0.00 174.94 176.60 3h3s n GLU 450 N 1.27 0.51 -3.94 2.79 2.13 0.88 -4.60 120.64 119.68 3h3s n GLU 450 Ca -0.14 0.44 -0.10 0.00 0.66 0.00 0.00 57.16 58.02 3h3s n GLU 450 Cb 0.53 -1.62 -0.10 0.00 0.27 0.00 0.00 31.44 30.52 3h3s n GLU 450 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3h3s s ASN 451 N -6.22 0.17 0.10 4.31 0.01 -1.15 -4.98 114.94 107.17 3h3s s ASN 451 Ca -0.24 -0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 51.40 3h3s s ASN 451 Cb 0.05 0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.87 3h3s s ASN 451 CO 0.38 -0.40 0.16 0.72 -1.51 0.00 0.00 177.10 176.44 3h3s s PHE 452 N -1.93 0.32 0.08 2.20 -0.12 -1.26 -0.49 117.98 116.79 3h3s s PHE 452 Ca -0.11 -0.76 -0.20 0.00 -0.05 0.00 0.00 56.93 55.82 3h3s s PHE 452 Cb -0.06 -0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.23 3h3s s PHE 452 CO -0.02 -0.55 0.47 -3.38 -0.05 0.00 0.00 175.22 171.69 3h3s s HIS 453 N -3.91 -0.33 -0.23 3.49 -3.43 -0.06 -4.99 115.29 105.83 3h3s s HIS 453 Ca 0.09 0.23 -0.27 0.00 -0.80 0.00 0.00 55.06 54.31 3h3s s HIS 453 Cb 0.05 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 3h3s s HIS 453 CO -0.08 -0.66 0.92 0.08 -2.00 0.00 0.00 174.74 173.00 3h3s s VAL 454 N -2.99 4.77 0.02 -5.38 1.01 -1.26 -1.39 120.40 115.18 3h3s s VAL 454 Ca -0.02 1.77 -0.17 0.00 0.00 0.00 0.00 61.98 63.56 3h3s s VAL 454 Cb 0.00 -4.20 -0.31 0.00 0.00 0.00 0.00 36.38 31.87 3h3s s VAL 454 CO -0.06 -0.11 1.03 0.58 0.00 0.00 0.00 175.10 176.53 3h3s h VAL 455 N 5.43 1.34 -2.31 2.92 2.07 -1.24 -3.48 116.25 120.97 3h3s h VAL 455 Ca -0.22 -2.51 -0.08 0.00 0.82 0.00 0.00 66.70 64.72 3h3s h VAL 455 Cb 1.08 2.90 -0.20 0.00 -1.52 0.00 0.00 31.29 33.55 3h3s h VAL 455 CO 0.92 0.75 0.02 -0.70 0.02 0.00 0.00 177.57 178.58 3h3s s GLU 456 N -2.77 0.86 -0.28 1.57 2.12 -1.18 -4.99 118.70 114.02 3h3s s GLU 456 Ca -0.11 0.36 -0.08 0.00 0.36 0.00 0.00 54.97 55.51 3h3s s GLU 456 Cb 0.04 0.40 -0.01 0.00 0.26 0.00 0.00 34.13 34.82 3h3s s GLU 456 CO 0.91 -0.21 0.10 0.99 -0.54 0.00 0.00 175.26 176.50 3h3s s THR 457 N -0.70 4.30 -0.09 -1.70 2.01 -1.26 -0.84 115.64 117.37 3h3s s THR 457 Ca -0.08 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 3h3s s THR 457 Cb -0.03 -3.13 -0.26 0.00 0.01 0.00 0.00 72.50 69.10 3h3s s THR 457 CO 0.06 0.18 0.50 -0.07 -0.69 0.00 0.00 174.62 174.60 3h3s h LEU 458 N 8.27 0.34 -7.99 4.42 3.38 -1.27 -3.49 115.31 118.97 3h3s h LEU 458 Ca -0.34 -0.71 0.02 0.00 0.09 0.00 0.00 57.88 56.94 3h3s h LEU 458 Cb 1.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3h3s h LEU 458 CO 0.60 1.63 0.35 0.00 0.09 0.00 0.00 178.44 181.11 3h3s s ALA 459 N -2.57 -0.94 0.39 1.53 0.00 -0.81 -4.69 121.76 114.66 3h3s s ALA 459 Ca -0.17 -0.66 0.37 0.00 0.00 0.00 0.00 51.96 51.51 3h3s s ALA 459 Cb 0.07 0.69 1.82 0.00 0.00 0.00 0.00 23.12 25.70 3h3s s ALA 459 CO 0.80 -1.01 2.16 -0.44 0.00 0.00 0.00 175.76 177.27 3h3s h ASP 460 N 2.00 0.00 -0.14 0.00 3.45 -2.02 -2.80 116.42 116.91 3h3s h ASP 460 Ca -0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.15 3h3s h ASP 460 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 3h3s h ASP 460 CO 0.40 0.02 0.00 -0.46 -1.57 0.00 0.00 179.24 177.63 3h3s n ASN 461 N -3.20 2.63 -3.71 6.45 6.94 -1.26 -5.02 115.26 118.09 3h3s n ASN 461 Ca -0.01 -2.35 -0.12 0.00 -0.02 0.00 0.00 54.58 52.08 3h3s n ASN 461 Cb 0.20 -0.23 -0.12 0.00 -2.36 0.00 0.00 39.78 37.27 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 -1.62 -0.77 0.09 -2.53 0.00 -1.06 -1.82 121.76 114.06 3h3s s ALA 462 Ca 0.19 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.34 3h3s s ALA 462 Cb 0.14 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3h3s s ALA 462 CO 0.07 -0.24 0.07 0.96 0.00 0.00 0.00 175.76 176.61 3h3s s ILE 463 N 1.37 0.15 -0.13 0.00 -4.36 -0.69 -0.71 121.20 116.83 3h3s s ILE 463 Ca -0.09 -1.67 -0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3h3s s ILE 463 Cb -0.10 -1.68 -0.02 0.00 1.25 0.00 0.00 42.46 41.92 3h3s s ILE 463 CO -0.10 -0.70 -0.12 -0.63 0.24 0.00 0.00 174.94 173.63 3h3s s ILE 464 N -3.95 3.19 -0.03 8.37 1.01 -0.02 -0.00 121.20 129.77 3h3s s ILE 464 Ca 0.13 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.21 3h3s s ILE 464 Cb 0.07 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 3h3s s ILE 464 CO -0.06 0.53 -0.19 -0.63 0.00 0.00 0.00 174.94 174.60 3h3s s ILE 465 N 0.25 1.49 -0.10 2.92 1.01 0.97 -0.65 121.20 127.09 3h3s s ILE 465 Ca -0.08 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.78 3h3s s ILE 465 Cb -0.15 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 3h3s s ILE 465 CO 0.05 0.42 -0.08 -0.47 0.00 0.00 0.00 174.94 174.86 3h3s s TYR 466 N -0.26 2.91 -0.01 3.97 5.04 -0.49 -0.82 117.35 127.69 3h3s s TYR 466 Ca 0.03 -0.22 -0.18 0.00 -2.44 0.00 0.00 57.07 54.26 3h3s s TYR 466 Cb -0.09 -1.80 0.03 0.00 0.35 0.00 0.00 41.96 40.46 3h3s s TYR 466 CO 0.00 0.11 0.39 1.14 -1.34 0.00 0.00 175.55 175.86 3h3s s GLN 467 N -0.25 0.78 0.03 4.97 -2.07 -0.62 -0.88 119.66 121.61 3h3s s GLN 467 Ca 0.03 -0.13 0.03 0.00 -1.82 0.00 0.00 55.36 53.47 3h3s s GLN 467 Cb -0.13 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 3h3s s GLN 467 CO 0.03 -0.23 -0.00 0.95 -1.32 0.00 0.00 175.29 174.72 3h3s s THR 468 N -1.46 4.10 0.07 3.63 -4.23 0.36 -1.35 115.64 116.76 3h3s s THR 468 Ca -0.12 -0.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 3h3s s THR 468 Cb -0.04 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 3h3s s THR 468 CO 0.05 0.30 0.09 -1.00 -0.54 0.00 0.00 174.62 173.52 3h3s s HIS 469 N -1.15 3.24 0.76 3.99 3.76 -0.73 -0.08 115.29 125.08 3h3s s HIS 469 Ca 0.21 0.11 -0.15 0.00 -0.15 0.00 0.00 55.06 55.08 3h3s s HIS 469 Cb -0.12 -1.65 0.03 0.00 1.11 0.00 0.00 32.58 31.96 3h3s s HIS 469 CO 0.13 0.53 1.02 1.63 -0.85 0.00 0.00 174.74 177.20 3h3s n LYS 470 N 0.51 0.36 -2.48 1.40 5.02 -0.06 -4.43 118.16 118.49 3h3s n LYS 470 Ca -0.09 0.19 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 3h3s n LYS 470 Cb 0.52 -2.28 -0.00 0.00 -0.02 0.00 0.00 35.03 33.24 3h3s n LYS 470 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h3s n ARG 471 N -2.34 3.13 0.06 1.97 1.74 -1.26 -4.70 116.66 115.26 3h3s n ARG 471 Ca 0.13 -3.19 0.13 0.00 -0.77 0.00 0.00 57.85 54.14 3h3s n ARG 471 Cb 0.50 -3.48 0.34 0.00 -1.02 0.00 0.00 32.46 28.80 3h3s n ARG 471 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3h3s n VAL 472 N 6.30 0.35 -4.13 1.55 0.24 -1.26 -4.84 118.33 116.54 3h3s n VAL 472 Ca 0.49 -0.20 -0.27 0.00 -2.04 0.00 0.00 64.34 62.32 3h3s n VAL 472 Cb 0.45 -0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 32.44 3h3s n VAL 472 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3h3s s TRP 473 N -3.09 3.02 -1.19 6.34 0.51 -1.26 -4.96 118.94 118.31 3h3s s TRP 473 Ca 0.10 -0.05 -0.18 0.00 -2.12 0.00 0.00 56.10 53.84 3h3s s TRP 473 Cb 0.14 -1.48 -0.03 0.00 -0.81 0.00 0.00 33.47 31.29 3h3s s TRP 473 CO 0.64 0.51 2.00 -0.35 -0.51 0.00 0.00 176.95 179.24 3h3s n PRO 474 N -0.05 2.35 -3.78 4.98 -0.04 -1.26 -4.77 135.00 132.44 3h3s n PRO 474 Ca -0.09 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 60.87 3h3s n PRO 474 Cb 0.54 -3.29 0.02 0.00 -0.04 0.00 0.00 33.50 30.73 3h3s n PRO 474 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h3s n ALA 475 N 8.20 -2.99 -0.84 0.55 0.00 -1.26 -4.82 120.51 119.34 3h3s n ALA 475 Ca 0.50 -0.83 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 3h3s n ALA 475 Cb 0.42 0.30 0.15 0.00 0.00 0.00 0.00 19.45 20.32 3h3s n ALA 475 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h3s s SER 476 N -3.48 3.27 0.43 0.00 0.01 -1.26 -4.96 113.70 107.71 3h3s s SER 476 Ca 0.25 2.07 -0.25 0.00 1.31 0.00 0.00 55.95 59.33 3h3s s SER 476 Cb -0.01 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 3h3s s SER 476 CO 0.02 -2.86 1.31 -1.58 0.41 0.00 0.00 173.24 170.54 3h3s s GLN 477 N -4.72 3.86 -0.01 12.44 0.74 -1.26 -4.83 119.66 125.88 3h3s s GLN 477 Ca 0.65 2.17 -0.01 0.00 0.05 0.00 0.00 55.36 58.22 3h3s s GLN 477 Cb -0.21 -2.68 -0.04 0.00 1.10 0.00 0.00 33.01 31.17 3h3s s GLN 477 CO 0.58 -0.59 0.11 1.03 -0.55 0.00 0.00 175.29 175.87 3h3s s ARG 478 N -2.35 3.19 0.44 1.67 3.00 -1.26 -1.38 118.95 122.26 3h3s s ARG 478 Ca 0.59 -0.42 0.04 0.00 0.00 0.00 0.00 55.73 55.94 3h3s s ARG 478 Cb -0.38 -2.94 -0.05 0.00 0.00 0.00 0.00 34.95 31.58 3h3s s ARG 478 CO 0.49 0.66 0.02 0.16 0.00 0.00 0.00 175.30 176.63 3h3s s ASP 479 N -1.77 3.76 -0.00 0.23 1.47 -0.64 -1.78 116.67 117.94 3h3s s ASP 479 Ca 0.24 -1.49 -0.23 0.00 1.18 0.00 0.00 52.55 52.25 3h3s s ASP 479 Cb -0.12 0.02 0.05 0.00 -0.34 0.00 0.00 42.92 42.52 3h3s s ASP 479 CO 0.15 -0.64 0.50 0.54 0.68 0.00 0.00 175.17 176.40 3h3s s VAL 480 N -2.86 0.03 -0.18 2.11 0.11 -0.46 -1.23 120.40 117.93 3h3s s VAL 480 Ca 0.24 -0.25 -0.05 0.00 -2.93 0.00 0.00 61.98 58.99 3h3s s VAL 480 Cb 0.06 -0.88 0.07 0.00 -1.53 0.00 0.00 36.38 34.10 3h3s s VAL 480 CO 0.12 -0.14 0.12 -0.22 -3.33 0.00 0.00 175.10 171.65 3h3s s LEU 481 N -1.52 0.26 0.02 2.54 2.96 -1.26 -1.58 118.68 120.10 3h3s s LEU 481 Ca -0.10 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.25 3h3s s LEU 481 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.53 3h3s s LEU 481 CO 0.04 -0.35 -0.03 -0.72 -1.32 0.00 0.00 176.35 173.98 3h3s s TYR 482 N 2.18 0.23 0.04 5.38 -0.85 0.00 -2.13 117.35 122.19 3h3s s TYR 482 Ca 0.03 -0.47 -0.24 0.00 -0.52 0.00 0.00 57.07 55.88 3h3s s TYR 482 Cb -0.16 -0.17 -0.06 0.00 0.38 0.00 0.00 41.96 41.96 3h3s s TYR 482 CO -0.11 -0.17 0.71 -1.17 -1.52 0.00 0.00 175.55 173.29 3h3s s LEU 483 N -1.30 4.45 -0.15 -3.49 0.20 0.50 -0.02 118.68 118.87 3h3s s LEU 483 Ca -0.14 1.37 0.00 0.00 0.69 0.00 0.00 54.13 56.05 3h3s s LEU 483 Cb -0.09 -3.14 0.02 0.00 -0.43 0.00 0.00 46.19 42.56 3h3s s LEU 483 CO -0.01 0.06 -0.14 -0.55 -0.29 0.00 0.00 176.35 175.42 3h3s s SER 484 N -0.20 2.67 -0.02 3.68 0.15 1.00 -1.35 113.70 119.63 3h3s s SER 484 Ca 0.36 -0.48 0.02 0.00 0.70 0.00 0.00 55.95 56.55 3h3s s SER 484 Cb -0.20 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 3h3s s SER 484 CO 0.21 -0.06 -0.07 0.54 1.20 0.00 0.00 173.24 175.07 3h3s s VAL 485 N 1.48 0.60 -0.14 4.45 0.11 -0.52 -1.71 120.40 124.67 3h3s s VAL 485 Ca 0.05 -0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 3h3s s VAL 485 Cb -0.13 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 3h3s s VAL 485 CO -0.10 0.20 -0.10 -0.51 -3.33 0.00 0.00 175.10 171.25 3h3s s ILE 486 N 0.24 3.36 0.02 7.04 2.07 -0.76 -1.19 121.20 131.98 3h3s s ILE 486 Ca -0.03 -0.55 0.01 0.00 -1.41 0.00 0.00 60.65 58.66 3h3s s ILE 486 Cb -0.08 -2.43 -0.02 0.00 0.13 0.00 0.00 42.46 40.06 3h3s s ILE 486 CO 0.00 0.52 -0.04 -0.13 -1.91 0.00 0.00 174.94 173.37 3h3s s ARG 487 N 0.32 0.35 -0.13 3.50 1.81 -0.31 -4.85 118.95 119.63 3h3s s ARG 487 Ca -0.08 -0.52 -0.05 0.00 -1.72 0.00 0.00 55.73 53.36 3h3s s ARG 487 Cb -0.15 -0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.22 3h3s s ARG 487 CO 0.05 0.01 0.04 0.21 -0.68 0.00 0.00 175.30 174.92 3h3s s LYS 488 N -1.14 3.49 -0.35 3.54 2.20 -1.26 -1.33 119.74 124.88 3h3s s LYS 488 Ca -0.10 -0.35 -0.09 0.00 -0.36 0.00 0.00 55.97 55.07 3h3s s LYS 488 Cb -0.08 -3.02 0.03 0.00 -1.51 0.00 0.00 37.83 33.25 3h3s s LYS 488 CO -0.00 0.51 0.16 0.42 -0.36 0.00 0.00 175.35 176.08 3h3s s ILE 489 N -0.33 4.24 0.76 5.43 -1.09 0.73 -4.99 121.20 125.95 3h3s s ILE 489 Ca 0.08 -0.92 -0.14 0.00 -2.23 0.00 0.00 60.65 57.44 3h3s s ILE 489 Cb -0.12 -3.35 0.06 0.00 -1.58 0.00 0.00 42.46 37.46 3h3s s ILE 489 CO 0.02 -0.17 1.20 -2.16 -1.23 0.00 0.00 174.94 172.60 3h3s s PRO 490 N 1.50 1.94 0.42 2.79 0.04 -1.26 -1.52 135.00 138.91 3h3s s PRO 490 Ca 0.01 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 3h3s s PRO 490 Cb -0.19 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 3h3s s PRO 490 CO 0.05 -1.98 0.90 0.00 0.04 0.00 0.00 177.00 176.01 3h3s s ALA 491 N -2.07 3.12 0.20 8.56 0.00 -1.26 -4.78 121.76 125.53 3h3s s ALA 491 Ca 0.73 0.24 0.06 0.00 0.00 0.00 0.00 51.96 53.00 3h3s s ALA 491 Cb -0.29 -3.04 0.11 0.00 0.00 0.00 0.00 23.12 19.91 3h3s s ALA 491 CO 0.48 0.09 1.46 -0.07 0.00 0.00 0.00 175.76 177.71 3h3s h LEU 492 N 1.73 0.12 -8.39 0.00 3.38 -1.91 -3.46 115.31 106.77 3h3s h LEU 492 Ca -0.48 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.21 3h3s h LEU 492 Cb 1.18 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 3h3s h LEU 492 CO 0.62 0.85 -0.69 0.42 0.09 0.00 0.00 178.44 179.73 3h3s s THR 493 N -3.31 0.51 -1.18 0.22 -4.23 -1.26 -5.03 115.64 101.35 3h3s s THR 493 Ca -0.02 -1.90 0.18 0.00 -1.18 0.00 0.00 61.69 58.77 3h3s s THR 493 Cb 0.11 -1.68 0.21 0.00 1.34 0.00 0.00 72.50 72.49 3h3s s THR 493 CO 0.80 -0.87 1.55 -0.62 -0.54 0.00 0.00 174.62 174.94 3h3s n GLU 494 N -0.01 0.11 0.00 3.99 1.02 -1.26 -2.05 120.64 122.44 3h3s n GLU 494 Ca -0.12 0.17 0.14 0.00 -0.02 0.00 0.00 57.16 57.32 3h3s n GLU 494 Cb 0.61 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 31.13 3h3s n GLU 494 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h3s n ASN 495 N -1.41 0.03 -4.71 1.62 5.03 -1.26 -4.86 115.26 109.70 3h3s n ASN 495 Ca 0.06 0.46 -0.24 0.00 0.87 0.00 0.00 54.58 55.73 3h3s n ASN 495 Cb 0.18 -0.46 -0.06 0.00 -1.02 0.00 0.00 39.78 38.41 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 -3.01 4.96 0.36 6.41 1.01 -0.87 -5.12 116.67 120.40 3h3s s ASP 496 Ca 0.14 -0.43 -0.25 0.00 0.71 0.00 0.00 52.55 52.72 3h3s s ASP 496 Cb 0.19 -1.09 -0.10 0.00 1.01 0.00 0.00 42.92 42.93 3h3s s ASP 496 CO 0.54 0.02 0.99 -2.16 0.21 0.00 0.00 175.17 174.77 3h3s s PRO 497 N -3.50 4.41 0.67 8.23 0.04 -1.26 -4.86 135.00 138.73 3h3s s PRO 497 Ca 0.31 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 3h3s s PRO 497 Cb -0.08 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.79 3h3s s PRO 497 CO 0.21 0.10 1.14 -1.21 0.04 0.00 0.00 177.00 177.28 3h3s s GLU 498 N -2.27 2.66 -0.11 4.56 2.02 -1.26 -4.51 118.70 119.78 3h3s s GLU 498 Ca 0.54 1.51 -0.00 0.00 0.02 0.00 0.00 54.97 57.03 3h3s s GLU 498 Cb -0.20 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 3h3s s GLU 498 CO 0.25 -1.38 -0.10 0.99 0.02 0.00 0.00 175.26 175.04 3h3s s THR 499 N -2.20 3.37 -0.06 3.63 2.01 -0.58 -4.36 115.64 117.45 3h3s s THR 499 Ca 0.69 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.14 3h3s s THR 499 Cb -0.23 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3h3s s THR 499 CO 0.41 0.54 -0.06 0.26 -0.69 0.00 0.00 174.62 175.09 3h3s s TRP 500 N -0.01 2.96 -0.02 4.92 0.52 -0.46 -0.19 118.94 126.67 3h3s s TRP 500 Ca -0.02 0.04 -0.01 0.00 0.02 0.00 0.00 56.10 56.13 3h3s s TRP 500 Cb -0.14 -1.71 0.01 0.00 -1.15 0.00 0.00 33.47 30.48 3h3s s TRP 500 CO 0.04 0.36 0.04 -1.50 0.02 0.00 0.00 176.95 175.90 3h3s s ILE 501 N -0.85 -0.01 -0.16 2.03 2.07 -0.44 -0.59 121.20 123.25 3h3s s ILE 501 Ca 0.13 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.39 3h3s s ILE 501 Cb -0.11 -0.06 -0.01 0.00 0.13 0.00 0.00 42.46 42.41 3h3s s ILE 501 CO 0.03 0.01 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.24 3h3s s VAL 502 N 0.14 2.84 -0.18 4.00 1.01 -0.61 -1.16 120.40 126.44 3h3s s VAL 502 Ca -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 3h3s s VAL 502 Cb -0.02 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3h3s s VAL 502 CO -0.00 0.51 -0.03 0.00 0.00 0.00 0.00 175.10 175.57 3h3s s ASN 504 N 0.74 4.56 0.02 0.00 0.02 -0.15 -1.44 114.94 118.69 3h3s s ASN 504 Ca -0.01 -1.10 0.01 0.00 -1.02 0.00 0.00 52.86 50.74 3h3s s ASN 504 Cb -0.14 -1.67 -0.01 0.00 0.02 0.00 0.00 41.25 39.44 3h3s s ASN 504 CO 0.02 -0.19 -0.05 0.72 0.02 0.00 0.00 177.10 177.62 3h3s s PHE 505 N 1.27 0.45 0.42 2.20 -0.12 -0.46 -0.59 117.98 121.15 3h3s s PHE 505 Ca -0.03 -0.29 -0.26 0.00 -0.05 0.00 0.00 56.93 56.30 3h3s s PHE 505 Cb -0.18 -0.28 -0.09 0.00 -0.63 0.00 0.00 43.02 41.84 3h3s s PHE 505 CO -0.03 -0.06 1.36 -1.12 -0.05 0.00 0.00 175.22 175.32 3h3s s SER 506 N -0.84 6.14 0.20 1.98 0.01 -0.62 -0.37 113.70 120.19 3h3s s SER 506 Ca -0.05 2.77 -0.02 0.00 1.31 0.00 0.00 55.95 59.96 3h3s s SER 506 Cb -0.06 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 3h3s s SER 506 CO -0.00 -0.98 0.15 0.68 0.41 0.00 0.00 173.24 173.50 3h3s s VAL 507 N -1.23 0.01 0.18 3.43 -7.23 -0.91 -4.79 120.40 109.85 3h3s s VAL 507 Ca 0.58 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 3h3s s VAL 507 Cb -0.41 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 3h3s s VAL 507 CO 0.52 -0.03 0.27 -1.81 -0.31 0.00 0.00 175.10 173.74 3h3s s ASP 508 N -3.14 6.14 -0.21 4.85 1.01 -1.26 -4.65 116.67 119.40 3h3s s ASP 508 Ca 0.37 0.07 -0.18 0.00 0.71 0.00 0.00 52.55 53.53 3h3s s ASP 508 Cb 0.07 -1.78 0.06 0.00 1.01 0.00 0.00 42.92 42.27 3h3s s ASP 508 CO 0.11 0.03 0.56 -2.28 0.21 0.00 0.00 175.17 173.79 3h3s s HIS 509 N -1.81 -0.68 0.34 4.23 2.46 -1.26 -5.04 115.29 113.53 3h3s s HIS 509 Ca 0.34 1.56 0.03 0.00 0.47 0.00 0.00 55.06 57.46 3h3s s HIS 509 Cb -0.10 0.28 0.64 0.00 -0.13 0.00 0.00 32.58 33.27 3h3s s HIS 509 CO 0.27 -0.34 1.95 -0.44 -2.47 0.00 0.00 174.74 173.72 3h3s h ASP 510 N 5.77 0.77 0.58 9.88 3.32 -2.01 -1.94 116.42 132.78 3h3s h ASP 510 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3h3s h ASP 510 Cb 1.18 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3h3s h ASP 510 CO 0.17 0.50 0.00 -1.20 -1.72 0.00 0.00 179.24 177.00 3h3s n SER 511 N -4.47 0.00 -3.22 6.45 7.64 -1.26 -4.05 113.62 114.70 3h3s n SER 511 Ca 0.11 0.11 -0.24 0.00 1.01 0.00 0.00 58.87 59.87 3h3s n SER 511 Cb 0.19 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.35 2.88 -1.63 -0.43 0.00 -0.73 -5.12 120.51 114.14 3h3s n ALA 512 Ca 0.10 -3.80 -0.29 0.00 0.00 0.00 0.00 53.44 49.45 3h3s n ALA 512 Cb 0.22 -0.85 0.12 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.85 1.35 0.42 0.00 0.04 -1.25 -4.55 135.00 129.16 3h3s s PRO 513 Ca 0.38 0.25 -0.23 0.00 0.04 0.00 0.00 61.00 61.44 3h3s s PRO 513 Cb 0.21 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.76 3h3s s PRO 513 CO -0.09 -2.04 0.66 1.28 0.04 0.00 0.00 177.00 176.85 3h3s n LEU 514 N -3.65 0.61 -4.92 -3.56 4.77 -1.26 -4.97 117.00 104.01 3h3s n LEU 514 Ca 0.07 0.94 -0.26 0.00 -0.03 0.00 0.00 56.01 56.74 3h3s n LEU 514 Cb 0.60 -1.17 0.02 0.00 -2.33 0.00 0.00 43.42 40.54 3h3s n LEU 514 CO 0.57 -2.54 0.43 0.21 -1.33 0.00 0.00 177.39 174.73 3h3s s ASN 515 N -0.91 5.85 -0.03 -1.43 3.84 -1.26 -5.02 114.94 115.99 3h3s s ASN 515 Ca 0.63 0.65 -0.02 0.00 0.21 0.00 0.00 52.86 54.34 3h3s s ASN 515 Cb -0.60 -1.81 -0.27 0.00 -0.55 0.00 0.00 41.25 38.02 3h3s s ASN 515 CO 0.58 -0.81 0.72 -1.13 -2.79 0.00 0.00 177.10 173.66 3h3s h ASN 516 N 0.11 0.34 0.66 -4.21 -0.73 -2.04 -3.40 115.58 106.32 3h3s h ASN 516 Ca -0.46 -0.56 -0.16 0.00 1.87 0.00 0.00 56.30 56.99 3h3s h ASN 516 Cb 1.24 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.69 3h3s h ASN 516 CO 0.60 1.48 -1.45 0.54 -0.37 0.00 0.00 177.43 178.22 3h3s n ARG 517 N -3.40 0.62 -4.29 6.67 1.74 -1.26 -4.96 116.66 111.78 3h3s n ARG 517 Ca -0.20 0.19 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 3h3s n ARG 517 Cb 1.05 -1.79 -0.10 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.16 5.05 -0.47 0.00 1.01 -0.48 -4.44 120.40 119.91 3h3s s VAL 519 Ca 0.21 1.32 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 3h3s s VAL 519 Cb -0.11 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3h3s s VAL 519 CO 0.12 0.21 1.18 -0.60 0.00 0.00 0.00 175.10 176.02 3h3s s ARG 520 N 1.13 3.69 0.62 2.72 6.06 -1.26 -1.62 118.95 130.29 3h3s s ARG 520 Ca 0.34 0.61 -0.09 0.00 -2.50 0.00 0.00 55.73 54.08 3h3s s ARG 520 Cb -0.17 -3.93 -0.01 0.00 0.06 0.00 0.00 34.95 30.90 3h3s s ARG 520 CO 0.15 -1.42 0.99 0.00 -2.50 0.00 0.00 175.30 172.51 3h3s s ALA 521 N 4.62 3.12 -0.02 6.12 0.00 -0.36 -4.44 121.76 130.79 3h3s s ALA 521 Ca 0.50 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.15 3h3s s ALA 521 Cb -0.08 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 3h3s s ALA 521 CO 0.32 -0.81 -0.18 0.15 0.00 0.00 0.00 175.76 175.24 3h3s s LYS 522 N -5.14 1.51 0.11 0.00 -0.14 -0.73 -4.62 119.74 110.74 3h3s s LYS 522 Ca 0.55 -0.64 0.05 0.00 -1.36 0.00 0.00 55.97 54.57 3h3s s LYS 522 Cb -0.11 -1.43 -0.04 0.00 -1.68 0.00 0.00 37.83 34.57 3h3s s LYS 522 CO 0.50 0.36 -0.12 0.96 -0.76 0.00 0.00 175.35 176.29 3h3s s ILE 523 N -0.34 1.13 -0.24 2.17 -4.36 -1.26 -0.49 121.20 117.81 3h3s s ILE 523 Ca 0.05 -1.68 -0.03 0.00 -0.26 0.00 0.00 60.65 58.73 3h3s s ILE 523 Cb -0.08 -1.44 0.10 0.00 1.25 0.00 0.00 42.46 42.29 3h3s s ILE 523 CO -0.00 -0.49 0.21 0.21 0.24 0.00 0.00 174.94 175.10 3h3s s ASN 524 N -2.45 2.05 0.04 4.36 2.47 -0.28 -1.59 114.94 119.53 3h3s s ASN 524 Ca 0.07 -0.65 0.05 0.00 0.42 0.00 0.00 52.86 52.75 3h3s s ASN 524 Cb -0.04 0.19 -0.02 0.00 -1.45 0.00 0.00 41.25 39.92 3h3s s ASN 524 CO 0.02 -0.37 -0.15 -0.69 -3.72 0.00 0.00 177.10 172.18 3h3s s VAL 525 N 2.27 1.21 -0.02 -5.21 1.01 0.24 -0.88 120.40 119.02 3h3s s VAL 525 Ca 0.07 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 3h3s s VAL 525 Cb -0.15 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.15 3h3s s VAL 525 CO -0.23 0.04 0.05 0.00 0.00 0.00 0.00 175.10 174.96 3h3s s ALA 526 N -0.84 -0.12 -0.28 5.51 0.00 -0.04 -0.98 121.76 125.00 3h3s s ALA 526 Ca 0.03 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 3h3s s ALA 526 Cb -0.08 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.97 3h3s s ALA 526 CO 0.01 -0.03 0.01 1.41 0.00 0.00 0.00 175.76 177.17 3h3s s MET 527 N 0.08 2.88 -0.10 0.00 -2.45 0.02 -0.80 119.30 118.94 3h3s s MET 527 Ca -0.00 -0.97 0.04 0.00 -1.25 0.00 0.00 55.69 53.50 3h3s s MET 527 Cb -0.01 -3.20 0.00 0.00 1.25 0.00 0.00 34.83 32.88 3h3s s MET 527 CO -0.00 -0.46 -0.22 0.42 1.05 0.00 0.00 175.02 175.81 3h3s s ILE 528 N 1.39 1.96 0.01 10.11 1.01 0.11 -1.58 121.20 134.21 3h3s s ILE 528 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.71 3h3s s ILE 528 Cb -0.17 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 3h3s s ILE 528 CO -0.01 0.54 -0.04 0.00 0.00 0.00 0.00 174.94 175.43 3h3s s GLN 530 N -0.51 0.51 -0.14 0.00 -0.21 -0.12 -1.36 119.66 117.84 3h3s s GLN 530 Ca -0.03 -0.25 -0.13 0.00 0.02 0.00 0.00 55.36 54.97 3h3s s GLN 530 Cb -0.04 -0.48 -0.05 0.00 1.00 0.00 0.00 33.01 33.44 3h3s s GLN 530 CO -0.00 0.13 0.29 0.99 -2.12 0.00 0.00 175.29 174.58 3h3s s THR 531 N -0.21 5.29 -0.02 -0.19 2.01 -1.26 -0.55 115.64 120.71 3h3s s THR 531 Ca 0.02 0.55 -0.00 0.00 0.31 0.00 0.00 61.69 62.57 3h3s s THR 531 Cb -0.03 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3h3s s THR 531 CO -0.00 0.43 0.03 -0.76 -0.69 0.00 0.00 174.62 173.63 3h3s s LEU 532 N 0.18 3.69 0.06 4.42 1.43 0.43 -4.70 118.68 124.19 3h3s s LEU 532 Ca 0.17 0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 3h3s s LEU 532 Cb -0.13 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 3h3s s LEU 532 CO 0.05 0.30 -0.18 -0.69 0.23 0.00 0.00 176.35 176.07 3h3s s VAL 533 N -1.08 1.41 -0.41 -1.59 1.01 -1.26 -1.40 120.40 117.08 3h3s s VAL 533 Ca 0.19 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.95 3h3s s VAL 533 Cb -0.12 -1.28 0.15 0.00 0.00 0.00 0.00 36.38 35.14 3h3s s VAL 533 CO 0.10 0.00 0.29 -0.55 0.00 0.00 0.00 175.10 174.94 3h3s s SER 534 N -1.44 2.52 0.66 3.32 0.15 0.38 -5.01 113.70 114.28 3h3s s SER 534 Ca 0.04 -2.74 -0.17 0.00 0.70 0.00 0.00 55.95 53.78 3h3s s SER 534 Cb -0.09 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 3h3s s SER 534 CO 0.02 -0.23 1.22 -2.84 1.20 0.00 0.00 173.24 172.61 3h3s s PRO 535 N 0.37 2.54 0.84 5.44 0.02 -1.26 -4.72 135.00 138.23 3h3s s PRO 535 Ca 0.25 1.83 -0.11 0.00 0.02 0.00 0.00 61.00 62.99 3h3s s PRO 535 Cb -0.10 -1.87 0.10 0.00 0.02 0.00 0.00 34.50 32.64 3h3s s PRO 535 CO -0.09 -1.54 1.10 -1.25 -0.33 0.00 0.00 177.00 174.88 3h3s s PRO 536 N -3.62 1.66 0.32 5.54 0.04 -1.26 -4.95 135.00 132.74 3h3s s PRO 536 Ca 0.77 1.11 0.14 0.00 0.04 0.00 0.00 61.00 63.05 3h3s s PRO 536 Cb -0.31 -1.83 0.52 0.00 0.04 0.00 0.00 34.50 32.92 3h3s s PRO 536 CO 0.40 -2.04 1.69 1.49 0.04 0.00 0.00 177.00 178.57 3h3s h GLU 537 N -1.42 0.00 0.00 4.56 4.81 -1.92 -3.48 114.58 117.13 3h3s h GLU 537 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3h3s h GLU 537 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3h3s h GLU 537 CO 0.51 0.50 0.00 0.41 -0.73 0.00 0.00 179.01 179.70 3h3s n GLY 538 N 0.12 3.21 0.12 1.92 0.00 -1.26 -5.01 105.19 104.29 3h3s n GLY 538 Ca -0.01 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.64 -4.76 1.61 5.03 -1.26 -4.85 115.26 111.66 3h3s n ASN 539 Ca 0.00 0.64 -0.39 0.00 0.87 0.00 0.00 54.58 55.70 3h3s n ASN 539 Cb 0.00 -0.78 -0.05 0.00 -1.02 0.00 0.00 39.78 37.93 3h3s n ASN 539 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3h3s s GLN 540 N -3.27 4.57 0.46 3.52 1.11 -1.26 -5.04 119.66 119.75 3h3s s GLN 540 Ca 0.05 1.63 -0.21 0.00 0.01 0.00 0.00 55.36 56.84 3h3s s GLN 540 Cb 0.10 -3.02 -0.09 0.00 -1.01 0.00 0.00 33.01 28.99 3h3s s GLN 540 CO 0.41 0.20 1.04 -1.21 0.01 0.00 0.00 175.29 175.74 3h3s s GLU 541 N -1.69 3.92 0.07 2.91 2.02 -1.26 -4.70 118.70 119.97 3h3s s GLU 541 Ca 0.47 1.40 -0.35 0.00 0.02 0.00 0.00 54.97 56.52 3h3s s GLU 541 Cb -0.27 -2.23 -0.14 0.00 0.10 0.00 0.00 34.13 31.58 3h3s s GLU 541 CO 0.35 -0.33 1.59 -0.89 0.02 0.00 0.00 175.26 175.99 3h3s n ILE 542 N -0.68 0.12 -4.30 -1.63 5.41 -1.26 -4.88 119.36 112.15 3h3s n ILE 542 Ca 0.08 -0.02 -0.19 0.00 1.00 0.00 0.00 62.75 63.62 3h3s n ILE 542 Cb 0.52 -1.41 -0.03 0.00 -0.71 0.00 0.00 39.64 38.01 3h3s n ILE 542 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3h3s n SER 543 N 3.91 2.68 0.13 4.38 3.41 -1.26 -5.02 113.62 121.85 3h3s n SER 543 Ca 0.19 -2.32 0.12 0.00 -0.26 0.00 0.00 58.87 56.61 3h3s n SER 543 Cb 0.25 0.16 0.48 0.00 -0.26 0.00 0.00 64.21 64.85 3h3s n SER 543 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h3s n ARG 544 N -0.89 0.21 0.18 4.33 1.74 -1.26 -1.45 116.66 119.52 3h3s n ARG 544 Ca -0.10 0.39 0.13 0.00 -0.77 0.00 0.00 57.85 57.50 3h3s n ARG 544 Cb 0.39 -1.87 0.60 0.00 -1.02 0.00 0.00 32.46 30.56 3h3s n ARG 544 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3h3s h ASP 545 N 0.00 0.00 -0.34 0.55 3.32 -1.95 -3.12 116.42 114.88 3h3s h ASP 545 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h3s h ASP 545 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3h3s h ASP 545 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3h3s n ASN 546 N -2.46 3.10 -4.29 6.45 5.03 -0.53 -4.94 115.26 117.63 3h3s n ASN 546 Ca 0.01 -1.90 -0.24 0.00 0.87 0.00 0.00 54.58 53.32 3h3s n ASN 546 Cb 0.19 -0.22 -0.13 0.00 -1.02 0.00 0.00 39.78 38.61 3h3s n ASN 546 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3h3s s ILE 547 N -1.23 1.74 -0.03 2.41 -4.36 -1.18 -0.47 121.20 118.08 3h3s s ILE 547 Ca 0.31 -1.54 -0.03 0.00 -0.26 0.00 0.00 60.65 59.14 3h3s s ILE 547 Cb 0.18 -1.57 0.01 0.00 1.25 0.00 0.00 42.46 42.32 3h3s s ILE 547 CO 0.25 -0.04 0.08 -0.22 0.24 0.00 0.00 174.94 175.25 3h3s s LEU 548 N -1.88 1.71 -0.23 0.37 2.96 -0.49 -1.25 118.68 119.87 3h3s s LEU 548 Ca 0.07 0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 54.05 3h3s s LEU 548 Cb -0.10 0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.84 3h3s s LEU 548 CO 0.04 -0.04 0.04 0.00 -1.32 0.00 0.00 176.35 175.07 3h3s s LYS 550 N 1.32 4.26 -0.06 0.00 -0.14 0.29 -0.55 119.74 124.86 3h3s s LYS 550 Ca 0.05 0.51 0.06 0.00 -1.36 0.00 0.00 55.97 55.23 3h3s s LYS 550 Cb -0.15 -3.52 -0.01 0.00 -1.68 0.00 0.00 37.83 32.47 3h3s s LYS 550 CO 0.02 -0.06 -0.24 0.42 -0.76 0.00 0.00 175.35 174.73 3h3s s ILE 551 N 1.32 2.13 -0.12 2.17 1.01 -0.46 -0.94 121.20 126.31 3h3s s ILE 551 Ca 0.27 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3h3s s ILE 551 Cb -0.16 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.55 3h3s s ILE 551 CO 0.11 0.57 -0.17 -0.89 0.00 0.00 0.00 174.94 174.55 3h3s s THR 552 N -0.20 1.67 -0.12 2.92 2.01 0.16 -1.53 115.64 120.55 3h3s s THR 552 Ca -0.02 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.25 3h3s s THR 552 Cb -0.13 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 70.88 3h3s s THR 552 CO 0.03 0.47 -0.19 -0.47 -0.69 0.00 0.00 174.62 173.78 3h3s s TYR 553 N 0.93 2.33 -0.05 4.92 6.14 0.24 0.06 117.35 131.92 3h3s s TYR 553 Ca -0.07 -1.11 0.05 0.00 0.64 0.00 0.00 57.07 56.58 3h3s s TYR 553 Cb -0.15 -1.62 -0.01 0.00 0.42 0.00 0.00 41.96 40.60 3h3s s TYR 553 CO -0.02 -0.53 -0.21 0.14 0.64 0.00 0.00 175.55 175.58 3h3s s VAL 554 N 0.83 1.73 -0.06 3.14 -7.23 0.02 -0.23 120.40 118.60 3h3s s VAL 554 Ca -0.08 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 3h3s s VAL 554 Cb -0.16 -1.47 0.02 0.00 0.56 0.00 0.00 36.38 35.34 3h3s s VAL 554 CO -0.00 0.49 -0.03 0.00 -0.31 0.00 0.00 175.10 175.24 3h3s s ALA 555 N -0.12 0.77 -0.25 1.32 0.00 -0.32 -0.86 121.76 122.30 3h3s s ALA 555 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 3h3s s ALA 555 Cb -0.12 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.44 3h3s s ALA 555 CO 0.02 -0.22 -0.08 -0.80 0.00 0.00 0.00 175.76 174.68 3h3s s ASN 556 N 1.38 4.26 -0.09 0.00 -0.87 -0.05 -1.52 114.94 118.05 3h3s s ASN 556 Ca -0.04 -1.03 0.04 0.00 -1.57 0.00 0.00 52.86 50.27 3h3s s ASN 556 Cb -0.13 -1.62 0.00 0.00 -0.02 0.00 0.00 41.25 39.48 3h3s s ASN 556 CO -0.03 -0.14 -0.23 -0.69 -2.57 0.00 0.00 177.10 173.44 3h3s s VAL 557 N 1.25 1.99 -0.35 1.60 1.01 -1.26 -1.13 120.40 123.52 3h3s s VAL 557 Ca -0.02 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 3h3s s VAL 557 Cb -0.17 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3h3s s VAL 557 CO -0.05 0.55 0.17 0.21 0.00 0.00 0.00 175.10 175.97 3h3s s ASN 558 N 0.33 5.57 0.43 3.32 3.84 0.36 -4.55 114.94 124.23 3h3s s ASN 558 Ca -0.18 -0.88 0.30 0.00 0.21 0.00 0.00 52.86 52.32 3h3s s ASN 558 Cb -0.18 -1.98 1.48 0.00 -0.55 0.00 0.00 41.25 40.02 3h3s s ASN 558 CO 0.08 -0.31 1.91 -0.65 -2.79 0.00 0.00 177.10 175.34 3h3s h PRO 559 N 8.37 0.00 0.00 0.43 0.11 -1.85 -1.93 132.00 137.12 3h3s h PRO 559 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3h3s h PRO 559 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h3s h PRO 559 CO 0.64 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.84 3h3s n GLY 560 N -0.69 0.62 0.00 -0.55 0.00 -1.26 -4.44 105.19 98.87 3h3s n GLY 560 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.74 1.14 3.78 -0.02 0.00 -1.26 -4.82 105.19 101.26 3h3s n GLY 561 Ca 0.00 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 3.52 0.16 1.61 -0.00 -1.26 -4.85 118.94 116.11 3h3s s TRP 562 Ca 0.00 1.72 -0.19 0.00 -0.00 0.00 0.00 56.10 57.64 3h3s s TRP 562 Cb 0.00 -3.05 0.04 0.00 -0.00 0.00 0.00 33.47 30.46 3h3s s TRP 562 CO 0.00 -0.22 0.50 0.00 -0.00 0.00 0.00 176.95 177.23 3h3s s ALA 563 N -1.56 -1.14 0.06 5.86 0.00 -1.26 -4.99 121.76 118.73 3h3s s ALA 563 Ca 0.52 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 3h3s s ALA 563 Cb -0.22 0.80 -0.09 0.00 0.00 0.00 0.00 23.12 23.61 3h3s s ALA 563 CO 0.28 -0.73 1.77 -2.14 0.00 0.00 0.00 175.76 174.94 3h3s s PRO 564 N -3.81 4.17 0.21 0.00 0.02 -1.26 -4.81 135.00 129.52 3h3s s PRO 564 Ca 0.04 2.45 -0.09 0.00 0.02 0.00 0.00 61.00 63.42 3h3s s PRO 564 Cb 0.00 -3.75 0.26 0.00 0.02 0.00 0.00 34.50 31.03 3h3s s PRO 564 CO -0.10 -0.82 1.79 0.00 -0.33 0.00 0.00 177.00 177.54 3h3s h ALA 565 N 9.00 0.89 -0.79 -1.55 0.00 -1.99 -2.26 119.26 122.56 3h3s h ALA 565 Ca -0.45 0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.61 3h3s h ALA 565 Cb 1.21 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 3h3s h ALA 565 CO 0.94 -0.01 0.41 0.66 0.00 0.00 0.00 179.25 181.26 3h3s h SER 566 N 0.63 0.54 -0.13 0.00 4.64 -1.99 0.12 113.55 117.35 3h3s h SER 566 Ca 0.31 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 3h3s h SER 566 Cb 0.25 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3h3s h SER 566 CO -0.21 0.28 -0.21 0.58 -0.87 0.00 0.00 176.83 176.40 3h3s h VAL 567 N 0.66 1.37 -0.96 0.95 2.07 -1.83 -1.95 116.25 116.56 3h3s h VAL 567 Ca 0.40 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.49 3h3s h VAL 567 Cb 0.46 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 3h3s h VAL 567 CO -0.29 0.42 0.63 -0.07 0.02 0.00 0.00 177.57 178.28 3h3s h LEU 568 N -0.03 1.07 -0.41 2.57 3.38 -0.97 0.60 115.31 121.51 3h3s h LEU 568 Ca 0.01 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3h3s h LEU 568 Cb 0.78 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3h3s h LEU 568 CO 0.05 0.75 -0.33 0.03 0.09 0.00 0.00 178.44 179.03 3h3s h ARG 569 N 1.25 0.95 -0.62 1.13 3.08 -0.78 -1.35 114.38 118.05 3h3s h ARG 569 Ca 0.37 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3h3s h ARG 569 Cb -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3h3s h ARG 569 CO -0.10 1.14 0.32 0.00 -1.07 0.00 0.00 179.97 180.25 3h3s h ALA 570 N 0.80 0.79 -0.54 0.04 0.00 -0.81 -1.61 119.26 117.94 3h3s h ALA 570 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3h3s h ALA 570 Cb 0.92 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3h3s h ALA 570 CO 0.09 0.33 0.20 0.28 0.00 0.00 0.00 179.25 180.15 3h3s h VAL 571 N 0.84 1.22 -0.58 0.00 2.07 -0.77 -1.47 116.25 117.56 3h3s h VAL 571 Ca 0.21 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 3h3s h VAL 571 Cb 0.08 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3h3s h VAL 571 CO -0.03 0.27 0.28 0.00 0.02 0.00 0.00 177.57 178.11 3h3s h ALA 572 N 1.05 0.75 -0.19 1.67 0.00 -1.09 -0.05 119.26 121.40 3h3s h ALA 572 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h3s h ALA 572 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3h3s h ALA 572 CO -0.01 0.30 0.02 -0.22 0.00 0.00 0.00 179.25 179.35 3h3s h LYS 573 N 0.79 0.27 0.00 0.00 3.64 -0.93 -2.02 116.57 118.33 3h3s h LYS 573 Ca 0.20 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3h3s h LYS 573 Cb 0.11 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3h3s h LYS 573 CO -0.03 0.28 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.34 3h3s h ARG 574 N 0.27 -0.00 0.15 1.90 2.43 -0.96 -3.39 114.38 114.79 3h3s h ARG 574 Ca 0.07 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.94 3h3s h ARG 574 Cb 0.15 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3h3s h ARG 574 CO 0.00 0.88 -1.27 0.93 -1.51 0.00 0.00 179.97 179.00 3h3s h GLU 575 N -0.96 0.59 -0.18 0.20 4.39 -0.89 -2.94 114.58 114.79 3h3s h GLU 575 Ca -0.00 -0.84 -0.02 0.00 0.34 0.00 0.00 59.36 58.84 3h3s h GLU 575 Cb 0.89 0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 3h3s h GLU 575 CO 0.00 1.39 0.02 1.88 -1.16 0.00 0.00 179.01 181.14 3h3s h TYR 576 N 0.20 0.31 -0.13 4.33 0.05 -1.59 -1.34 116.97 118.81 3h3s h TYR 576 Ca -0.20 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.48 3h3s h TYR 576 Cb 1.96 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 39.60 3h3s h TYR 576 CO 0.12 0.46 -0.17 -1.00 -1.05 0.00 0.00 178.16 176.52 3h3s h PRO 577 N 0.08 0.21 -0.21 4.88 0.13 -1.76 0.34 132.00 135.67 3h3s h PRO 577 Ca 0.05 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3h3s h PRO 577 Cb 0.32 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 3h3s h PRO 577 CO 0.00 0.39 0.11 -0.22 -0.23 0.00 0.00 178.00 178.05 3h3s h LYS 578 N 0.20 0.30 -0.38 0.86 3.64 -1.32 -1.43 116.57 118.44 3h3s h LYS 578 Ca 0.04 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h3s h LYS 578 Cb 0.43 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3h3s h LYS 578 CO 0.03 0.29 0.22 0.35 -2.27 0.00 0.00 179.45 178.06 3h3s h PHE 579 N 0.23 0.51 -0.65 1.91 3.57 -0.94 -1.75 116.94 119.82 3h3s h PHE 579 Ca 0.07 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3h3s h PHE 579 Cb 0.08 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3h3s h PHE 579 CO -0.03 0.38 0.10 -0.07 -2.23 0.00 0.00 178.31 176.45 3h3s h LEU 580 N 0.49 1.04 -0.07 0.59 3.38 -0.59 0.26 115.31 120.41 3h3s h LEU 580 Ca 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3h3s h LEU 580 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3h3s h LEU 580 CO -0.02 1.04 -0.01 0.11 0.09 0.00 0.00 178.44 179.65 3h3s h LYS 581 N 1.00 0.14 0.28 1.13 1.57 -1.25 -1.24 116.57 118.20 3h3s h LYS 581 Ca 0.20 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3h3s h LYS 581 Cb 0.45 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3h3s h LYS 581 CO 0.01 0.45 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.11 3h3s h ARG 582 N -0.18 -0.37 -0.24 3.15 2.43 -1.06 -1.42 114.38 116.70 3h3s h ARG 582 Ca 0.02 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3h3s h ARG 582 Cb 0.39 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 3h3s h ARG 582 CO 0.01 -0.20 0.08 0.35 -1.51 0.00 0.00 179.97 178.70 3h3s h PHE 583 N -0.43 0.15 -0.39 2.20 3.57 -0.57 0.15 116.94 121.62 3h3s h PHE 583 Ca -0.04 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 3h3s h PHE 583 Cb 0.33 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3h3s h PHE 583 CO -0.04 0.07 -0.11 1.79 -2.23 0.00 0.00 178.31 177.79 3h3s h THR 584 N 0.20 1.25 -0.65 4.41 1.35 -1.21 -1.51 112.91 116.75 3h3s h THR 584 Ca 0.11 -1.11 -0.04 0.00 -0.55 0.00 0.00 66.41 64.81 3h3s h THR 584 Cb 0.07 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.54 3h3s h THR 584 CO -0.11 0.37 0.25 0.28 -0.25 0.00 0.00 175.52 176.06 3h3s h SER 585 N 0.62 0.90 -0.23 5.36 0.02 -1.12 -1.37 113.55 117.73 3h3s h SER 585 Ca 0.11 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3h3s h SER 585 Cb 0.55 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3h3s h SER 585 CO 0.03 0.84 0.11 0.22 -1.14 0.00 0.00 176.83 176.89 3h3s h TYR 586 N 0.91 0.20 -0.88 3.45 3.20 -0.36 -0.38 116.97 123.12 3h3s h TYR 586 Ca 0.21 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3h3s h TYR 586 Cb 0.22 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 3h3s h TYR 586 CO 0.01 0.11 0.45 0.28 -1.64 0.00 0.00 178.16 177.37 3h3s h VAL 587 N 0.23 1.26 -0.33 1.81 2.07 -1.00 0.59 116.25 120.87 3h3s h VAL 587 Ca 0.09 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3h3s h VAL 587 Cb 0.03 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 3h3s h VAL 587 CO -0.07 0.31 0.21 1.56 0.02 0.00 0.00 177.57 179.60 3h3s h GLN 588 N 1.24 0.45 -0.53 1.57 4.20 -0.94 -1.38 115.11 119.71 3h3s h GLN 588 Ca 0.30 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 3h3s h GLN 588 Cb 0.08 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3h3s h GLN 588 CO -0.04 0.32 0.16 0.93 -0.67 0.00 0.00 178.83 179.53 3h3s h GLU 589 N 0.44 0.84 0.00 1.46 5.08 -0.60 -2.38 114.58 119.42 3h3s h GLU 589 Ca 0.12 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3h3s h GLU 589 Cb -0.02 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3h3s h GLU 589 CO -0.02 0.77 -0.14 0.87 -1.00 0.00 0.00 179.01 179.49 3h3s h LYS 590 N 0.74 0.00 -0.01 2.33 1.79 -0.65 -3.21 116.57 117.56 3h3s h LYS 590 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3h3s h LYS 590 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3h3s h LYS 590 CO -0.00 0.14 -0.63 0.25 -1.08 0.00 0.00 179.45 178.13 3h3s n THR 591 N -3.22 0.00 -1.75 -0.16 -2.24 -0.54 -4.93 114.28 101.44 3h3s n THR 591 Ca 0.01 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3h3s n THR 591 Cb 0.45 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 3h3s n THR 591 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3s s ALA 592 N -2.48 3.86 0.00 6.98 0.00 -0.90 -1.62 121.76 127.60 3h3s s ALA 592 Ca 0.12 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3h3s s ALA 592 Cb 0.15 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3h3s s ALA 592 CO 0.63 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.79 3h3s n GLY 593 N 4.03 1.92 3.90 0.00 0.00 -1.26 -5.03 105.19 108.75 3h3s n GLY 593 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.19 3.65 0.64 1.61 1.02 -0.64 -5.06 119.74 120.78 3h3s s LYS 594 Ca 0.00 0.04 -0.18 0.00 0.02 0.00 0.00 55.97 55.85 3h3s s LYS 594 Cb 0.00 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 3h3s s LYS 594 CO 0.00 0.22 1.15 -2.30 -0.92 0.00 0.00 175.35 173.50 3h3s n PRO 595 N -0.85 0.96 -2.72 -1.68 -0.02 -1.26 -4.89 135.00 124.54 3h3s n PRO 595 Ca -0.01 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 3h3s n PRO 595 Cb 0.54 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.48 4.84 -0.58 4.25 1.01 -1.26 -5.00 121.20 122.99 3h3s s ILE 596 Ca 0.80 2.02 -0.15 0.00 0.00 0.00 0.00 60.65 63.32 3h3s s ILE 596 Cb -0.39 -4.30 0.14 0.00 0.01 0.00 0.00 42.46 37.92 3h3s s ILE 596 CO 0.43 0.10 0.53 -0.22 0.00 0.00 0.00 174.94 175.78 3h3s s LEU 597 N 1.42 6.22 0.00 2.97 0.20 -1.26 -5.15 118.68 123.09 3h3s s LEU 597 Ca 0.50 -1.95 0.19 0.00 0.69 0.00 0.00 54.13 53.56 3h3s s LEU 597 Cb -0.20 -2.19 1.14 0.00 -0.43 0.00 0.00 46.19 44.51 3h3s s LEU 597 CO 0.23 -0.80 1.53 0.49 -0.29 0.00 0.00 176.35 177.51