#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6a s ARG 358 N 0.00 3.04 0.40 4.33 0.52 -1.26 -4.90 118.95 121.07 3d6a s ARG 358 Ca 0.00 -0.87 -0.27 0.00 -0.52 0.00 0.00 55.73 54.07 3d6a s ARG 358 Cb 0.00 -2.32 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 3d6a s ARG 358 CO 0.00 0.15 1.36 0.50 0.02 0.00 0.00 175.30 177.33 3d6a s ARG 359 N 0.41 4.01 0.07 3.54 3.52 -1.26 -4.70 118.95 124.54 3d6a s ARG 359 Ca -0.17 2.28 0.03 0.00 -0.13 0.00 0.00 55.73 57.74 3d6a s ARG 359 Cb -0.18 -2.83 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 3d6a s ARG 359 CO 0.07 -0.51 -0.10 0.20 -0.81 0.00 0.00 175.30 174.16 3d6a s GLY 360 N -0.56 0.70 -0.20 8.12 0.00 -0.84 -1.14 107.32 113.41 3d6a s GLY 360 Ca 0.56 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 44.30 3d6a s GLY 360 CO 0.53 -1.05 -0.12 -0.42 0.00 0.00 0.00 173.10 172.04 3d6a s ILE 361 N -1.87 1.75 -0.32 0.90 -1.09 0.69 -1.19 121.20 120.07 3d6a s ILE 361 Ca -0.02 -1.01 -0.07 0.00 -2.23 0.00 0.00 60.65 57.32 3d6a s ILE 361 Cb -0.07 -1.77 0.02 0.00 -1.58 0.00 0.00 42.46 39.07 3d6a s ILE 361 CO 0.00 0.24 0.10 -0.22 -1.23 0.00 0.00 174.94 173.83 3d6a s LEU 362 N 1.36 4.08 -0.18 2.97 2.96 -0.08 -0.98 118.68 128.82 3d6a s LEU 362 Ca -0.00 -0.90 -0.16 0.00 -0.22 0.00 0.00 54.13 52.85 3d6a s LEU 362 Cb -0.16 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3d6a s LEU 362 CO -0.09 -0.26 0.38 -0.69 -1.32 0.00 0.00 176.35 174.37 3d6a s VAL 363 N 1.46 5.23 -0.10 1.68 1.01 0.16 -0.51 120.40 129.34 3d6a s VAL 363 Ca 0.01 0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.70 3d6a s VAL 363 Cb -0.18 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.50 3d6a s VAL 363 CO 0.03 0.30 -0.14 -0.63 0.00 0.00 0.00 175.10 174.66 3d6a s ILE 364 N 0.96 1.38 0.40 2.22 1.01 0.70 -1.70 121.20 126.15 3d6a s ILE 364 Ca 0.19 -0.58 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 3d6a s ILE 364 Cb -0.14 -1.27 -0.09 0.00 0.01 0.00 0.00 42.46 40.97 3d6a s ILE 364 CO 0.07 0.42 1.06 -0.60 0.00 0.00 0.00 174.94 175.89 3d6a s ARG 365 N 0.96 4.16 0.91 2.79 3.52 -0.26 -1.12 118.95 129.90 3d6a s ARG 365 Ca -0.08 1.56 -0.10 0.00 -0.13 0.00 0.00 55.73 56.98 3d6a s ARG 365 Cb -0.15 -2.57 0.14 0.00 -1.56 0.00 0.00 34.95 30.81 3d6a s ARG 365 CO -0.01 -0.16 1.14 -3.38 -0.81 0.00 0.00 175.30 172.09 3d6a s HIS 366 N -1.62 1.66 1.06 5.12 -3.43 -0.91 -1.93 115.29 115.24 3d6a s HIS 366 Ca 0.57 1.78 -0.16 0.00 -0.80 0.00 0.00 55.06 56.45 3d6a s HIS 366 Cb -0.23 -3.33 0.22 0.00 -1.43 0.00 0.00 32.58 27.81 3d6a s HIS 366 CO 0.29 -2.78 1.16 0.20 -2.00 0.00 0.00 174.74 171.61 3d6a s GLY 367 N -2.70 1.62 0.12 -1.38 0.00 -1.26 -2.82 107.32 100.90 3d6a s GLY 367 Ca 0.66 -0.84 -0.34 0.00 0.00 0.00 0.00 44.72 44.21 3d6a s GLY 367 CO 0.58 -0.08 1.59 -2.21 0.00 0.00 0.00 173.10 172.98 3d6a n GLU 368 N -4.26 2.05 -3.35 2.90 2.13 -1.26 -4.90 120.64 113.95 3d6a n GLU 368 Ca 0.11 0.74 -0.33 0.00 0.66 0.00 0.00 57.16 58.34 3d6a n GLU 368 Cb 0.59 -2.51 -0.06 0.00 0.27 0.00 0.00 31.44 29.74 3d6a n GLU 368 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3d6a s ARG 369 N 1.27 3.88 0.31 5.31 1.70 -1.26 -1.08 118.95 129.08 3d6a s ARG 369 Ca 0.81 0.40 0.02 0.00 -0.47 0.00 0.00 55.73 56.49 3d6a s ARG 369 Cb -0.71 -2.66 0.57 0.00 -0.57 0.00 0.00 34.95 31.58 3d6a s ARG 369 CO 0.41 0.31 1.91 -0.39 -1.08 0.00 0.00 175.30 176.45 3d6a h VAL 370 N 2.14 1.03 0.00 4.99 -1.51 -1.68 -2.52 116.25 118.70 3d6a h VAL 370 Ca -0.47 -0.34 -0.03 0.00 -1.23 0.00 0.00 66.70 64.63 3d6a h VAL 370 Cb 1.17 -0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.30 3d6a h VAL 370 CO 0.68 0.18 -0.16 -2.24 -1.23 0.00 0.00 177.57 174.79 3d6a h ASP 371 N 0.98 0.00 -0.73 4.19 2.03 -1.84 0.72 116.42 121.77 3d6a h ASP 371 Ca 0.40 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.75 3d6a h ASP 371 Cb 0.27 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.72 3d6a h ASP 371 CO -0.16 0.16 0.48 1.56 -1.03 0.00 0.00 179.24 180.26 3d6a h GLN 372 N 0.00 0.80 0.03 4.15 4.20 -1.78 -1.84 115.11 120.67 3d6a h GLN 372 Ca -0.00 -0.05 -0.30 0.00 0.06 0.00 0.00 58.65 58.36 3d6a h GLN 372 Cb 0.79 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 3d6a h GLN 372 CO 0.02 0.53 -1.65 0.28 -0.67 0.00 0.00 178.83 177.34 3d6a n VAL 373 N -4.47 1.58 1.07 -0.54 0.31 -0.90 -4.57 118.33 110.81 3d6a n VAL 373 Ca 0.10 -0.23 0.12 0.00 -0.01 0.00 0.00 64.34 64.32 3d6a n VAL 373 Cb 0.18 -1.93 0.10 0.00 -0.91 0.00 0.00 33.84 31.28 3d6a n VAL 373 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3d6a n PHE 374 N -4.17 0.00 -3.85 3.52 3.72 0.20 -5.06 117.46 111.82 3d6a n PHE 374 Ca -0.36 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3d6a n PHE 374 Cb 0.80 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 3d6a n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d6a n GLY 375 N 1.41 -2.05 0.28 1.37 0.00 -0.69 -4.19 105.19 101.32 3d6a n GLY 375 Ca 0.09 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.73 3d6a n GLY 375 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3d6a h LYS 376 N 0.00 0.24 -0.28 1.61 2.10 -1.98 -2.20 116.57 116.05 3d6a h LYS 376 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3d6a h LYS 376 Cb 0.00 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 3d6a h LYS 376 CO 0.00 0.16 0.00 -1.13 -2.00 0.00 0.00 179.45 176.48 3d6a n SER 377 N -4.51 1.34 -0.29 7.07 3.41 -1.26 -4.57 113.62 114.82 3d6a n SER 377 Ca -0.00 -2.02 0.13 0.00 -0.26 0.00 0.00 58.87 56.72 3d6a n SER 377 Cb 0.08 -0.19 0.39 0.00 -0.26 0.00 0.00 64.21 64.23 3d6a n SER 377 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3d6a h TRP 378 N 1.35 0.83 -0.08 7.33 5.08 -1.56 -1.90 115.95 127.00 3d6a h TRP 378 Ca 0.00 0.02 -0.20 0.00 1.08 0.00 0.00 58.89 59.80 3d6a h TRP 378 Cb 0.36 -0.26 -0.00 0.00 -3.00 0.00 0.00 29.16 26.26 3d6a h TRP 378 CO 0.17 0.26 -0.76 1.25 -1.28 0.00 0.00 178.44 178.08 3d6a h LEU 379 N 0.67 0.56 -1.19 0.11 5.85 -1.86 -2.78 115.31 116.66 3d6a h LEU 379 Ca 0.48 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3d6a h LEU 379 Cb 0.84 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3d6a h LEU 379 CO -0.24 1.13 -0.22 1.56 -0.34 0.00 0.00 178.44 180.34 3d6a h GLN 380 N 0.31 0.00 -0.00 1.25 7.50 -1.71 -3.01 115.11 119.44 3d6a h GLN 380 Ca -0.04 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.00 3d6a h GLN 380 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 3d6a h GLN 380 CO 0.14 0.22 -0.54 1.96 -1.50 0.00 0.00 178.83 179.11 3d6a h GLN 381 N 0.00 0.01 -0.28 1.46 4.20 -1.14 -3.27 115.11 116.09 3d6a h GLN 381 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3d6a h GLN 381 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3d6a h GLN 381 CO 0.03 0.55 0.00 0.00 -0.67 0.00 0.00 178.83 178.74 3d6a s THR 383 N -2.32 3.43 0.61 0.00 2.01 -1.15 -1.47 115.64 116.75 3d6a s THR 383 Ca 0.36 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.73 3d6a s THR 383 Cb 0.28 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 3d6a s THR 383 CO 0.10 0.50 1.02 0.42 -0.69 0.00 0.00 174.62 175.97 3d6a s THR 384 N 0.53 4.69 0.56 -0.82 -4.23 0.71 -4.88 115.64 112.20 3d6a s THR 384 Ca -0.06 0.91 0.35 0.00 -1.18 0.00 0.00 61.69 61.71 3d6a s THR 384 Cb -0.15 -3.85 0.52 0.00 1.34 0.00 0.00 72.50 70.35 3d6a s THR 384 CO 0.03 -1.09 1.76 0.00 -0.54 0.00 0.00 174.62 174.78 3d6a h ALA 385 N -0.16 2.98 -0.29 3.99 0.00 -1.98 0.77 119.26 124.58 3d6a h ALA 385 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3d6a h ALA 385 Cb 1.19 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3d6a h ALA 385 CO 0.62 -1.41 0.00 -0.40 0.00 0.00 0.00 179.25 178.06 3d6a n ASP 386 N -3.98 2.44 0.00 0.00 5.75 -1.26 -4.97 116.55 114.53 3d6a n ASP 386 Ca 0.23 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 3d6a n ASP 386 Cb 1.21 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 3d6a n ASP 386 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d6a n GLY 387 N 1.28 0.72 3.93 6.12 0.00 0.27 -5.07 105.19 112.45 3d6a n GLY 387 Ca 0.17 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3d6a n GLY 387 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d6a s LYS 388 N -0.60 3.52 0.24 1.61 -0.14 -1.25 -4.75 119.74 118.37 3d6a s LYS 388 Ca 0.00 -0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 53.99 3d6a s LYS 388 Cb 0.00 -2.80 -0.09 0.00 -1.68 0.00 0.00 37.83 33.26 3d6a s LYS 388 CO 0.00 0.36 1.07 -0.47 -0.76 0.00 0.00 175.35 175.55 3d6a s TYR 389 N -1.95 3.65 0.22 3.18 5.04 -1.26 -0.21 117.35 126.02 3d6a s TYR 389 Ca 0.39 1.71 -0.11 0.00 -2.44 0.00 0.00 57.07 56.62 3d6a s TYR 389 Cb -0.11 -3.23 -0.01 0.00 0.35 0.00 0.00 41.96 38.96 3d6a s TYR 389 CO 0.30 -0.40 0.40 1.52 -1.34 0.00 0.00 175.55 176.02 3d6a s TYR 390 N -0.91 0.41 -0.43 4.97 1.13 -0.54 -4.91 117.35 117.08 3d6a s TYR 390 Ca 0.45 -0.76 -0.10 0.00 -1.41 0.00 0.00 57.07 55.26 3d6a s TYR 390 Cb -0.30 0.07 0.08 0.00 -1.10 0.00 0.00 41.96 40.71 3d6a s TYR 390 CO 0.38 -0.88 0.28 1.03 -2.51 0.00 0.00 175.55 173.85 3d6a s ARG 391 N -4.01 2.61 0.00 -3.49 0.52 -1.26 -4.62 118.95 108.71 3d6a s ARG 391 Ca 0.22 -1.50 0.29 0.00 -0.52 0.00 0.00 55.73 54.22 3d6a s ARG 391 Cb 0.01 -3.83 1.27 0.00 0.52 0.00 0.00 34.95 32.92 3d6a s ARG 391 CO 0.06 -1.00 1.88 -0.35 0.02 0.00 0.00 175.30 175.92 3d6a n PRO 392 N 4.94 0.73 -3.80 3.54 -0.04 -1.26 -4.79 135.00 134.32 3d6a n PRO 392 Ca -0.10 -0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.00 3d6a n PRO 392 Cb 0.43 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 3d6a n PRO 392 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3d6a s ASP 393 N -2.43 -0.13 0.27 3.54 -1.08 -1.26 -5.05 116.67 110.53 3d6a s ASP 393 Ca 0.30 0.02 0.22 0.00 -0.52 0.00 0.00 52.55 52.58 3d6a s ASP 393 Cb 0.20 0.30 1.01 0.00 -1.46 0.00 0.00 42.92 42.97 3d6a s ASP 393 CO 0.46 -0.40 1.67 0.18 0.52 0.00 0.00 175.17 177.60 3d6a n LEU 394 N 1.45 0.60 0.03 -1.34 4.77 -1.26 -1.85 117.00 119.38 3d6a n LEU 394 Ca -0.21 0.69 0.14 0.00 -0.03 0.00 0.00 56.01 56.59 3d6a n LEU 394 Cb 0.56 -0.66 0.52 0.00 -2.33 0.00 0.00 43.42 41.51 3d6a n LEU 394 CO 0.21 -0.69 0.87 -3.20 -1.33 0.00 0.00 177.39 173.26 3d6a n ASN 395 N -2.21 0.25 -4.75 -1.43 5.15 -1.26 -4.62 115.26 106.39 3d6a n ASN 395 Ca 0.01 0.43 -0.41 0.00 -0.60 0.00 0.00 54.58 54.01 3d6a n ASN 395 Cb 0.15 -0.47 -0.04 0.00 -0.53 0.00 0.00 39.78 38.90 3d6a n ASN 395 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3d6a s PHE 396 N -3.03 3.41 0.83 1.20 0.40 -0.77 -0.96 117.98 119.05 3d6a s PHE 396 Ca 0.13 1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 57.89 3d6a s PHE 396 Cb 0.17 -3.42 0.09 0.00 0.51 0.00 0.00 43.02 40.37 3d6a s PHE 396 CO 0.57 -1.06 1.09 -1.25 0.70 0.00 0.00 175.22 175.27 3d6a s PRO 397 N -1.11 1.82 0.36 0.24 0.04 -1.26 -4.61 135.00 130.48 3d6a s PRO 397 Ca 0.48 1.09 0.09 0.00 0.04 0.00 0.00 61.00 62.69 3d6a s PRO 397 Cb -0.34 -1.85 0.81 0.00 0.04 0.00 0.00 34.50 33.16 3d6a s PRO 397 CO 0.42 -1.93 1.89 0.00 0.04 0.00 0.00 177.00 177.43 3d6a h ARG 398 N -1.33 0.68 -3.36 4.56 3.08 -1.95 -3.45 114.38 112.60 3d6a h ARG 398 Ca -0.46 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 3d6a h ARG 398 Cb 1.25 -0.15 -0.10 0.00 0.08 0.00 0.00 29.97 31.05 3d6a h ARG 398 CO 0.52 0.45 -0.00 -1.54 -1.07 0.00 0.00 179.97 178.32 3d6a s SER 399 N -5.88 -0.23 -0.06 7.04 1.04 -1.26 -4.95 113.70 109.40 3d6a s SER 399 Ca -0.10 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 3d6a s SER 399 Cb 0.21 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 3d6a s SER 399 CO 0.78 -1.04 0.01 -0.76 0.98 0.00 0.00 173.24 173.22 3d6a s LEU 400 N -2.88 3.62 0.49 2.42 1.43 -1.26 -5.12 118.68 117.37 3d6a s LEU 400 Ca 0.10 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.12 3d6a s LEU 400 Cb -0.01 -1.90 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 3d6a s LEU 400 CO -0.03 0.35 1.10 -2.16 0.23 0.00 0.00 176.35 175.85 3d6a s PRO 401 N -1.08 3.69 0.48 1.29 0.04 -1.26 -5.00 135.00 133.17 3d6a s PRO 401 Ca 0.15 1.55 -0.24 0.00 0.04 0.00 0.00 61.00 62.51 3d6a s PRO 401 Cb -0.11 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 3d6a s PRO 401 CO 0.05 -0.56 1.34 1.03 0.04 0.00 0.00 177.00 178.90 3d6a s ARG 402 N -3.03 3.52 0.20 4.56 1.81 -1.26 -5.02 118.95 119.73 3d6a s ARG 402 Ca 0.67 2.20 -0.08 0.00 -1.72 0.00 0.00 55.73 56.80 3d6a s ARG 402 Cb -0.22 -2.47 -0.01 0.00 -0.45 0.00 0.00 34.95 31.79 3d6a s ARG 402 CO 0.26 -0.87 0.32 0.50 -0.68 0.00 0.00 175.30 174.83 3d6a s ARG 403 N -2.63 1.31 0.05 3.54 3.52 -1.26 -4.84 118.95 118.63 3d6a s ARG 403 Ca 0.65 -1.31 -0.26 0.00 -0.13 0.00 0.00 55.73 54.68 3d6a s ARG 403 Cb -0.39 0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 33.33 3d6a s ARG 403 CO 0.48 -0.49 0.81 -1.54 -0.81 0.00 0.00 175.30 173.75 3d6a s SER 404 N -3.03 7.26 0.00 -2.12 1.04 -1.26 -3.83 113.70 111.76 3d6a s SER 404 Ca 0.24 1.51 0.00 0.00 0.48 0.00 0.00 55.95 58.19 3d6a s SER 404 Cb 0.03 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.65 3d6a s SER 404 CO 0.06 -0.03 0.00 0.59 0.98 0.00 0.00 173.24 174.84 3d6a n ASN 405 N 2.94 -2.81 0.00 7.02 5.03 -1.26 -4.61 115.26 121.57 3d6a n ASN 405 Ca -0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.44 3d6a n ASN 405 Cb 0.50 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 3d6a n ASN 405 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d6a n GLY 406 N -2.94 0.39 0.08 7.41 0.00 -1.25 -3.49 105.19 105.40 3d6a n GLY 406 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.23 3d6a n GLY 406 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3d6a n ILE 407 N 0.00 1.23 0.24 -0.61 3.06 -1.26 -3.68 119.36 118.33 3d6a n ILE 407 Ca 0.00 0.46 0.13 0.00 -2.50 0.00 0.00 62.75 60.84 3d6a n ILE 407 Cb 0.00 -1.40 0.38 0.00 0.54 0.00 0.00 39.64 39.17 3d6a n ILE 407 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 3d6a h LYS 408 N 0.00 0.00 -0.00 9.51 1.57 -1.91 -3.13 116.57 122.61 3d6a h LYS 408 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d6a h LYS 408 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3d6a h LYS 408 CO 0.00 0.05 -0.22 -0.25 -0.57 0.00 0.00 179.45 178.45 3d6a n ASP 409 N -3.13 0.58 0.00 0.86 9.92 -1.24 -3.60 116.55 119.94 3d6a n ASP 409 Ca 0.02 -0.48 0.04 0.00 -0.53 0.00 0.00 54.79 53.84 3d6a n ASP 409 Cb 0.45 0.01 0.17 0.00 -0.64 0.00 0.00 41.12 41.11 3d6a n ASP 409 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3d6a n PHE 410 N -1.04 0.00 -0.14 1.24 3.72 -1.18 -3.85 117.46 116.20 3d6a n PHE 410 Ca 0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.45 3d6a n PHE 410 Cb 0.32 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 3d6a n PHE 410 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3d6a h GLU 411 N 0.00 -0.19 -0.25 -1.08 4.81 -1.81 -1.96 114.58 114.10 3d6a h GLU 411 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3d6a h GLU 411 Cb 0.10 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3d6a h GLU 411 CO 0.00 -0.12 -0.00 0.09 -0.73 0.00 0.00 179.01 178.25 3d6a n ASN 412 N -5.42 3.77 -3.15 1.04 3.02 -1.25 -4.67 115.26 108.60 3d6a n ASN 412 Ca 0.02 -3.06 -0.22 0.00 -0.03 0.00 0.00 54.58 51.30 3d6a n ASN 412 Cb 0.33 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 3d6a n ASN 412 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3d6a n ASP 413 N -0.58 -0.03 -4.80 6.41 2.03 -0.74 -4.95 116.55 113.89 3d6a n ASP 413 Ca 0.22 -2.77 -0.34 0.00 0.52 0.00 0.00 54.79 52.41 3d6a n ASP 413 Cb 0.89 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 3d6a n ASP 413 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3d6a s PRO 414 N -1.13 3.79 0.77 -0.67 0.04 -1.19 -4.66 135.00 131.95 3d6a s PRO 414 Ca 0.35 1.38 -0.09 0.00 0.04 0.00 0.00 61.00 62.67 3d6a s PRO 414 Cb 0.19 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.72 3d6a s PRO 414 CO -0.12 -0.45 1.10 -1.25 0.04 0.00 0.00 177.00 176.33 3d6a s PRO 415 N -3.22 1.92 0.48 0.56 0.04 -1.26 -3.65 135.00 129.86 3d6a s PRO 415 Ca 0.67 -0.18 -0.24 0.00 0.04 0.00 0.00 61.00 61.29 3d6a s PRO 415 Cb -0.17 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 3d6a s PRO 415 CO 0.20 -1.50 1.38 -0.51 0.04 0.00 0.00 177.00 176.61 3d6a s LEU 416 N -5.43 4.04 0.99 -3.56 1.02 -1.26 -2.13 118.68 112.34 3d6a s LEU 416 Ca 0.63 2.81 -0.14 0.00 0.02 0.00 0.00 54.13 57.44 3d6a s LEU 416 Cb -0.10 -4.05 0.18 0.00 0.02 0.00 0.00 46.19 42.24 3d6a s LEU 416 CO 0.47 -1.25 1.15 -0.94 0.02 0.00 0.00 176.35 175.80 3d6a s SER 417 N -0.72 2.81 0.41 2.29 1.04 -0.24 -4.51 113.70 114.78 3d6a s SER 417 Ca 0.64 0.85 0.08 0.00 0.48 0.00 0.00 55.95 57.99 3d6a s SER 417 Cb -0.41 -1.31 0.87 0.00 0.10 0.00 0.00 66.02 65.27 3d6a s SER 417 CO 0.52 -2.98 2.05 0.28 0.98 0.00 0.00 173.24 174.09 3d6a h SER 418 N -1.79 0.43 -0.28 7.02 0.02 -1.30 -2.31 113.55 115.34 3d6a h SER 418 Ca -0.49 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.31 3d6a h SER 418 Cb 1.31 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3d6a h SER 418 CO 0.53 0.33 -0.29 0.00 -1.14 0.00 0.00 176.83 176.26 3d6a h GLY 420 N 0.94 0.17 0.71 0.00 0.00 -1.56 -0.43 103.07 102.90 3d6a h GLY 420 Ca 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3d6a h GLY 420 CO 0.07 0.13 -0.04 -2.22 0.00 0.00 0.00 176.54 174.49 3d6a h ILE 421 N 0.14 1.30 -0.39 2.60 2.04 -1.35 -2.02 117.51 119.82 3d6a h ILE 421 Ca 0.02 -1.01 0.08 0.00 1.00 0.00 0.00 64.86 64.94 3d6a h ILE 421 Cb 0.69 1.76 -0.08 0.00 -0.74 0.00 0.00 36.82 38.45 3d6a h ILE 421 CO 0.05 0.29 -0.11 0.15 0.00 0.00 0.00 178.15 178.53 3d6a h PHE 422 N -0.12 -0.24 -0.32 1.37 3.57 -1.12 0.39 116.94 120.46 3d6a h PHE 422 Ca 0.03 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3d6a h PHE 422 Cb 0.47 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 3d6a h PHE 422 CO 0.06 -0.18 0.14 1.96 -2.23 0.00 0.00 178.31 178.06 3d6a h GLN 423 N -0.02 0.29 -0.34 1.11 4.20 -1.04 0.18 115.11 119.50 3d6a h GLN 423 Ca 0.19 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 3d6a h GLN 423 Cb 0.31 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3d6a h GLN 423 CO -0.41 0.19 0.20 0.00 -0.67 0.00 0.00 178.83 178.14 3d6a h ALA 424 N 1.18 0.44 -0.67 3.87 0.00 -0.99 -1.80 119.26 121.29 3d6a h ALA 424 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3d6a h ALA 424 Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3d6a h ALA 424 CO -0.11 -0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.32 3d6a h ARG 425 N 0.44 1.01 -0.44 0.00 3.08 -0.69 -1.66 114.38 116.13 3d6a h ARG 425 Ca 0.12 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 3d6a h ARG 425 Cb 0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3d6a h ARG 425 CO -0.02 0.84 -0.11 1.25 -1.07 0.00 0.00 179.97 180.86 3d6a h LEU 426 N 0.98 0.78 -0.36 3.04 5.85 -0.37 -0.89 115.31 124.34 3d6a h LEU 426 Ca 0.22 -0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 3d6a h LEU 426 Cb 0.24 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3d6a h LEU 426 CO -0.01 0.91 -0.56 0.00 -0.34 0.00 0.00 178.44 178.44 3d6a h ALA 427 N 1.16 0.53 -0.57 1.25 0.00 -1.18 -1.78 119.26 118.67 3d6a h ALA 427 Ca 0.12 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3d6a h ALA 427 Cb 0.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3d6a h ALA 427 CO 0.04 0.69 0.12 0.78 0.00 0.00 0.00 179.25 180.87 3d6a h GLY 428 N 0.81 1.00 1.01 0.00 0.00 -1.14 -1.41 103.07 103.35 3d6a h GLY 428 Ca 0.01 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.70 3d6a h GLY 428 CO 0.12 0.60 0.62 -2.09 0.00 0.00 0.00 176.54 175.79 3d6a h GLU 429 N 0.83 1.26 -0.49 4.80 4.81 -1.15 -0.63 114.58 124.00 3d6a h GLU 429 Ca 0.18 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3d6a h GLU 429 Cb 0.38 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3d6a h GLU 429 CO 0.01 0.84 -0.04 0.00 -0.73 0.00 0.00 179.01 179.09 3d6a h ALA 430 N 1.34 0.67 -0.42 2.92 0.00 -1.21 -1.40 119.26 121.16 3d6a h ALA 430 Ca 0.35 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3d6a h ALA 430 Cb -0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3d6a h ALA 430 CO -0.07 0.51 0.21 -0.07 0.00 0.00 0.00 179.25 179.82 3d6a h LEU 431 N 0.75 0.29 -0.27 0.00 3.38 -1.01 -0.96 115.31 117.50 3d6a h LEU 431 Ca 0.13 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3d6a h LEU 431 Cb 0.57 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 3d6a h LEU 431 CO 0.03 0.21 -0.15 0.25 0.09 0.00 0.00 178.44 178.88 3d6a h LEU 432 N 0.41 -0.49 -1.86 1.67 5.85 -0.95 -2.36 115.31 117.59 3d6a h LEU 432 Ca 0.18 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.05 3d6a h LEU 432 Cb 0.10 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3d6a h LEU 432 CO -0.13 -0.18 0.17 0.44 -0.34 0.00 0.00 178.44 178.39 3d6a h ASP 433 N -0.12 0.16 1.01 1.25 3.32 -0.84 -2.73 116.42 118.47 3d6a h ASP 433 Ca 0.14 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3d6a h ASP 433 Cb 0.33 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3d6a h ASP 433 CO -0.34 0.11 -0.03 0.77 -1.72 0.00 0.00 179.24 178.02 3d6a h SER 434 N 0.19 0.00 0.00 6.45 4.64 -0.62 -3.47 113.55 120.74 3d6a h SER 434 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3d6a h SER 434 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3d6a h SER 434 CO -0.02 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3d6a n GLY 435 N 0.05 1.31 3.77 -0.77 0.00 -1.03 -5.03 105.19 103.49 3d6a n GLY 435 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3d6a n GLY 435 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d6a s VAL 436 N -3.27 3.04 -0.27 1.61 -7.23 -1.26 -4.98 120.40 108.03 3d6a s VAL 436 Ca 0.00 0.81 -0.22 0.00 -1.81 0.00 0.00 61.98 60.77 3d6a s VAL 436 Cb 0.00 -3.43 -0.01 0.00 0.56 0.00 0.00 36.38 33.50 3d6a s VAL 436 CO 0.00 0.02 0.70 -0.60 -0.31 0.00 0.00 175.10 174.91 3d6a s ARG 437 N -2.57 4.05 -0.23 4.82 3.52 -1.26 -4.92 118.95 122.36 3d6a s ARG 437 Ca 0.62 0.58 -0.09 0.00 -0.13 0.00 0.00 55.73 56.71 3d6a s ARG 437 Cb -0.30 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.36 3d6a s ARG 437 CO 0.37 -0.52 0.10 0.08 -0.81 0.00 0.00 175.30 174.52 3d6a s VAL 438 N 2.69 4.84 -0.02 7.11 1.01 -1.26 -0.02 120.40 134.74 3d6a s VAL 438 Ca 0.29 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.36 3d6a s VAL 438 Cb -0.15 -3.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.85 3d6a s VAL 438 CO 0.10 0.37 0.21 0.35 0.00 0.00 0.00 175.10 176.12 3d6a n THR 439 N 4.33 0.00 -3.51 3.92 -2.24 0.49 -4.87 114.28 112.39 3d6a n THR 439 Ca -0.16 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 3d6a n THR 439 Cb 0.52 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 69.01 3d6a n THR 439 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d6a s ALA 440 N -2.63 -1.52 -0.04 6.98 0.00 -1.24 -5.02 121.76 118.30 3d6a s ALA 440 Ca -0.03 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 3d6a s ALA 440 Cb 0.06 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.67 3d6a s ALA 440 CO 0.38 -0.56 0.03 0.08 0.00 0.00 0.00 175.76 175.70 3d6a s VAL 441 N -2.60 0.01 -0.04 0.00 1.01 -1.26 -1.11 120.40 116.41 3d6a s VAL 441 Ca -0.04 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3d6a s VAL 441 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 3d6a s VAL 441 CO -0.03 0.16 -0.17 -0.36 0.00 0.00 0.00 175.10 174.70 3d6a s PHE 442 N 1.65 2.61 0.02 5.22 0.40 0.73 -1.35 117.98 127.26 3d6a s PHE 442 Ca -0.01 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.13 3d6a s PHE 442 Cb -0.13 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 3d6a s PHE 442 CO -0.03 0.13 -0.12 0.00 0.70 0.00 0.00 175.22 175.90 3d6a s ALA 443 N -0.71 1.00 0.46 5.36 0.00 0.03 -0.71 121.76 127.19 3d6a s ALA 443 Ca 0.11 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.15 3d6a s ALA 443 Cb -0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 3d6a s ALA 443 CO 0.00 0.20 1.34 0.45 0.00 0.00 0.00 175.76 177.75 3d6a n SER 444 N 2.23 2.85 0.12 0.00 2.88 -0.24 -0.14 113.62 121.31 3d6a n SER 444 Ca -0.17 1.09 0.09 0.00 -1.33 0.00 0.00 58.87 58.55 3d6a n SER 444 Cb 0.55 -1.55 0.45 0.00 -0.75 0.00 0.00 64.21 62.91 3d6a n SER 444 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3d6a n PRO 445 N -0.23 0.12 -1.73 -1.46 -0.04 -1.26 -3.94 135.00 126.46 3d6a n PRO 445 Ca 0.07 0.53 -0.42 0.00 -0.04 0.00 0.00 63.50 63.64 3d6a n PRO 445 Cb 0.41 -1.83 -0.02 0.00 -0.04 0.00 0.00 33.50 32.02 3d6a n PRO 445 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d6a n ALA 446 N -1.71 2.65 -0.23 0.55 0.00 -1.26 -4.69 120.51 115.82 3d6a n ALA 446 Ca 0.00 0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.86 3d6a n ALA 446 Cb 0.09 -2.49 0.13 0.00 0.00 0.00 0.00 19.45 17.18 3d6a n ALA 446 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3d6a h LEU 447 N 5.83 -0.27 -1.75 0.00 5.85 -1.85 0.16 115.31 123.29 3d6a h LEU 447 Ca -0.45 0.17 0.15 0.00 0.84 0.00 0.00 57.88 58.59 3d6a h LEU 447 Cb 1.21 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 3d6a h LEU 447 CO 0.88 -0.13 0.45 0.08 -0.34 0.00 0.00 178.44 179.38 3d6a h ARG 448 N 0.13 0.24 0.16 1.25 0.11 -1.90 -0.92 114.38 113.45 3d6a h ARG 448 Ca 0.37 -0.01 -0.21 0.00 0.10 0.00 0.00 59.98 60.22 3d6a h ARG 448 Cb 0.62 -0.06 0.02 0.00 1.11 0.00 0.00 29.97 31.67 3d6a h ARG 448 CO -0.58 0.16 -0.94 0.00 0.10 0.00 0.00 179.97 178.71 3d6a h VAL 450 N -0.30 1.25 -0.54 0.00 2.07 -1.03 -1.65 116.25 116.05 3d6a h VAL 450 Ca -0.17 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 3d6a h VAL 450 Cb 1.72 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3d6a h VAL 450 CO 0.16 0.33 0.14 1.56 0.02 0.00 0.00 177.57 179.79 3d6a h GLN 451 N 1.02 0.85 -0.35 1.57 4.20 -1.27 0.58 115.11 121.71 3d6a h GLN 451 Ca 0.23 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3d6a h GLN 451 Cb 0.27 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3d6a h GLN 451 CO -0.01 0.79 0.22 1.15 -0.67 0.00 0.00 178.83 180.31 3d6a h THR 452 N 0.75 1.11 -0.29 -0.54 2.02 -1.17 -1.47 112.91 113.31 3d6a h THR 452 Ca 0.17 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.14 3d6a h THR 452 Cb 0.32 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3d6a h THR 452 CO -0.00 0.11 0.14 0.00 0.37 0.00 0.00 175.52 176.13 3d6a h ALA 453 N 1.10 0.35 -0.05 6.16 0.00 -1.16 -1.00 119.26 124.67 3d6a h ALA 453 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3d6a h ALA 453 Cb -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3d6a h ALA 453 CO -0.03 -0.25 -0.16 -0.22 0.00 0.00 0.00 179.25 178.60 3d6a h LYS 454 N 0.30 -0.22 -0.37 0.00 3.64 -0.61 -0.89 116.57 118.41 3d6a h LYS 454 Ca 0.12 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 3d6a h LYS 454 Cb 0.05 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3d6a h LYS 454 CO -0.09 -0.15 -0.02 0.45 -2.27 0.00 0.00 179.45 177.37 3d6a h HIS 455 N -0.23 0.62 0.06 1.91 3.86 -1.15 -0.50 115.15 119.72 3d6a h HIS 455 Ca 0.07 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3d6a h HIS 455 Cb 0.33 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3d6a h HIS 455 CO -0.23 0.61 -0.03 0.82 0.86 0.00 0.00 177.93 179.96 3d6a h ILE 456 N 0.56 1.07 -0.95 2.45 2.04 -0.93 -2.96 117.51 118.79 3d6a h ILE 456 Ca 0.12 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3d6a h ILE 456 Cb 0.39 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 3d6a h ILE 456 CO 0.02 0.11 0.60 -0.07 0.00 0.00 0.00 178.15 178.81 3d6a h LEU 457 N -0.28 1.11 -0.79 1.44 3.38 -0.93 -1.34 115.31 117.92 3d6a h LEU 457 Ca -0.01 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3d6a h LEU 457 Cb 0.24 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3d6a h LEU 457 CO 0.01 0.83 0.47 -0.33 0.09 0.00 0.00 178.44 179.51 3d6a h GLU 458 N 1.30 0.84 0.00 1.13 5.08 -1.10 -0.76 114.58 121.06 3d6a h GLU 458 Ca 0.34 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3d6a h GLU 458 Cb -0.11 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 3d6a h GLU 458 CO -0.07 0.56 -0.03 0.93 -1.00 0.00 0.00 179.01 179.39 3d6a h GLU 459 N 0.86 0.00 0.00 2.33 4.39 -1.31 -2.60 114.58 118.25 3d6a h GLU 459 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3d6a h GLU 459 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3d6a h GLU 459 CO -0.17 0.03 0.00 -0.07 -1.16 0.00 0.00 179.01 177.64 3d6a h LEU 460 N 0.00 0.00 0.48 1.33 -0.00 -0.62 -3.39 115.31 113.12 3d6a h LEU 460 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.71 3d6a h LEU 460 Cb 0.92 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.59 3d6a h LEU 460 CO 0.00 0.00 -0.24 0.29 -0.00 0.00 0.00 178.44 178.50 3d6a n LYS 461 N -2.91 -1.53 0.00 1.13 5.02 -0.56 -4.93 118.16 114.38 3d6a n LYS 461 Ca 0.03 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3d6a n LYS 461 Cb 0.40 -4.21 0.00 0.00 -0.02 0.00 0.00 35.03 31.21 3d6a n LYS 461 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3d6a n LEU 462 N -1.59 1.43 0.26 -0.35 4.77 -0.40 -4.76 117.00 116.37 3d6a n LEU 462 Ca -0.07 -1.43 0.10 0.00 -0.03 0.00 0.00 56.01 54.59 3d6a n LEU 462 Cb 0.56 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.37 3d6a n LEU 462 CO 0.17 0.36 1.09 1.05 -1.33 0.00 0.00 177.39 178.72 3d6a h GLU 463 N 0.00 0.00 0.01 3.23 9.09 -1.81 -0.42 114.58 124.68 3d6a h GLU 463 Ca 0.00 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.13 3d6a h GLU 463 Cb 0.60 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.65 3d6a h GLU 463 CO 0.00 0.00 -1.57 0.87 0.05 0.00 0.00 179.01 178.36 3d6a h LYS 464 N 0.00 0.02 0.13 1.06 1.57 -1.91 -3.39 116.57 114.04 3d6a h LYS 464 Ca 0.01 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 3d6a h LYS 464 Cb 0.04 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3d6a h LYS 464 CO -0.00 0.64 -1.54 -0.22 -0.57 0.00 0.00 179.45 177.75 3d6a h LYS 465 N 0.00 0.27 -5.65 3.15 3.64 -1.64 -3.45 116.57 112.90 3d6a h LYS 465 Ca -0.23 -0.47 -0.67 0.00 -1.27 0.00 0.00 60.65 58.01 3d6a h LYS 465 Cb 1.97 0.17 -0.27 0.00 -0.41 0.00 0.00 32.23 33.69 3d6a h LYS 465 CO 0.09 1.15 -0.79 -0.51 -2.27 0.00 0.00 179.45 177.12 3d6a s LEU 466 N -7.04 2.59 0.03 5.20 1.43 -0.26 -5.11 118.68 115.53 3d6a s LEU 466 Ca -0.10 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 3d6a s LEU 466 Cb 0.07 -1.55 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 3d6a s LEU 466 CO 0.86 0.22 0.42 -0.54 0.23 0.00 0.00 176.35 177.53 3d6a s LYS 467 N 0.02 3.89 -0.19 1.70 1.02 -1.26 -4.71 119.74 120.20 3d6a s LYS 467 Ca -0.05 0.36 -0.29 0.00 0.02 0.00 0.00 55.97 56.01 3d6a s LYS 467 Cb -0.15 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 3d6a s LYS 467 CO 0.05 0.65 1.08 0.42 -0.92 0.00 0.00 175.35 176.62 3d6a s ILE 468 N -1.18 4.61 -0.29 2.17 1.01 -0.41 -4.48 121.20 122.63 3d6a s ILE 468 Ca 0.27 1.93 -0.21 0.00 0.00 0.00 0.00 60.65 62.64 3d6a s ILE 468 Cb -0.16 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 3d6a s ILE 468 CO 0.15 -0.13 0.67 -0.13 0.00 0.00 0.00 174.94 175.50 3d6a s ARG 469 N 3.00 3.96 -0.24 2.79 0.52 -0.46 -0.56 118.95 127.98 3d6a s ARG 469 Ca 0.47 0.43 -0.23 0.00 -0.52 0.00 0.00 55.73 55.88 3d6a s ARG 469 Cb -0.17 -3.71 -0.01 0.00 0.52 0.00 0.00 34.95 31.58 3d6a s ARG 469 CO 0.10 -0.56 0.76 0.08 0.02 0.00 0.00 175.30 175.70 3d6a s VAL 470 N 2.67 4.90 -0.41 3.52 1.01 -1.26 -0.79 120.40 130.03 3d6a s VAL 470 Ca 0.27 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.70 3d6a s VAL 470 Cb -0.15 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.30 3d6a s VAL 470 CO 0.11 -0.02 0.16 -0.70 0.00 0.00 0.00 175.10 174.65 3d6a s GLU 471 N 2.62 1.45 0.60 2.72 2.56 0.80 -4.70 118.70 124.75 3d6a s GLU 471 Ca 0.32 -1.99 0.34 0.00 0.00 0.00 0.00 54.97 53.64 3d6a s GLU 471 Cb -0.15 -2.83 1.87 0.00 2.00 0.00 0.00 34.13 35.01 3d6a s GLU 471 CO 0.08 -1.05 2.05 -1.35 -0.56 0.00 0.00 175.26 174.43 3d6a h PRO 472 N 7.16 0.00 0.00 4.30 0.11 -1.82 -1.41 132.00 140.35 3d6a h PRO 472 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3d6a h PRO 472 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3d6a h PRO 472 CO 0.55 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 3d6a n GLY 473 N -1.17 -1.05 0.50 -0.55 0.00 -1.22 -1.91 105.19 99.78 3d6a n GLY 473 Ca -0.02 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.22 3d6a n GLY 473 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3d6a n ILE 474 N -2.21 2.10 -1.47 -0.61 -5.35 -0.53 -4.13 119.36 107.17 3d6a n ILE 474 Ca 0.00 -2.11 -0.32 0.00 -0.27 0.00 0.00 62.75 60.06 3d6a n ILE 474 Cb 0.13 -0.25 0.07 0.00 -1.74 0.00 0.00 39.64 37.85 3d6a n ILE 474 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3d6a s PHE 475 N -2.87 2.65 0.61 4.28 5.36 -0.80 -4.56 117.98 122.65 3d6a s PHE 475 Ca 0.37 1.54 -0.18 0.00 -0.96 0.00 0.00 56.93 57.71 3d6a s PHE 475 Cb 0.31 -3.07 -0.09 0.00 -0.34 0.00 0.00 43.02 39.84 3d6a s PHE 475 CO 0.06 -1.69 0.40 -1.91 -1.46 0.00 0.00 175.22 170.62 3d6a n GLU 476 N -3.09 0.38 -1.69 10.12 4.07 -1.26 -4.91 120.64 124.27 3d6a n GLU 476 Ca 0.09 0.15 -0.44 0.00 -0.06 0.00 0.00 57.16 56.90 3d6a n GLU 476 Cb 0.53 -1.61 -0.04 0.00 -0.06 0.00 0.00 31.44 30.26 3d6a n GLU 476 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 3d6a n TRP 477 N -1.84 2.48 0.26 4.31 -0.00 -1.26 -4.86 117.44 116.52 3d6a n TRP 477 Ca 0.10 0.07 0.14 0.00 -0.00 0.00 0.00 57.50 57.80 3d6a n TRP 477 Cb 0.48 -2.64 0.82 0.00 -0.00 0.00 0.00 31.31 29.97 3d6a n TRP 477 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.69 178.21 3d6a h MET 478 N 7.30 0.00 -0.96 5.87 2.86 -1.87 -1.28 114.93 126.85 3d6a h MET 478 Ca -0.45 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.41 3d6a h MET 478 Cb 1.24 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.78 3d6a h MET 478 CO 0.93 0.00 0.53 -0.22 1.06 0.00 0.00 176.91 179.20 3d6a h LYS 479 N 0.00 0.53 -0.42 1.72 1.63 -1.81 -1.90 116.57 116.32 3d6a h LYS 479 Ca 0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3d6a h LYS 479 Cb 0.10 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3d6a h LYS 479 CO -0.00 0.35 0.00 0.91 -3.45 0.00 0.00 179.45 177.26 3d6a n TRP 480 N -4.92 0.55 -4.38 1.91 8.01 -0.48 -4.92 117.44 113.20 3d6a n TRP 480 Ca 0.25 -0.28 -0.25 0.00 -1.31 0.00 0.00 57.50 55.91 3d6a n TRP 480 Cb 0.68 0.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.87 3d6a n TRP 480 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 3d6a s GLU 481 N -1.45 1.41 0.49 -0.99 0.41 -0.72 -5.06 118.70 112.80 3d6a s GLU 481 Ca 0.38 -1.46 -0.23 0.00 -0.41 0.00 0.00 54.97 53.25 3d6a s GLU 481 Cb 0.21 -1.63 -0.07 0.00 -1.78 0.00 0.00 34.13 30.86 3d6a s GLU 481 CO 0.30 0.35 1.29 0.00 -0.49 0.00 0.00 175.26 176.70 3d6a n ALA 482 N 0.31 1.38 -0.06 5.21 0.00 -1.26 -4.90 120.51 121.20 3d6a n ALA 482 Ca -0.13 0.19 0.01 0.00 0.00 0.00 0.00 53.44 53.50 3d6a n ALA 482 Cb 0.56 -2.30 0.31 0.00 0.00 0.00 0.00 19.45 18.02 3d6a n ALA 482 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3d6a h SER 483 N 1.71 0.59 -0.35 0.00 0.02 -1.94 -2.60 113.55 110.98 3d6a h SER 483 Ca -0.49 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3d6a h SER 483 Cb 1.30 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3d6a h SER 483 CO 0.58 0.54 0.00 2.29 -1.14 0.00 0.00 176.83 179.10 3d6a n LYS 484 N -4.36 1.90 0.02 3.45 2.85 -1.26 -4.18 118.16 116.57 3d6a n LYS 484 Ca 0.03 -1.31 -0.06 0.00 -1.05 0.00 0.00 58.31 55.93 3d6a n LYS 484 Cb 0.15 -1.32 0.14 0.00 -0.65 0.00 0.00 35.03 33.35 3d6a n LYS 484 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3d6a h ALA 485 N 3.61 0.94 -0.83 0.58 0.00 -1.83 -2.46 119.26 119.27 3d6a h ALA 485 Ca 0.00 -0.42 0.23 0.00 0.00 0.00 0.00 54.91 54.72 3d6a h ALA 485 Cb 0.53 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3d6a h ALA 485 CO 0.02 0.62 0.59 1.79 0.00 0.00 0.00 179.25 182.26 3d6a h THR 486 N 0.41 0.61 -0.02 0.00 1.35 -1.80 0.69 112.91 114.15 3d6a h THR 486 Ca 0.04 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3d6a h THR 486 Cb 0.85 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3d6a h THR 486 CO 0.07 0.01 -0.10 0.18 -0.25 0.00 0.00 175.52 175.44 3d6a n LEU 487 N -4.34 2.18 0.04 3.87 4.77 -0.95 -4.23 117.00 118.34 3d6a n LEU 487 Ca 0.17 -0.73 0.02 0.00 -0.03 0.00 0.00 56.01 55.45 3d6a n LEU 487 Cb 0.85 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.85 3d6a n LEU 487 CO 0.37 0.37 -0.31 1.07 -1.33 0.00 0.00 177.39 177.56 3d6a n THR 488 N 0.57 1.01 -1.70 -5.08 5.66 0.23 -4.99 114.28 109.98 3d6a n THR 488 Ca 0.15 -0.66 -0.41 0.00 -3.05 0.00 0.00 64.05 60.07 3d6a n THR 488 Cb 0.48 -0.60 0.01 0.00 -1.55 0.00 0.00 70.33 68.66 3d6a n THR 488 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3d6a n PHE 489 N -2.80 2.18 -1.83 1.09 3.72 -1.19 -4.93 117.46 113.70 3d6a n PHE 489 Ca -0.09 0.51 -0.41 0.00 -0.05 0.00 0.00 57.45 57.41 3d6a n PHE 489 Cb 0.78 -2.39 -0.01 0.00 -0.94 0.00 0.00 39.48 36.92 3d6a n PHE 489 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3d6a s LEU 490 N -1.50 4.34 0.90 4.37 1.02 -1.26 -5.00 118.68 121.56 3d6a s LEU 490 Ca 0.59 2.94 -0.12 0.00 0.02 0.00 0.00 54.13 57.56 3d6a s LEU 490 Cb -0.52 -3.65 0.13 0.00 0.02 0.00 0.00 46.19 42.17 3d6a s LEU 490 CO 0.59 -0.86 1.10 0.42 0.02 0.00 0.00 176.35 177.62 3d6a s THR 491 N -0.42 2.55 0.36 5.49 -4.23 -1.26 -4.84 115.64 113.28 3d6a s THR 491 Ca 0.59 0.18 0.17 0.00 -1.18 0.00 0.00 61.69 61.45 3d6a s THR 491 Cb -0.46 -2.75 0.16 0.00 1.34 0.00 0.00 72.50 70.79 3d6a s THR 491 CO 0.53 -0.23 1.89 -0.07 -0.54 0.00 0.00 174.62 176.19 3d6a h LEU 492 N -1.52 0.00 -0.09 4.79 3.38 -1.99 -1.62 115.31 118.26 3d6a h LEU 492 Ca -0.50 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 3d6a h LEU 492 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3d6a h LEU 492 CO 0.57 0.29 -0.37 -0.33 0.09 0.00 0.00 178.44 178.69 3d6a h GLU 493 N 0.00 0.41 -0.51 1.13 4.39 -1.98 -0.74 114.58 117.27 3d6a h GLU 493 Ca -0.00 -0.32 0.07 0.00 0.34 0.00 0.00 59.36 59.45 3d6a h GLU 493 Cb 0.58 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.23 3d6a h GLU 493 CO 0.04 0.95 0.18 0.93 -1.16 0.00 0.00 179.01 179.94 3d6a h GLU 494 N -0.04 0.34 -0.22 2.33 5.08 -1.86 0.28 114.58 120.48 3d6a h GLU 494 Ca -0.02 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3d6a h GLU 494 Cb 1.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3d6a h GLU 494 CO 0.08 0.23 0.11 -0.07 -1.00 0.00 0.00 179.01 178.35 3d6a h LEU 495 N 0.35 0.17 -0.59 1.33 3.38 -1.30 -1.17 115.31 117.47 3d6a h LEU 495 Ca 0.25 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.30 3d6a h LEU 495 Cb 0.28 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3d6a h LEU 495 CO -0.26 0.13 0.27 0.50 0.09 0.00 0.00 178.44 179.18 3d6a h LYS 496 N 0.24 0.49 0.00 1.13 3.64 -0.29 -0.51 116.57 121.27 3d6a h LYS 496 Ca 0.09 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3d6a h LYS 496 Cb 0.02 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3d6a h LYS 496 CO -0.06 0.32 -0.17 0.93 -2.27 0.00 0.00 179.45 178.20 3d6a h GLU 497 N 0.50 0.00 -0.20 1.90 4.39 -0.24 -1.97 114.58 118.97 3d6a h GLU 497 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3d6a h GLU 497 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3d6a h GLU 497 CO -0.23 0.17 0.00 0.00 -1.16 0.00 0.00 179.01 177.79 3d6a n ALA 498 N -2.31 2.50 -1.53 3.43 0.00 -0.47 -4.91 120.51 117.22 3d6a n ALA 498 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3d6a n ALA 498 Cb 0.29 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3d6a n ALA 498 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3d6a n ASN 499 N 0.27 -0.96 -4.45 0.00 5.15 -0.74 -5.04 115.26 109.48 3d6a n ASN 499 Ca 0.14 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.73 3d6a n ASN 499 Cb 0.28 -0.40 -0.11 0.00 -0.53 0.00 0.00 39.78 39.02 3d6a n ASN 499 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3d6a s PHE 500 N -2.00 3.19 -0.93 1.20 0.40 -0.31 -5.00 117.98 114.53 3d6a s PHE 500 Ca 0.00 -0.53 -0.20 0.00 -0.60 0.00 0.00 56.93 55.60 3d6a s PHE 500 Cb 0.00 -2.39 -0.11 0.00 0.51 0.00 0.00 43.02 41.03 3d6a s PHE 500 CO 0.00 -0.45 1.99 -1.71 0.70 0.00 0.00 175.22 175.75 3d6a n ASN 501 N 5.01 2.83 -4.78 1.36 5.15 -1.26 -3.72 115.26 119.85 3d6a n ASN 501 Ca -0.13 -2.72 -0.39 0.00 -0.60 0.00 0.00 54.58 50.74 3d6a n ASN 501 Cb 0.49 -1.25 -0.06 0.00 -0.53 0.00 0.00 39.78 38.43 3d6a n ASN 501 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3d6a s VAL 502 N 4.80 4.44 -0.73 3.44 1.01 -1.26 -1.28 120.40 130.82 3d6a s VAL 502 Ca 0.56 1.65 -0.26 0.00 0.00 0.00 0.00 61.98 63.93 3d6a s VAL 502 Cb 0.14 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3d6a s VAL 502 CO 0.08 0.51 1.61 -0.62 0.00 0.00 0.00 175.10 176.68 3d6a s ASP 503 N -1.02 5.71 0.51 3.32 -1.08 0.28 -4.80 116.67 119.58 3d6a s ASP 503 Ca 0.35 -0.24 0.28 0.00 -0.52 0.00 0.00 52.55 52.43 3d6a s ASP 503 Cb -0.22 -2.55 1.32 0.00 -1.46 0.00 0.00 42.92 40.01 3d6a s ASP 503 CO 0.25 -2.13 1.99 -0.07 0.52 0.00 0.00 175.17 175.73 3d6a h LEU 504 N 14.97 0.00 0.00 -1.34 3.38 -1.94 -2.77 115.31 127.61 3d6a h LEU 504 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3d6a h LEU 504 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3d6a h LEU 504 CO 1.26 0.13 -0.57 0.47 0.09 0.00 0.00 178.44 179.82 3d6a n ASP 505 N -3.43 0.55 -4.73 -0.43 8.00 -1.26 -4.93 116.55 110.31 3d6a n ASP 505 Ca -0.01 -0.12 -0.42 0.00 0.71 0.00 0.00 54.79 54.95 3d6a n ASP 505 Cb 0.30 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 3d6a n ASP 505 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3d6a s TYR 506 N -3.06 2.95 -0.43 1.24 5.04 -1.05 -4.98 117.35 117.06 3d6a s TYR 506 Ca 0.09 0.72 -0.11 0.00 -2.44 0.00 0.00 57.07 55.33 3d6a s TYR 506 Cb 0.16 -3.97 0.07 0.00 0.35 0.00 0.00 41.96 38.57 3d6a s TYR 506 CO 0.71 -3.42 0.30 1.03 -1.34 0.00 0.00 175.55 172.83 3d6a s ARG 507 N 0.33 2.75 0.66 4.97 0.52 -1.26 -5.00 118.95 121.91 3d6a s ARG 507 Ca 0.66 -1.39 -0.17 0.00 -0.52 0.00 0.00 55.73 54.31 3d6a s ARG 507 Cb -0.45 -3.89 -0.00 0.00 0.52 0.00 0.00 34.95 31.12 3d6a s ARG 507 CO 0.39 -0.96 1.22 -2.14 0.02 0.00 0.00 175.30 173.83 3d6a s PRO 508 N 1.51 2.57 0.35 3.54 0.02 -1.26 -4.92 135.00 136.80 3d6a s PRO 508 Ca 0.03 1.83 0.12 0.00 0.02 0.00 0.00 61.00 63.00 3d6a s PRO 508 Cb -0.23 -1.88 0.63 0.00 0.02 0.00 0.00 34.50 33.04 3d6a s PRO 508 CO 0.04 -1.52 1.78 0.00 -0.33 0.00 0.00 177.00 176.96 3d6a h ALA 509 N 0.33 1.29 -3.16 -1.55 0.00 -1.93 -3.38 119.26 110.86 3d6a h ALA 509 Ca -0.49 -0.38 -0.52 0.00 0.00 0.00 0.00 54.91 53.52 3d6a h ALA 509 Cb 1.30 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 3d6a h ALA 509 CO 0.53 0.53 -0.76 -1.17 0.00 0.00 0.00 179.25 178.37 3d6a s LEU 510 N -8.10 1.09 0.63 0.00 2.96 -1.26 -4.97 118.68 109.04 3d6a s LEU 510 Ca -0.03 -0.94 -0.18 0.00 -0.22 0.00 0.00 54.13 52.76 3d6a s LEU 510 Cb 0.14 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 46.27 3d6a s LEU 510 CO 0.74 -0.34 1.27 -2.84 -1.32 0.00 0.00 176.35 173.85 3d6a s PRO 511 N 1.91 2.68 0.47 0.98 0.02 -1.26 -3.42 135.00 136.38 3d6a s PRO 511 Ca 0.02 2.00 0.14 0.00 0.02 0.00 0.00 61.00 63.18 3d6a s PRO 511 Cb -0.17 -1.87 1.11 0.00 0.02 0.00 0.00 34.50 33.59 3d6a s PRO 511 CO -0.14 -1.48 2.06 0.07 -0.33 0.00 0.00 177.00 177.19 3d6a h ARG 512 N 0.66 0.25 -0.00 5.54 0.11 -1.96 -1.60 114.38 117.38 3d6a h ARG 512 Ca -0.51 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.56 3d6a h ARG 512 Cb 1.33 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.35 3d6a h ARG 512 CO 0.54 0.17 -0.07 0.00 0.10 0.00 0.00 179.97 180.71 3d6a n SER 514 N -1.20 0.42 -4.69 0.00 7.64 -0.60 -4.85 113.62 110.34 3d6a n SER 514 Ca 0.13 -0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.44 3d6a n SER 514 Cb 0.27 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 3d6a n SER 514 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d6a s LEU 515 N -2.92 4.36 -0.26 -3.43 1.43 -1.15 -4.98 118.68 111.72 3d6a s LEU 515 Ca 0.14 2.44 -0.10 0.00 -1.03 0.00 0.00 54.13 55.58 3d6a s LEU 515 Cb 0.18 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3d6a s LEU 515 CO 0.63 -0.87 0.15 -0.04 0.23 0.00 0.00 176.35 176.45 3d6a s MET 516 N 2.69 3.89 0.61 1.70 -1.94 -1.26 -4.97 119.30 120.02 3d6a s MET 516 Ca 0.73 -0.35 0.30 0.00 -1.71 0.00 0.00 55.69 54.66 3d6a s MET 516 Cb -0.39 -3.55 1.66 0.00 2.01 0.00 0.00 34.83 34.57 3d6a s MET 516 CO 0.32 -0.14 2.03 -1.35 -0.01 0.00 0.00 175.02 175.87 3d6a h PRO 517 N 8.19 0.00 -0.27 2.03 0.11 -1.93 -0.95 132.00 139.17 3d6a h PRO 517 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3d6a h PRO 517 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3d6a h PRO 517 CO 0.57 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 3d6a n ALA 518 N -2.23 2.75 -1.66 -0.75 0.00 -1.26 -4.39 120.51 112.97 3d6a n ALA 518 Ca 0.02 -2.00 -0.44 0.00 0.00 0.00 0.00 53.44 51.03 3d6a n ALA 518 Cb 0.40 -0.62 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 3d6a n ALA 518 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3d6a n GLU 519 N -0.27 1.87 -2.22 0.00 0.28 -0.36 -4.98 120.64 114.96 3d6a n GLU 519 Ca 0.18 0.66 -0.26 0.00 -0.16 0.00 0.00 57.16 57.58 3d6a n GLU 519 Cb 0.76 -2.19 0.11 0.00 1.43 0.00 0.00 31.44 31.55 3d6a n GLU 519 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3d6a s SER 520 N -0.27 4.18 0.18 -1.84 1.04 -1.26 -4.57 113.70 111.16 3d6a s SER 520 Ca 0.59 0.19 -0.13 0.00 0.48 0.00 0.00 55.95 57.08 3d6a s SER 520 Cb -0.63 -0.59 0.11 0.00 0.10 0.00 0.00 66.02 65.02 3d6a s SER 520 CO 0.59 -2.01 1.82 0.22 0.98 0.00 0.00 173.24 174.84 3d6a h TYR 521 N -0.90 0.60 -0.69 5.02 3.20 -1.98 0.16 116.97 122.39 3d6a h TYR 521 Ca -0.42 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.49 3d6a h TYR 521 Cb 1.28 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 3d6a h TYR 521 CO -0.25 0.34 0.44 -0.44 -1.64 0.00 0.00 178.16 176.62 3d6a h ASP 522 N 0.64 0.73 -0.45 -2.11 5.19 -2.00 -0.49 116.42 117.94 3d6a h ASP 522 Ca 0.22 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.48 3d6a h ASP 522 Cb 0.02 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 3d6a h ASP 522 CO -0.10 0.52 -0.25 1.56 -3.12 0.00 0.00 179.24 177.85 3d6a h GLN 523 N 0.87 0.97 0.04 3.56 4.20 -1.85 -2.45 115.11 120.45 3d6a h GLN 523 Ca 0.27 -0.43 0.01 0.00 0.06 0.00 0.00 58.65 58.56 3d6a h GLN 523 Cb -0.02 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3d6a h GLN 523 CO -0.09 1.10 -0.11 -0.92 -0.67 0.00 0.00 178.83 178.14 3d6a h TYR 524 N 0.83 -0.29 -0.23 2.96 3.20 -0.24 -1.97 116.97 121.23 3d6a h TYR 524 Ca 0.10 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3d6a h TYR 524 Cb 0.83 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 3d6a h TYR 524 CO 0.05 -0.17 -0.23 -0.39 -1.64 0.00 0.00 178.16 175.78 3d6a h VAL 525 N -0.21 1.26 0.07 1.81 -1.51 -1.11 -2.39 116.25 114.16 3d6a h VAL 525 Ca 0.03 -1.20 -0.00 0.00 -1.23 0.00 0.00 66.70 64.29 3d6a h VAL 525 Cb 0.24 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3d6a h VAL 525 CO -0.08 0.38 -0.03 -0.08 -1.23 0.00 0.00 177.57 176.53 3d6a h GLU 526 N 0.39 -0.08 0.00 5.19 4.57 -1.32 -1.70 114.58 121.62 3d6a h GLU 526 Ca 0.06 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3d6a h GLU 526 Cb 0.62 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 3d6a h GLU 526 CO 0.04 0.02 -0.15 0.07 -1.18 0.00 0.00 179.01 177.81 3d6a h ARG 527 N -0.17 0.00 -0.23 1.92 -0.00 -1.19 -0.83 114.38 113.88 3d6a h ARG 527 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.86 3d6a h ARG 527 Cb 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.11 3d6a h ARG 527 CO 0.01 0.15 -0.28 0.00 -0.00 0.00 0.00 179.97 179.86 3d6a h ALA 529 N 0.65 0.50 -0.60 0.00 0.00 -0.64 -0.91 119.26 118.28 3d6a h ALA 529 Ca 0.03 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3d6a h ALA 529 Cb 0.85 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3d6a h ALA 529 CO 0.07 -0.23 0.11 0.28 0.00 0.00 0.00 179.25 179.48 3d6a h VAL 530 N 0.32 1.26 -0.06 0.00 2.07 -1.22 0.28 116.25 118.90 3d6a h VAL 530 Ca 0.19 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3d6a h VAL 530 Cb 0.18 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3d6a h VAL 530 CO -0.19 0.36 0.02 0.28 0.02 0.00 0.00 177.57 178.06 3d6a h SER 531 N 0.88 0.08 -0.63 0.57 0.02 -1.14 -2.07 113.55 111.25 3d6a h SER 531 Ca 0.18 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3d6a h SER 531 Cb 0.40 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 3d6a h SER 531 CO 0.01 0.21 0.42 0.24 -1.14 0.00 0.00 176.83 176.57 3d6a h MET 532 N -0.06 0.73 0.10 3.45 2.86 -1.08 -0.57 114.93 120.36 3d6a h MET 532 Ca 0.02 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3d6a h MET 532 Cb 0.16 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 3d6a h MET 532 CO -0.00 0.49 -0.46 0.78 1.06 0.00 0.00 176.91 178.77 3d6a h GLY 533 N 0.76 -0.95 0.93 8.32 0.00 -0.55 -0.52 103.07 111.06 3d6a h GLY 533 Ca 0.25 0.56 0.02 0.00 0.00 0.00 0.00 47.33 48.16 3d6a h GLY 533 CO -0.07 -0.27 0.38 -1.61 0.00 0.00 0.00 176.54 174.98 3d6a h GLN 534 N -0.68 0.74 -0.72 4.80 4.15 -1.04 -2.28 115.11 120.08 3d6a h GLN 534 Ca 0.02 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.46 3d6a h GLN 534 Cb 0.71 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 28.17 3d6a h GLN 534 CO -0.28 0.49 0.41 0.82 -1.93 0.00 0.00 178.83 178.35 3d6a h ILE 535 N 0.76 0.98 0.00 2.39 2.04 -0.95 -1.73 117.51 121.00 3d6a h ILE 535 Ca 0.23 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 3d6a h ILE 535 Cb -0.03 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 3d6a h ILE 535 CO -0.08 0.14 -0.39 0.40 0.00 0.00 0.00 178.15 178.22 3d6a h ILE 536 N 0.75 1.24 -0.12 -0.67 1.08 -0.90 -3.08 117.51 115.80 3d6a h ILE 536 Ca 0.32 -1.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 3d6a h ILE 536 Cb 0.20 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 3d6a h ILE 536 CO -0.19 0.39 0.00 0.59 -0.69 0.00 0.00 178.15 178.25 3d6a n ASN 537 N -4.00 1.70 0.05 1.72 4.13 -0.71 -4.00 115.26 114.15 3d6a n ASN 537 Ca -0.02 -1.66 -0.03 0.00 1.68 0.00 0.00 54.58 54.56 3d6a n ASN 537 Cb 0.43 -0.08 -0.01 0.00 -1.54 0.00 0.00 39.78 38.58 3d6a n ASN 537 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3d6a h THR 538 N 2.38 0.00 -2.59 3.41 2.02 -1.31 -3.40 112.91 113.41 3d6a h THR 538 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.65 3d6a h THR 538 Cb 0.52 0.00 -0.38 0.00 -1.74 0.00 0.00 68.15 66.54 3d6a h THR 538 CO 0.00 0.00 -0.80 0.00 0.37 0.00 0.00 175.52 175.09 3d6a n PRO 540 N 4.60 0.27 0.01 0.00 -0.04 -1.26 -1.91 135.00 136.68 3d6a n PRO 540 Ca 0.04 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 3d6a n PRO 540 Cb 0.40 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 3d6a n PRO 540 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3d6a n GLN 541 N -1.02 0.27 -2.10 0.54 3.00 -1.26 -4.95 117.38 111.85 3d6a n GLN 541 Ca 0.07 -0.04 -0.38 0.00 -0.01 0.00 0.00 57.00 56.63 3d6a n GLN 541 Cb 0.03 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 28.73 3d6a n GLN 541 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3d6a s ASP 542 N -3.74 6.04 -0.02 1.08 -1.08 -0.80 -4.96 116.67 113.18 3d6a s ASP 542 Ca 0.03 2.50 0.04 0.00 -0.52 0.00 0.00 52.55 54.59 3d6a s ASP 542 Cb 0.15 -2.62 0.05 0.00 -1.46 0.00 0.00 42.92 39.04 3d6a s ASP 542 CO 0.84 -1.02 1.01 0.23 0.52 0.00 0.00 175.17 176.75 3d6a n MET 543 N -0.39 2.56 0.00 4.34 2.81 -1.26 -4.69 117.12 120.49 3d6a n MET 543 Ca 0.07 -1.67 0.00 0.00 -1.81 0.00 0.00 57.70 54.29 3d6a n MET 543 Cb 0.46 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 3d6a n MET 543 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d6a n GLY 544 N -0.66 1.94 3.62 3.03 0.00 -1.26 -4.03 105.19 107.83 3d6a n GLY 544 Ca 0.03 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 3d6a n GLY 544 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d6a s ILE 545 N 2.48 4.63 -0.14 -0.61 1.01 0.96 -1.98 121.20 127.54 3d6a s ILE 545 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 3d6a s ILE 545 Cb 0.00 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 3d6a s ILE 545 CO 0.00 0.48 0.23 -0.89 0.00 0.00 0.00 174.94 174.77 3d6a s THR 546 N 0.23 5.34 -0.13 2.92 2.01 -0.34 -0.38 115.64 125.29 3d6a s THR 546 Ca 0.03 0.42 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 3d6a s THR 546 Cb -0.13 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 3d6a s THR 546 CO 0.01 0.48 0.24 -0.76 -0.69 0.00 0.00 174.62 173.89 3d6a s LEU 547 N -0.09 4.32 -0.33 4.42 1.43 -0.27 -0.90 118.68 127.26 3d6a s LEU 547 Ca 0.15 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 3d6a s LEU 547 Cb -0.13 -2.27 0.08 0.00 0.03 0.00 0.00 46.19 43.90 3d6a s LEU 547 CO 0.04 0.25 0.04 -0.63 0.23 0.00 0.00 176.35 176.27 3d6a s ILE 548 N -0.26 2.70 -0.33 -0.59 -1.09 0.34 -0.19 121.20 121.78 3d6a s ILE 548 Ca 0.16 -1.86 -0.11 0.00 -2.23 0.00 0.00 60.65 56.60 3d6a s ILE 548 Cb -0.13 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 37.99 3d6a s ILE 548 CO 0.04 -0.37 0.20 -0.69 -1.23 0.00 0.00 174.94 172.89 3d6a s VAL 549 N 1.10 4.92 0.00 2.92 1.01 0.11 -0.22 120.40 130.25 3d6a s VAL 549 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3d6a s VAL 549 Cb -0.20 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3d6a s VAL 549 CO -0.05 0.01 0.00 -0.24 0.00 0.00 0.00 175.10 174.82 3d6a n SER 550 N 5.04 1.06 -4.81 3.32 2.88 -0.28 -1.08 113.62 119.76 3d6a n SER 550 Ca -0.13 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.19 3d6a n SER 550 Cb 0.49 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.90 3d6a n SER 550 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3d6a s HIS 551 N -0.35 2.78 0.29 0.66 3.76 -1.26 -2.15 115.29 119.02 3d6a s HIS 551 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 3d6a s HIS 551 Cb 0.00 -1.82 0.68 0.00 1.11 0.00 0.00 32.58 32.54 3d6a s HIS 551 CO 0.00 0.18 1.62 0.77 -0.85 0.00 0.00 174.74 176.46 3d6a h SER 552 N 1.32 -0.21 -0.72 1.40 0.02 -1.93 -0.29 113.55 113.14 3d6a h SER 552 Ca -0.44 0.22 0.10 0.00 -0.84 0.00 0.00 61.79 60.84 3d6a h SER 552 Cb 1.26 0.35 -0.05 0.00 0.14 0.00 0.00 62.40 64.10 3d6a h SER 552 CO 0.61 -0.23 0.48 0.77 -1.14 0.00 0.00 176.83 177.32 3d6a h SER 553 N 0.12 0.54 -0.03 3.07 4.64 -1.95 -2.75 113.55 117.19 3d6a h SER 553 Ca 0.54 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.87 3d6a h SER 553 Cb 1.09 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3d6a h SER 553 CO -0.74 0.32 0.00 0.00 -0.87 0.00 0.00 176.83 175.55 3d6a h ALA 554 N 1.64 1.87 0.00 5.18 0.00 -1.41 -0.86 119.26 125.68 3d6a h ALA 554 Ca 0.33 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3d6a h ALA 554 Cb 0.50 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3d6a h ALA 554 CO -0.12 0.10 -0.02 -0.07 0.00 0.00 0.00 179.25 179.14 3d6a h LEU 555 N 0.10 0.00 0.00 0.00 4.07 -1.59 0.14 115.31 118.03 3d6a h LEU 555 Ca 0.03 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.74 3d6a h LEU 555 Cb 0.07 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.77 3d6a h LEU 555 CO 0.00 0.02 -1.53 -0.67 -1.08 0.00 0.00 178.44 175.18 3d6a n ASP 556 N -3.77 1.89 0.23 -0.43 2.03 -0.83 -4.31 116.55 111.37 3d6a n ASP 556 Ca -0.03 0.42 0.12 0.00 0.52 0.00 0.00 54.79 55.82 3d6a n ASP 556 Cb 0.11 -0.88 0.49 0.00 -0.72 0.00 0.00 41.12 40.12 3d6a n ASP 556 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3d6a h SER 557 N -1.00 0.00 0.33 1.67 4.64 -1.06 -2.07 113.55 116.06 3d6a h SER 557 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3d6a h SER 557 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3d6a h SER 557 CO -0.23 0.16 -1.07 0.00 -0.87 0.00 0.00 176.83 174.83 3d6a n THR 559 N -1.88 1.46 -0.30 0.00 -2.24 -1.08 -4.40 114.28 105.84 3d6a n THR 559 Ca 0.02 -0.56 0.06 0.00 -2.27 0.00 0.00 64.05 61.30 3d6a n THR 559 Cb 0.42 -1.39 0.20 0.00 -2.10 0.00 0.00 70.33 67.46 3d6a n THR 559 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3d6a h ARG 560 N 0.00 0.70 -0.74 -0.78 3.08 -1.61 0.15 114.38 115.18 3d6a h ARG 560 Ca -0.57 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.45 3d6a h ARG 560 Cb 1.88 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 31.74 3d6a h ARG 560 CO -0.09 0.46 0.49 -1.35 -1.07 0.00 0.00 179.97 178.41 3d6a h PRO 561 N 0.72 0.98 -0.30 0.04 0.11 -1.79 0.21 132.00 131.98 3d6a h PRO 561 Ca 0.44 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.35 3d6a h PRO 561 Cb 0.53 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3d6a h PRO 561 CO -0.31 0.66 -0.36 -0.07 -0.21 0.00 0.00 178.00 177.71 3d6a h LEU 562 N 1.01 0.72 -0.01 2.35 3.38 -1.39 -2.98 115.31 118.40 3d6a h LEU 562 Ca 0.27 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3d6a h LEU 562 Cb -0.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.44 3d6a h LEU 562 CO -0.06 1.01 -0.01 0.18 0.09 0.00 0.00 178.44 179.66 3d6a n LEU 563 N -4.05 0.01 -2.37 1.67 4.77 -0.09 -4.23 117.00 112.71 3d6a n LEU 563 Ca -0.01 0.34 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 3d6a n LEU 563 Cb 0.51 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 3d6a n LEU 563 CO 0.46 0.00 0.07 0.61 -1.33 0.00 0.00 177.39 177.20 3d6a n GLY 564 N 1.35 -0.13 3.79 -0.72 0.00 -0.65 -4.93 105.19 103.90 3d6a n GLY 564 Ca 0.12 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3d6a n GLY 564 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d6a s LEU 565 N -5.05 3.87 0.66 0.99 1.43 0.65 -5.02 118.68 116.21 3d6a s LEU 565 Ca 0.29 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.28 3d6a s LEU 565 Cb -0.13 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 3d6a s LEU 565 CO 0.36 0.18 1.09 -2.16 0.23 0.00 0.00 176.35 176.05 3d6a s PRO 566 N -2.32 2.90 0.47 1.29 0.04 -1.26 -4.38 135.00 131.74 3d6a s PRO 566 Ca 0.29 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.38 3d6a s PRO 566 Cb -0.12 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3d6a s PRO 566 CO 0.22 -1.16 1.04 -2.30 0.04 0.00 0.00 177.00 174.84 3d6a n PRO 567 N -2.48 1.33 -1.97 0.56 -0.02 -1.26 -4.94 135.00 126.22 3d6a n PRO 567 Ca 0.10 0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 3d6a n PRO 567 Cb 0.52 -2.13 0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3d6a n PRO 567 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3d6a s ARG 568 N -2.24 2.92 0.32 -0.52 3.52 -1.26 -4.96 118.95 116.73 3d6a s ARG 568 Ca 0.66 1.76 -0.29 0.00 -0.13 0.00 0.00 55.73 57.73 3d6a s ARG 568 Cb -0.51 -1.93 -0.12 0.00 -1.56 0.00 0.00 34.95 30.83 3d6a s ARG 568 CO 0.54 -1.23 1.45 -1.91 -0.81 0.00 0.00 175.30 173.35 3d6a n GLU 569 N -1.73 2.43 -0.32 5.12 0.00 -1.26 -4.81 120.64 120.07 3d6a n GLU 569 Ca 0.13 0.86 0.09 0.00 0.00 0.00 0.00 57.16 58.24 3d6a n GLU 569 Cb 0.50 -2.55 0.26 0.00 0.00 0.00 0.00 31.44 29.65 3d6a n GLU 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3d6a h GLY 571 N 0.67 0.68 0.96 0.00 0.00 -1.99 0.44 103.07 103.83 3d6a h GLY 571 Ca 0.50 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3d6a h GLY 571 CO -0.37 0.48 0.20 -0.55 0.00 0.00 0.00 176.54 176.30 3d6a h ASP 572 N 0.43 0.50 -0.54 0.19 3.32 -1.77 -2.12 116.42 116.42 3d6a h ASP 572 Ca 0.09 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.09 3d6a h ASP 572 Cb 0.50 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 3d6a h ASP 572 CO 0.02 0.47 0.26 0.15 -1.72 0.00 0.00 179.24 178.42 3d6a h PHE 573 N 0.50 0.47 -0.56 4.55 3.57 -0.93 -1.09 116.94 123.45 3d6a h PHE 573 Ca 0.14 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3d6a h PHE 573 Cb 0.09 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3d6a h PHE 573 CO -0.02 0.21 0.23 0.00 -2.23 0.00 0.00 178.31 176.50 3d6a h ALA 574 N 1.31 1.36 -0.19 2.41 0.00 -0.71 -1.76 119.26 121.69 3d6a h ALA 574 Ca 0.25 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3d6a h ALA 574 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3d6a h ALA 574 CO -0.19 0.49 -0.53 1.96 0.00 0.00 0.00 179.25 180.97 3d6a h GLN 575 N 0.80 0.55 -0.52 0.00 4.20 -1.03 -3.25 115.11 115.87 3d6a h GLN 575 Ca 0.19 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 3d6a h GLN 575 Cb 0.14 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3d6a h GLN 575 CO -0.02 0.94 -0.13 1.25 -0.67 0.00 0.00 178.83 180.20 3d6a h LEU 576 N 0.42 0.99 -0.21 1.46 6.46 -0.77 -3.15 115.31 120.50 3d6a h LEU 576 Ca 0.01 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 3d6a h LEU 576 Cb 1.07 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 3d6a h LEU 576 CO 0.10 1.11 0.00 1.33 -0.62 0.00 0.00 178.44 180.36 3d6a n VAL 577 N -4.14 1.10 0.40 1.05 0.24 -0.70 -1.62 118.33 114.66 3d6a n VAL 577 Ca 0.01 0.30 0.12 0.00 -2.04 0.00 0.00 64.34 62.74 3d6a n VAL 577 Cb 0.41 -1.14 0.21 0.00 -1.47 0.00 0.00 33.84 31.86 3d6a n VAL 577 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3d6a h ARG 578 N 0.00 0.00 -0.02 7.34 2.43 -1.65 -3.38 114.38 119.10 3d6a h ARG 578 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3d6a h ARG 578 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3d6a h ARG 578 CO 0.00 0.00 -0.27 1.63 -1.51 0.00 0.00 179.97 179.82 3d6a n LYS 579 N -2.58 1.66 -3.40 0.20 4.76 -0.64 -4.90 118.16 113.26 3d6a n LYS 579 Ca 0.04 -1.36 -0.39 0.00 -2.87 0.00 0.00 58.31 53.73 3d6a n LYS 579 Cb 0.48 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 32.11 3d6a n LYS 579 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3d6a s ILE 580 N -2.28 5.18 0.84 -0.18 1.01 -1.26 -5.07 121.20 119.45 3d6a s ILE 580 Ca 0.23 0.57 -0.12 0.00 0.00 0.00 0.00 60.65 61.33 3d6a s ILE 580 Cb 0.19 -3.69 0.10 0.00 0.01 0.00 0.00 42.46 39.06 3d6a s ILE 580 CO 0.46 0.18 1.10 -2.16 0.00 0.00 0.00 174.94 174.52 3d6a s PRO 581 N 1.95 1.70 0.21 2.79 0.04 -1.26 -4.88 135.00 135.55 3d6a s PRO 581 Ca 0.15 0.59 -0.32 0.00 0.04 0.00 0.00 61.00 61.46 3d6a s PRO 581 Cb -0.16 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.36 3d6a s PRO 581 CO 0.10 -1.88 1.37 0.43 0.04 0.00 0.00 177.00 177.06 3d6a n SER 582 N -3.60 2.43 -1.47 6.66 7.64 -1.26 -0.40 113.62 123.62 3d6a n SER 582 Ca 0.07 1.13 -0.19 0.00 1.01 0.00 0.00 58.87 60.89 3d6a n SER 582 Cb 0.57 -1.37 -0.08 0.00 -1.01 0.00 0.00 64.21 62.31 3d6a n SER 582 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d6a n LEU 583 N 2.27 -1.34 -4.75 -3.43 7.99 -0.81 -4.93 117.00 112.00 3d6a n LEU 583 Ca 0.13 0.48 -0.40 0.00 -0.01 0.00 0.00 56.01 56.20 3d6a n LEU 583 Cb 0.29 -2.81 0.01 0.00 -0.11 0.00 0.00 43.42 40.81 3d6a n LEU 583 CO 0.62 -1.07 1.03 0.61 -1.51 0.00 0.00 177.39 177.07 3d6a n GLY 584 N -0.35 0.92 3.13 -0.72 0.00 0.47 -4.61 105.19 104.02 3d6a n GLY 584 Ca -0.19 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3d6a n GLY 584 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3d6a s MET 585 N -2.32 0.74 -0.08 1.61 -1.94 -1.26 -1.10 119.30 114.94 3d6a s MET 585 Ca 0.60 -0.87 -0.04 0.00 -1.71 0.00 0.00 55.69 53.67 3d6a s MET 585 Cb -0.47 -0.68 0.04 0.00 2.01 0.00 0.00 34.83 35.73 3d6a s MET 585 CO 0.59 0.15 0.18 0.00 -0.01 0.00 0.00 175.02 175.92 3d6a s PHE 587 N 1.19 1.62 -0.10 0.00 5.36 -1.26 -0.66 117.98 124.13 3d6a s PHE 587 Ca -0.09 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.12 3d6a s PHE 587 Cb -0.11 -1.25 -0.02 0.00 -0.34 0.00 0.00 43.02 41.29 3d6a s PHE 587 CO -0.07 -0.46 -0.11 0.00 -1.46 0.00 0.00 175.22 173.13 3d6a s GLU 589 N -0.11 2.56 -0.16 0.00 2.02 -0.23 -0.22 118.70 122.56 3d6a s GLU 589 Ca -0.00 -0.72 -0.19 0.00 0.02 0.00 0.00 54.97 54.07 3d6a s GLU 589 Cb -0.13 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 3d6a s GLU 589 CO 0.03 0.57 0.54 -2.00 0.02 0.00 0.00 175.26 174.42 3d6a s GLU 590 N -0.59 4.27 -0.18 1.61 2.12 -0.29 -0.96 118.70 124.68 3d6a s GLU 590 Ca 0.08 0.51 -0.29 0.00 0.36 0.00 0.00 54.97 55.63 3d6a s GLU 590 Cb -0.11 -3.51 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 3d6a s GLU 590 CO 0.01 -0.03 1.30 1.21 -0.54 0.00 0.00 175.26 177.21 3d6a s ASN 591 N 0.94 6.87 0.13 -1.70 3.84 0.11 -4.20 114.94 120.92 3d6a s ASN 591 Ca 0.27 1.66 -0.23 0.00 0.21 0.00 0.00 52.86 54.77 3d6a s ASN 591 Cb -0.16 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 37.97 3d6a s ASN 591 CO 0.11 -0.83 1.66 -0.09 -2.79 0.00 0.00 177.10 175.16 3d6a h ARG 592 N 8.50 -0.23 0.00 0.43 9.65 -1.90 0.85 114.38 131.68 3d6a h ARG 592 Ca -0.27 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.61 3d6a h ARG 592 Cb 1.11 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.74 3d6a h ARG 592 CO 0.98 -0.16 -0.05 1.05 2.80 0.00 0.00 179.97 184.60 3d6a h GLU 593 N -0.24 0.00 -0.00 0.20 4.11 -1.98 -3.28 114.58 113.39 3d6a h GLU 593 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 3d6a h GLU 593 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3d6a h GLU 593 CO -0.22 0.05 -0.13 -0.40 0.07 0.00 0.00 179.01 178.37 3d6a n ASP 594 N -3.12 0.50 -0.10 3.06 5.75 -1.21 -5.02 116.55 116.41 3d6a n ASP 594 Ca 0.03 -0.75 -0.01 0.00 -0.01 0.00 0.00 54.79 54.04 3d6a n ASP 594 Cb 0.48 0.73 -0.01 0.00 -1.03 0.00 0.00 41.12 41.30 3d6a n ASP 594 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d6a n GLY 595 N 0.86 0.45 3.81 6.12 0.00 0.29 -5.01 105.19 111.71 3d6a n GLY 595 Ca 0.01 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 3d6a n GLY 595 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d6a s LYS 596 N -1.00 4.23 -0.04 1.61 2.20 -1.24 -4.81 119.74 120.69 3d6a s LYS 596 Ca 0.00 0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 56.26 3d6a s LYS 596 Cb 0.00 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 3d6a s LYS 596 CO 0.00 0.62 0.29 -1.58 -0.36 0.00 0.00 175.35 174.32 3d6a s TRP 597 N -1.06 3.66 0.03 4.03 0.52 -1.26 0.08 118.94 124.94 3d6a s TRP 597 Ca 0.29 0.77 0.04 0.00 0.02 0.00 0.00 56.10 57.23 3d6a s TRP 597 Cb -0.20 -2.12 -0.02 0.00 -1.15 0.00 0.00 33.47 29.98 3d6a s TRP 597 CO 0.19 0.67 -0.12 -0.51 0.02 0.00 0.00 176.95 177.20 3d6a s ASP 598 N -1.14 1.46 0.16 2.95 1.01 -0.14 -4.69 116.67 116.28 3d6a s ASP 598 Ca 0.21 -0.43 -0.30 0.00 0.71 0.00 0.00 52.55 52.74 3d6a s ASP 598 Cb -0.14 -0.09 -0.08 0.00 1.01 0.00 0.00 42.92 43.62 3d6a s ASP 598 CO 0.10 0.01 1.31 -0.76 0.21 0.00 0.00 175.17 176.04 3d6a s LEU 599 N -1.07 4.40 0.17 1.23 1.43 -1.26 -1.07 118.68 122.51 3d6a s LEU 599 Ca 0.00 2.31 -0.01 0.00 -1.03 0.00 0.00 54.13 55.41 3d6a s LEU 599 Cb -0.07 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3d6a s LEU 599 CO 0.01 -0.54 0.09 0.68 0.23 0.00 0.00 176.35 176.82 3d6a s VAL 600 N 0.49 0.13 0.28 -1.59 -7.23 -0.64 -4.95 120.40 106.89 3d6a s VAL 600 Ca 0.59 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 3d6a s VAL 600 Cb -0.35 -2.28 -0.12 0.00 0.56 0.00 0.00 36.38 34.19 3d6a s VAL 600 CO 0.35 -0.24 1.62 0.59 -0.31 0.00 0.00 175.10 177.10 3d6a n ASN 601 N -0.20 3.87 -4.68 4.85 3.02 -1.26 -4.18 115.26 116.68 3d6a n ASN 601 Ca -0.02 1.13 -0.35 0.00 -0.03 0.00 0.00 54.58 55.31 3d6a n ASN 601 Cb 0.65 -1.59 0.10 0.00 -0.61 0.00 0.00 39.78 38.33 3d6a n ASN 601 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3d6a n PRO 602 N 2.45 0.49 0.04 3.52 -0.02 -1.26 -4.88 135.00 135.33 3d6a n PRO 602 Ca 0.10 0.23 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 3d6a n PRO 602 Cb 0.36 -2.40 0.30 0.00 -0.02 0.00 0.00 33.50 31.75 3d6a n PRO 602 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3d6a n PRO 603 N -2.55 0.05 -4.20 0.52 -0.04 -1.26 -4.72 135.00 122.80 3d6a n PRO 603 Ca 0.14 0.37 -0.15 0.00 -0.04 0.00 0.00 63.50 63.82 3d6a n PRO 603 Cb 0.50 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 3d6a n PRO 603 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3d6a s VAL 604 N -3.11 1.06 0.94 0.52 -7.23 -1.26 -4.89 120.40 106.42 3d6a s VAL 604 Ca 0.04 -1.73 -0.12 0.00 -1.81 0.00 0.00 61.98 58.36 3d6a s VAL 604 Cb 0.07 -1.49 0.15 0.00 0.56 0.00 0.00 36.38 35.68 3d6a s VAL 604 CO 0.23 -0.57 1.09 -0.54 -0.31 0.00 0.00 175.10 175.00 3d6a s LYS 605 N -2.95 0.91 0.99 4.82 -0.14 -1.26 -5.05 119.74 117.06 3d6a s LYS 605 Ca 0.08 0.84 -0.12 0.00 -1.36 0.00 0.00 55.97 55.40 3d6a s LYS 605 Cb -0.02 -1.77 0.18 0.00 -1.68 0.00 0.00 37.83 34.54 3d6a s LYS 605 CO 0.01 -2.49 1.10 0.95 -0.76 0.00 0.00 175.35 174.16 3d6a s THR 606 N -2.87 2.06 -0.19 2.17 -4.23 -1.26 -5.07 115.64 106.26 3d6a s THR 606 Ca 0.64 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 3d6a s THR 606 Cb -0.19 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.15 3d6a s THR 606 CO 0.58 -0.03 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.34 3d6a s LEU 607 N -6.42 2.07 -0.14 4.79 2.96 -1.26 -5.11 118.68 115.57 3d6a s LEU 607 Ca 0.65 -0.85 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3d6a s LEU 607 Cb -0.18 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.41 3d6a s LEU 607 CO 0.57 -0.18 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.35 3d6a s THR 608 N 1.49 2.36 0.11 3.68 2.01 -1.26 -5.01 115.64 119.02 3d6a s THR 608 Ca -0.01 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 3d6a s THR 608 Cb -0.16 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.39 3d6a s THR 608 CO -0.08 0.53 0.28 -1.38 -0.69 0.00 0.00 174.62 173.29 3d6a s HIS 609 N 0.78 0.04 0.79 4.92 -3.43 -1.26 -5.18 115.29 111.94 3d6a s HIS 609 Ca -0.07 -0.42 -0.09 0.00 -0.80 0.00 0.00 55.06 53.68 3d6a s HIS 609 Cb -0.16 0.07 0.10 0.00 -1.43 0.00 0.00 32.58 31.16 3d6a s HIS 609 CO -0.00 -0.63 1.12 0.20 -2.00 0.00 0.00 174.74 173.43 3d6a s GLY 610 N -2.85 1.68 0.66 -1.38 0.00 -1.26 -5.09 107.32 99.08 3d6a s GLY 610 Ca 0.05 -0.97 -0.07 0.00 0.00 0.00 0.00 44.72 43.73 3d6a s GLY 610 CO -0.10 -0.45 0.99 0.00 0.00 0.00 0.00 173.10 173.53 3d6a s ALA 611 N -3.46 3.15 -0.13 3.20 0.00 -1.26 -5.10 121.76 118.17 3d6a s ALA 611 Ca 0.64 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 3d6a s ALA 611 Cb -0.09 -2.69 0.03 0.00 0.00 0.00 0.00 23.12 20.37 3d6a s ALA 611 CO 0.47 -1.08 -0.08 1.21 0.00 0.00 0.00 175.76 176.29 3d6a s ASN 612 N -4.40 2.36 0.48 0.00 3.84 -1.26 -5.14 114.94 110.82 3d6a s ASN 612 Ca 0.57 -0.39 -0.14 0.00 0.21 0.00 0.00 52.86 53.11 3d6a s ASN 612 Cb -0.11 -0.90 -0.07 0.00 -0.55 0.00 0.00 41.25 39.62 3d6a s ASN 612 CO 0.46 -0.12 0.91 -0.94 -2.79 0.00 0.00 177.10 174.63 3d6a s SER 613 N 1.66 6.57 0.60 -4.21 1.04 -1.26 -5.03 113.70 113.07 3d6a s SER 613 Ca 0.04 1.41 -0.19 0.00 0.48 0.00 0.00 55.95 57.69 3d6a s SER 613 Cb -0.13 -2.44 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 3d6a s SER 613 CO -0.09 -0.53 1.26 0.54 0.98 0.00 0.00 173.24 175.40 3d6a s VAL 614 N -2.56 2.34 -0.25 5.02 0.11 -1.26 -5.02 120.40 118.77 3d6a s VAL 614 Ca 0.56 0.22 -0.18 0.00 -2.93 0.00 0.00 61.98 59.65 3d6a s VAL 614 Cb -0.10 -3.09 0.07 0.00 -1.53 0.00 0.00 36.38 31.72 3d6a s VAL 614 CO 0.32 -0.04 0.63 0.12 -3.33 0.00 0.00 175.10 172.81 3d6a s PHE 615 N -1.46 -0.84 -0.17 1.54 5.36 -1.26 -5.12 117.98 116.03 3d6a s PHE 615 Ca 0.78 1.84 -0.04 0.00 -0.96 0.00 0.00 56.93 58.55 3d6a s PHE 615 Cb -0.35 0.41 0.08 0.00 -0.34 0.00 0.00 43.02 42.82 3d6a s PHE 615 CO 0.38 -0.42 0.23 1.21 -1.46 0.00 0.00 175.22 175.16 3d6a s ASN 616 N 1.01 0.95 0.19 6.13 2.47 -1.26 -5.06 114.94 119.37 3d6a s ASN 616 Ca -0.05 0.11 -0.10 0.00 0.42 0.00 0.00 52.86 53.23 3d6a s ASN 616 Cb -0.05 0.49 0.12 0.00 -1.45 0.00 0.00 41.25 40.36 3d6a s ASN 616 CO -0.09 -0.29 1.79 -0.25 -3.72 0.00 0.00 177.10 174.53 3d6a h TRP 617 N 8.31 1.00 -0.58 0.43 2.91 -2.00 -0.21 115.95 125.82 3d6a h TRP 617 Ca -0.16 -0.05 -0.06 0.00 1.13 0.00 0.00 58.89 59.76 3d6a h TRP 617 Cb 1.14 -0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 29.45 3d6a h TRP 617 CO 0.24 0.74 0.13 0.00 -1.03 0.00 0.00 178.44 178.53 3d6a h ARG 618 N 0.97 0.93 0.37 2.65 3.08 -1.99 -2.54 114.38 117.85 3d6a h ARG 618 Ca 0.24 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3d6a h ARG 618 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3d6a h ARG 618 CO -0.03 0.87 -0.35 -0.91 -1.07 0.00 0.00 179.97 178.48 3d6a h ASN 619 N 0.83 -0.95 -0.89 7.04 4.21 -1.94 -3.27 115.58 120.62 3d6a h ASN 619 Ca 0.18 0.07 0.23 0.00 1.21 0.00 0.00 56.30 57.99 3d6a h ASN 619 Cb 0.36 0.31 -0.17 0.00 -1.12 0.00 0.00 38.32 37.70 3d6a h ASN 619 CO 0.00 -0.47 -0.04 0.79 -1.29 0.00 0.00 177.43 176.43 3d6a n TRP 620 N -4.50 0.51 1.27 1.19 8.01 -0.11 -1.84 117.44 121.97 3d6a n TRP 620 Ca -0.09 1.08 0.13 0.00 -1.31 0.00 0.00 57.50 57.32 3d6a n TRP 620 Cb 0.32 -1.13 0.49 0.00 -2.01 0.00 0.00 31.31 28.98 3d6a n TRP 620 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.69 177.12 3d6a n ILE 621 N -5.34 0.00 0.90 -0.99 -5.35 -0.97 -5.10 119.36 102.51 3d6a n ILE 621 Ca 0.19 -0.07 0.07 0.00 -0.27 0.00 0.00 62.75 62.68 3d6a n ILE 621 Cb 0.63 0.07 0.43 0.00 -1.74 0.00 0.00 39.64 39.03 3d6a n ILE 621 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25