#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6a s ARG 359 N 0.00 4.36 0.09 5.56 3.52 -1.26 -4.53 118.95 126.69 3d6a s ARG 359 Ca 0.00 2.17 0.04 0.00 -0.13 0.00 0.00 55.73 57.81 3d6a s ARG 359 Cb 0.00 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 3d6a s ARG 359 CO 0.00 -0.22 -0.11 0.20 -0.81 0.00 0.00 175.30 174.36 3d6a s GLY 360 N -0.17 0.84 -0.15 8.12 0.00 -0.26 -0.86 107.32 114.84 3d6a s GLY 360 Ca 0.52 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 44.13 3d6a s GLY 360 CO 0.47 -1.18 -0.15 -0.42 0.00 0.00 0.00 173.10 171.83 3d6a s ILE 361 N -2.07 1.61 -0.32 0.90 -1.09 0.55 -0.71 121.20 120.07 3d6a s ILE 361 Ca 0.03 -0.66 -0.05 0.00 -2.23 0.00 0.00 60.65 57.73 3d6a s ILE 361 Cb -0.05 -1.51 0.03 0.00 -1.58 0.00 0.00 42.46 39.35 3d6a s ILE 361 CO 0.01 0.47 0.07 -0.22 -1.23 0.00 0.00 174.94 174.03 3d6a s LEU 362 N 1.46 4.06 -0.18 2.97 2.96 -0.23 -1.30 118.68 128.42 3d6a s LEU 362 Ca 0.05 -1.05 -0.16 0.00 -0.22 0.00 0.00 54.13 52.74 3d6a s LEU 362 Cb -0.13 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3d6a s LEU 362 CO -0.11 -0.27 0.42 -0.69 -1.32 0.00 0.00 176.35 174.38 3d6a s VAL 363 N 1.39 5.19 -0.06 1.68 1.01 -0.36 -0.30 120.40 128.95 3d6a s VAL 363 Ca -0.01 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.75 3d6a s VAL 363 Cb -0.19 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3d6a s VAL 363 CO 0.02 0.26 -0.09 -0.63 0.00 0.00 0.00 175.10 174.66 3d6a s ILE 364 N 1.17 0.91 0.31 2.22 1.01 0.07 -1.22 121.20 125.68 3d6a s ILE 364 Ca 0.21 -0.33 -0.28 0.00 0.00 0.00 0.00 60.65 60.25 3d6a s ILE 364 Cb -0.15 -0.88 -0.09 0.00 0.01 0.00 0.00 42.46 41.35 3d6a s ILE 364 CO 0.08 0.31 1.04 -0.60 0.00 0.00 0.00 174.94 175.77 3d6a s ARG 365 N 0.91 4.56 0.70 2.79 3.52 -0.02 -1.39 118.95 130.03 3d6a s ARG 365 Ca -0.11 1.61 -0.16 0.00 -0.13 0.00 0.00 55.73 56.94 3d6a s ARG 365 Cb -0.15 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 3d6a s ARG 365 CO 0.01 0.20 0.58 -2.39 -0.81 0.00 0.00 175.30 172.89 3d6a n HIS 366 N 0.87 -0.60 -1.26 5.12 1.44 -0.92 -2.01 115.22 117.85 3d6a n HIS 366 Ca 0.01 0.37 -0.29 0.00 -2.01 0.00 0.00 57.72 55.79 3d6a n HIS 366 Cb 0.47 -1.94 0.20 0.00 0.12 0.00 0.00 29.99 28.84 3d6a n HIS 366 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3d6a s GLY 367 N -1.46 1.59 0.05 -1.39 0.00 -1.26 -3.12 107.32 101.73 3d6a s GLY 367 Ca 0.67 -0.71 -0.36 0.00 0.00 0.00 0.00 44.72 44.32 3d6a s GLY 367 CO 0.57 0.02 1.53 -2.21 0.00 0.00 0.00 173.10 173.01 3d6a n GLU 368 N -4.32 1.60 -3.53 2.90 2.13 -1.26 -4.87 120.64 113.28 3d6a n GLU 368 Ca 0.09 0.58 -0.33 0.00 0.66 0.00 0.00 57.16 58.16 3d6a n GLU 368 Cb 0.59 -2.29 -0.05 0.00 0.27 0.00 0.00 31.44 29.96 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 1.41 3.75 0.48 5.31 1.70 -1.26 -0.55 118.95 129.79 3d6a s ARG 369 Ca 0.85 0.16 0.17 0.00 -0.47 0.00 0.00 55.73 56.44 3d6a s ARG 369 Cb -0.85 -2.82 1.18 0.00 -0.57 0.00 0.00 34.95 31.89 3d6a s ARG 369 CO 0.47 0.44 2.04 -0.39 -1.08 0.00 0.00 175.30 176.78 3d6a h VAL 370 N 2.29 0.91 0.00 4.99 -1.51 -1.68 -2.32 116.25 118.93 3d6a h VAL 370 Ca -0.47 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 3d6a h VAL 370 Cb 1.18 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 3d6a h VAL 370 CO 0.69 0.04 0.00 -2.24 -1.23 0.00 0.00 177.57 174.83 3d6a h ASP 371 N 0.20 0.00 -0.08 4.19 2.03 -1.85 -1.73 116.42 119.18 3d6a h ASP 371 Ca 0.18 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.37 3d6a h ASP 371 Cb 0.44 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 3d6a h ASP 371 CO -0.03 0.00 -0.29 1.56 -1.03 0.00 0.00 179.24 179.45 3d6a h GLN 372 N 0.00 0.54 0.02 4.15 4.20 -1.71 -1.99 115.11 120.33 3d6a h GLN 372 Ca 0.00 -0.23 -0.22 0.00 0.06 0.00 0.00 58.65 58.26 3d6a h GLN 372 Cb 0.66 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 3d6a h GLN 372 CO 0.00 0.78 -1.19 0.28 -0.67 0.00 0.00 178.83 178.03 3d6a h VAL 373 N 0.47 1.01 -0.04 -0.54 2.07 -1.61 -3.40 116.25 114.20 3d6a h VAL 373 Ca 0.06 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.34 3d6a h VAL 373 Cb 0.75 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 3d6a h VAL 373 CO 0.06 0.44 0.00 0.49 0.02 0.00 0.00 177.57 178.58 3d6a n PHE 374 N -4.31 0.02 -0.93 1.57 3.72 -0.67 -5.08 117.46 111.77 3d6a n PHE 374 Ca -0.29 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 3d6a n PHE 374 Cb 0.71 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 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 1.26 -2.47 0.14 1.37 0.00 -0.75 -4.24 105.19 100.51 3d6a n GLY 375 Ca 0.13 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 -0.52 1.61 2.10 -1.97 -2.76 116.57 115.04 3d6a h LYS 376 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3d6a h LYS 376 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3d6a h LYS 376 CO 0.00 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.32 3d6a n SER 377 N -2.32 2.73 -0.21 7.07 3.41 -1.26 -4.53 113.62 118.50 3d6a n SER 377 Ca 0.03 -2.13 0.25 0.00 -0.26 0.00 0.00 58.87 56.76 3d6a n SER 377 Cb 0.27 -0.37 0.65 0.00 -0.26 0.00 0.00 64.21 64.50 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 2.56 0.21 -0.41 7.33 5.08 -1.66 -1.72 115.95 127.34 3d6a h TRP 378 Ca 0.00 0.01 -0.08 0.00 1.08 0.00 0.00 58.89 59.90 3d6a h TRP 378 Cb 0.78 -0.06 -0.01 0.00 -3.00 0.00 0.00 29.16 26.87 3d6a h TRP 378 CO 0.38 0.05 -0.05 -0.07 -1.28 0.00 0.00 178.44 177.46 3d6a h LEU 379 N 0.15 0.76 -1.54 0.11 3.38 -1.88 -2.76 115.31 113.52 3d6a h LEU 379 Ca 0.45 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3d6a h LEU 379 Cb 1.53 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3d6a h LEU 379 CO -0.08 0.92 -0.20 1.56 0.09 0.00 0.00 178.44 180.73 3d6a h GLN 380 N 0.58 0.00 0.00 1.13 7.50 -1.64 -1.34 115.11 121.33 3d6a h GLN 380 Ca 0.11 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.20 3d6a h GLN 380 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.08 3d6a h GLN 380 CO 0.03 0.20 -0.27 1.96 -1.50 0.00 0.00 178.83 179.25 3d6a h GLN 381 N 0.00 0.00 0.00 1.46 4.20 -1.31 -3.32 115.11 116.14 3d6a h GLN 381 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d6a h GLN 381 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3d6a h GLN 381 CO 0.03 0.27 -0.02 0.00 -0.67 0.00 0.00 178.83 178.43 3d6a s THR 383 N -1.83 1.12 0.77 0.00 -4.23 -0.56 -1.44 115.64 109.46 3d6a s THR 383 Ca 0.16 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.10 3d6a s THR 383 Cb 0.14 -1.04 0.05 0.00 1.34 0.00 0.00 72.50 72.99 3d6a s THR 383 CO 0.01 0.36 1.09 0.42 -0.54 0.00 0.00 174.62 175.96 3d6a s THR 384 N 0.80 3.26 0.31 3.99 -4.23 0.05 -4.85 115.64 114.97 3d6a s THR 384 Ca -0.12 0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.84 3d6a s THR 384 Cb -0.15 -3.19 0.39 0.00 1.34 0.00 0.00 72.50 70.89 3d6a s THR 384 CO 0.02 -0.53 1.58 0.00 -0.54 0.00 0.00 174.62 175.15 3d6a h ALA 385 N -0.98 1.32 -0.88 3.99 0.00 -1.98 0.11 119.26 120.84 3d6a h ALA 385 Ca -0.46 0.32 -0.46 0.00 0.00 0.00 0.00 54.91 54.31 3d6a h ALA 385 Cb 1.26 0.53 -0.27 0.00 0.00 0.00 0.00 17.79 19.31 3d6a h ALA 385 CO 0.60 -0.62 0.58 -0.25 0.00 0.00 0.00 179.25 179.56 3d6a n ASP 386 N -5.43 3.73 -1.07 0.00 8.00 -1.26 -4.91 116.55 115.61 3d6a n ASP 386 Ca 0.25 -3.42 -0.09 0.00 0.71 0.00 0.00 54.79 52.24 3d6a n ASP 386 Cb 0.83 -0.80 -0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3d6a n ASP 386 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d6a n GLY 387 N -0.95 -0.00 3.84 0.44 0.00 0.39 -5.04 105.19 103.88 3d6a n GLY 387 Ca 0.53 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3d6a n GLY 387 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d6a s LYS 388 N -4.49 3.81 -0.03 1.61 2.20 -1.25 -4.87 119.74 116.73 3d6a s LYS 388 Ca 0.01 0.27 -0.19 0.00 -0.36 0.00 0.00 55.97 55.70 3d6a s LYS 388 Cb -0.00 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 3d6a s LYS 388 CO 0.01 0.69 0.53 -0.47 -0.36 0.00 0.00 175.35 175.75 3d6a s TYR 389 N -0.99 3.65 0.22 4.03 5.04 -1.26 -0.77 117.35 127.27 3d6a s TYR 389 Ca 0.21 1.08 0.00 0.00 -2.44 0.00 0.00 57.07 55.93 3d6a s TYR 389 Cb -0.15 -2.53 -0.05 0.00 0.35 0.00 0.00 41.96 39.58 3d6a s TYR 389 CO 0.11 0.37 0.09 1.52 -1.34 0.00 0.00 175.55 176.30 3d6a s TYR 390 N -0.19 1.31 -0.53 4.97 1.13 -0.52 -4.99 117.35 118.53 3d6a s TYR 390 Ca 0.28 -1.24 -0.11 0.00 -1.41 0.00 0.00 57.07 54.59 3d6a s TYR 390 Cb -0.17 -0.72 0.13 0.00 -1.10 0.00 0.00 41.96 40.10 3d6a s TYR 390 CO 0.15 -0.45 0.43 1.03 -2.51 0.00 0.00 175.55 174.20 3d6a s ARG 391 N -4.07 2.71 0.08 -3.49 0.52 -1.26 -4.68 118.95 108.77 3d6a s ARG 391 Ca 0.36 -1.86 0.23 0.00 -0.52 0.00 0.00 55.73 53.94 3d6a s ARG 391 Cb 0.07 -4.06 0.92 0.00 0.52 0.00 0.00 34.95 32.41 3d6a s ARG 391 CO 0.11 -1.24 1.71 -0.35 0.02 0.00 0.00 175.30 175.56 3d6a n PRO 392 N 4.83 0.08 -3.71 3.54 -0.04 -1.26 -4.78 135.00 133.66 3d6a n PRO 392 Ca -0.07 0.19 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 3d6a n PRO 392 Cb 0.41 -1.62 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 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 -3.48 -0.32 0.62 3.54 -1.08 -1.26 -5.05 116.67 109.64 3d6a s ASP 393 Ca 0.09 0.31 0.36 0.00 -0.52 0.00 0.00 52.55 52.79 3d6a s ASP 393 Cb 0.13 0.43 2.05 0.00 -1.46 0.00 0.00 42.92 44.06 3d6a s ASP 393 CO 0.43 -0.44 2.29 -0.07 0.52 0.00 0.00 175.17 177.90 3d6a h LEU 394 N 3.89 0.00 -1.01 -1.34 3.38 -2.01 -2.22 115.31 116.00 3d6a h LEU 394 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3d6a h LEU 394 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3d6a h LEU 394 CO 0.38 0.01 0.00 -1.13 0.09 0.00 0.00 178.44 177.78 3d6a h ASN 395 N 0.00 0.00 -3.89 -0.43 -1.24 -1.98 -3.43 115.58 104.61 3d6a h ASN 395 Ca -0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 3d6a h ASN 395 Cb 0.02 0.00 0.05 0.00 0.73 0.00 0.00 38.32 39.13 3d6a h ASN 395 CO 0.00 0.00 0.56 -0.36 -1.29 0.00 0.00 177.43 176.34 3d6a s PHE 396 N -3.50 3.13 0.82 0.67 0.40 -0.84 -0.83 117.98 117.83 3d6a s PHE 396 Ca 0.03 1.52 -0.11 0.00 -0.60 0.00 0.00 56.93 57.77 3d6a s PHE 396 Cb 0.08 -3.51 0.08 0.00 0.51 0.00 0.00 43.02 40.19 3d6a s PHE 396 CO 0.54 -1.46 1.09 -1.25 0.70 0.00 0.00 175.22 174.85 3d6a s PRO 397 N -1.94 1.88 0.19 0.24 0.04 -1.26 -4.65 135.00 129.50 3d6a s PRO 397 Ca 0.52 1.09 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 3d6a s PRO 397 Cb -0.35 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.45 3d6a s PRO 397 CO 0.46 -1.89 1.84 0.00 0.04 0.00 0.00 177.00 177.45 3d6a h ARG 398 N -1.30 0.90 -4.53 4.56 3.08 -1.95 -3.45 114.38 111.69 3d6a h ARG 398 Ca -0.45 -0.08 -0.22 0.00 0.07 0.00 0.00 59.98 59.30 3d6a h ARG 398 Cb 1.25 -0.19 -0.15 0.00 0.08 0.00 0.00 29.97 30.96 3d6a h ARG 398 CO 0.52 0.64 -0.64 -1.54 -1.07 0.00 0.00 179.97 177.87 3d6a s SER 399 N -5.89 0.48 0.05 7.04 1.04 -1.26 -4.87 113.70 110.29 3d6a s SER 399 Ca -0.13 -1.24 0.02 0.00 0.48 0.00 0.00 55.95 55.09 3d6a s SER 399 Cb 0.14 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 3d6a s SER 399 CO 0.77 -0.72 0.06 -0.76 0.98 0.00 0.00 173.24 173.58 3d6a s LEU 400 N -3.10 3.74 0.38 2.42 1.43 -1.26 -5.10 118.68 117.19 3d6a s LEU 400 Ca 0.27 0.00 -0.26 0.00 -1.03 0.00 0.00 54.13 53.11 3d6a s LEU 400 Cb 0.07 -2.35 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 3d6a s LEU 400 CO 0.04 0.21 1.13 -2.16 0.23 0.00 0.00 176.35 175.79 3d6a s PRO 401 N -2.14 4.17 0.16 1.29 0.04 -1.26 -4.96 135.00 132.31 3d6a s PRO 401 Ca 0.26 1.74 -0.33 0.00 0.04 0.00 0.00 61.00 62.71 3d6a s PRO 401 Cb -0.12 -2.72 -0.13 0.00 0.04 0.00 0.00 34.50 31.57 3d6a s PRO 401 CO 0.18 -0.19 1.62 0.54 0.04 0.00 0.00 177.00 179.19 3d6a n ARG 402 N 0.20 2.28 -4.03 4.56 1.74 -1.26 -4.98 116.66 115.17 3d6a n ARG 402 Ca 0.04 0.82 -0.08 0.00 -0.77 0.00 0.00 57.85 57.86 3d6a n ARG 402 Cb 0.47 -2.61 -0.11 0.00 -1.02 0.00 0.00 32.46 29.20 3d6a n ARG 402 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3d6a s ARG 403 N 1.06 0.45 0.66 5.56 3.52 -1.26 -4.92 118.95 124.01 3d6a s ARG 403 Ca 0.78 -0.90 -0.17 0.00 -0.13 0.00 0.00 55.73 55.32 3d6a s ARG 403 Cb -0.64 0.16 -0.00 0.00 -1.56 0.00 0.00 34.95 32.90 3d6a s ARG 403 CO 0.37 -0.08 1.20 0.45 -0.81 0.00 0.00 175.30 176.43 3d6a s SER 404 N -2.15 4.76 -0.17 -2.12 0.15 -1.26 -3.96 113.70 108.94 3d6a s SER 404 Ca -0.05 2.35 -0.01 0.00 0.70 0.00 0.00 55.95 58.94 3d6a s SER 404 Cb -0.02 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 3d6a s SER 404 CO -0.05 -1.88 0.13 -0.46 1.20 0.00 0.00 173.24 172.17 3d6a n ASN 405 N -2.14 -1.03 0.00 5.45 0.23 -1.26 -4.55 115.26 111.96 3d6a n ASN 405 Ca 0.13 -0.20 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 3d6a n ASN 405 Cb 0.50 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 3d6a n ASN 405 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d6a n GLY 406 N -0.69 1.48 0.00 4.83 0.00 -1.25 -4.33 105.19 105.23 3d6a n GLY 406 Ca -0.07 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3d6a n GLY 406 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d6a n ILE 407 N 0.00 0.00 0.27 -0.61 5.41 -1.26 -4.56 119.36 118.61 3d6a n ILE 407 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.89 3d6a n ILE 407 Cb 0.00 0.07 0.77 0.00 -0.71 0.00 0.00 39.64 39.77 3d6a n ILE 407 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 3d6a h LYS 408 N 0.00 0.00 0.00 0.38 2.10 -1.91 -2.31 116.57 114.83 3d6a h LYS 408 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3d6a h LYS 408 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3d6a h LYS 408 CO 0.00 0.09 0.00 -0.44 -2.00 0.00 0.00 179.45 177.10 3d6a h ASP 409 N 0.00 0.00 1.34 7.07 3.32 -1.87 -2.95 116.42 123.33 3d6a h ASP 409 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3d6a h ASP 409 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3d6a h ASP 409 CO 0.01 0.00 0.00 -0.26 -1.72 0.00 0.00 179.24 177.27 3d6a h PHE 410 N 0.00 0.00 -0.90 4.55 0.04 -1.66 -3.20 116.94 115.76 3d6a h PHE 410 Ca 0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3d6a h PHE 410 Cb 0.02 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 3d6a h PHE 410 CO 0.00 0.00 0.59 0.93 -0.60 0.00 0.00 178.31 179.23 3d6a h GLU 411 N 0.00 1.19 0.00 1.51 5.08 -1.74 -2.12 114.58 118.50 3d6a h GLU 411 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3d6a h GLU 411 Cb 0.67 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3d6a h GLU 411 CO 0.00 0.79 -0.53 0.09 -1.00 0.00 0.00 179.01 178.37 3d6a n ASN 412 N -4.45 0.52 -3.14 1.42 3.02 -1.23 -4.57 115.26 106.84 3d6a n ASN 412 Ca 0.10 -0.25 -0.21 0.00 -0.03 0.00 0.00 54.58 54.18 3d6a n ASN 412 Cb 0.02 0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.53 -0.09 -4.80 6.41 2.03 -0.85 -4.92 116.55 112.79 3d6a n ASP 413 Ca 0.05 -2.81 -0.34 0.00 0.52 0.00 0.00 54.79 52.22 3d6a n ASP 413 Cb 0.34 -0.35 -0.05 0.00 -0.72 0.00 0.00 41.12 40.34 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 3.95 0.83 -0.67 0.04 -0.89 -4.60 135.00 132.54 3d6a s PRO 414 Ca 0.35 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 3d6a s PRO 414 Cb 0.20 -2.13 0.09 0.00 0.04 0.00 0.00 34.50 32.70 3d6a s PRO 414 CO -0.12 -0.29 1.16 -1.25 0.04 0.00 0.00 177.00 176.54 3d6a s PRO 415 N -3.20 1.76 0.56 0.56 0.04 -1.26 -3.76 135.00 129.70 3d6a s PRO 415 Ca 0.65 0.19 -0.21 0.00 0.04 0.00 0.00 61.00 61.67 3d6a s PRO 415 Cb -0.14 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 3d6a s PRO 415 CO 0.18 -1.75 1.29 1.28 0.04 0.00 0.00 177.00 178.04 3d6a n LEU 416 N -3.44 5.22 -4.92 -3.56 4.32 -1.26 -2.19 117.00 111.17 3d6a n LEU 416 Ca 0.07 0.95 -0.28 0.00 -0.02 0.00 0.00 56.01 56.73 3d6a n LEU 416 Cb 0.60 -1.54 0.11 0.00 -1.62 0.00 0.00 43.42 40.97 3d6a n LEU 416 CO 0.57 -0.81 0.77 -0.94 -1.22 0.00 0.00 177.39 175.76 3d6a s SER 417 N -0.98 4.19 0.21 -1.43 1.04 0.29 -4.54 113.70 112.47 3d6a s SER 417 Ca 0.73 0.52 -0.10 0.00 0.48 0.00 0.00 55.95 57.58 3d6a s SER 417 Cb -0.42 -0.92 0.20 0.00 0.10 0.00 0.00 66.02 64.98 3d6a s SER 417 CO 0.48 -2.06 1.85 0.28 0.98 0.00 0.00 173.24 174.77 3d6a h SER 418 N -1.10 0.72 -0.67 7.02 0.02 -1.25 -1.60 113.55 116.69 3d6a h SER 418 Ca -0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 3d6a h SER 418 Cb 1.30 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 3d6a h SER 418 CO 0.56 0.50 0.38 0.00 -1.14 0.00 0.00 176.83 177.13 3d6a h GLY 420 N 1.00 1.22 0.86 0.00 0.00 -1.43 0.09 103.07 104.80 3d6a h GLY 420 Ca 0.24 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3d6a h GLY 420 CO -0.04 0.63 -0.07 -2.22 0.00 0.00 0.00 176.54 174.84 3d6a h ILE 421 N 1.11 0.94 -0.68 2.60 2.04 -1.14 -0.96 117.51 121.43 3d6a h ILE 421 Ca 0.25 -0.31 0.14 0.00 1.00 0.00 0.00 64.86 65.94 3d6a h ILE 421 Cb 0.22 1.14 -0.12 0.00 -0.74 0.00 0.00 36.82 37.31 3d6a h ILE 421 CO -0.02 0.08 -0.08 0.15 0.00 0.00 0.00 178.15 178.28 3d6a h PHE 422 N -0.33 -0.19 -0.59 1.37 3.57 -1.10 0.35 116.94 120.01 3d6a h PHE 422 Ca -0.02 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3d6a h PHE 422 Cb 0.27 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3d6a h PHE 422 CO -0.02 -0.25 0.33 1.96 -2.23 0.00 0.00 178.31 178.10 3d6a h GLN 423 N 0.06 0.82 -0.51 1.11 4.20 -0.62 -0.78 115.11 119.37 3d6a h GLN 423 Ca 0.35 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.86 3d6a h GLN 423 Cb 0.57 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3d6a h GLN 423 CO -0.64 0.61 -0.10 0.00 -0.67 0.00 0.00 178.83 178.03 3d6a h ALA 424 N 1.16 0.70 -0.60 3.87 0.00 -0.67 -2.22 119.26 121.49 3d6a h ALA 424 Ca 0.21 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3d6a h ALA 424 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3d6a h ALA 424 CO -0.04 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.84 3d6a h ARG 425 N 0.84 1.05 -0.54 0.00 3.08 -0.77 -1.84 114.38 116.20 3d6a h ARG 425 Ca 0.13 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 3d6a h ARG 425 Cb 0.66 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3d6a h ARG 425 CO 0.05 1.01 0.09 1.25 -1.07 0.00 0.00 179.97 181.30 3d6a h LEU 426 N 0.96 0.85 -0.47 3.04 5.85 -1.00 -0.54 115.31 123.99 3d6a h LEU 426 Ca 0.18 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 3d6a h LEU 426 Cb 0.53 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3d6a h LEU 426 CO 0.03 0.89 -0.11 0.00 -0.34 0.00 0.00 178.44 178.91 3d6a h ALA 427 N 0.99 0.65 -0.60 1.25 0.00 -1.33 -1.42 119.26 118.79 3d6a h ALA 427 Ca 0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3d6a h ALA 427 Cb 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3d6a h ALA 427 CO 0.01 0.54 0.24 0.78 0.00 0.00 0.00 179.25 180.83 3d6a h GLY 428 N 0.75 0.97 1.02 0.00 0.00 -1.16 -0.12 103.07 104.53 3d6a h GLY 428 Ca 0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3d6a h GLY 428 CO 0.05 0.50 0.37 -2.09 0.00 0.00 0.00 176.54 175.36 3d6a h GLU 429 N 0.84 1.07 -0.42 4.80 4.81 -1.08 -1.73 114.58 122.87 3d6a h GLU 429 Ca 0.20 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3d6a h GLU 429 Cb 0.20 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3d6a h GLU 429 CO -0.02 0.83 -0.10 0.00 -0.73 0.00 0.00 179.01 178.99 3d6a h ALA 430 N 1.19 1.03 -0.69 2.92 0.00 -1.01 -1.92 119.26 120.78 3d6a h ALA 430 Ca 0.26 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3d6a h ALA 430 Cb 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3d6a h ALA 430 CO -0.03 0.59 0.41 -0.07 0.00 0.00 0.00 179.25 180.14 3d6a h LEU 431 N 0.68 0.64 -0.11 0.00 3.38 -0.65 -0.84 115.31 118.40 3d6a h LEU 431 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3d6a h LEU 431 Cb 0.57 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3d6a h LEU 431 CO 0.04 0.43 0.05 0.25 0.09 0.00 0.00 178.44 179.29 3d6a h LEU 432 N 0.77 0.15 -1.10 1.67 5.85 -1.13 -2.96 115.31 118.56 3d6a h LEU 432 Ca 0.29 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.98 3d6a h LEU 432 Cb 0.11 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3d6a h LEU 432 CO -0.15 0.25 0.61 0.44 -0.34 0.00 0.00 178.44 179.25 3d6a h ASP 433 N 0.04 0.87 0.19 1.25 3.32 -1.17 -2.21 116.42 118.72 3d6a h ASP 433 Ca 0.04 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3d6a h ASP 433 Cb 0.14 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3d6a h ASP 433 CO -0.00 0.49 -0.02 0.77 -1.72 0.00 0.00 179.24 178.75 3d6a h SER 434 N 0.95 0.00 0.00 6.45 4.64 -0.98 -3.46 113.55 121.14 3d6a h SER 434 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3d6a h SER 434 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3d6a h SER 434 CO -0.22 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.37 3d6a n GLY 435 N -0.93 0.59 3.79 -0.77 0.00 -0.83 -5.03 105.19 102.01 3d6a n GLY 435 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.38 3.67 -0.51 1.61 -7.23 -1.25 -4.99 120.40 109.32 3d6a s VAL 436 Ca 0.00 0.96 -0.19 0.00 -1.81 0.00 0.00 61.98 60.94 3d6a s VAL 436 Cb 0.00 -3.39 0.06 0.00 0.56 0.00 0.00 36.38 33.60 3d6a s VAL 436 CO 0.00 -0.30 0.64 -0.60 -0.31 0.00 0.00 175.10 174.53 3d6a s ARG 437 N -3.49 3.13 -0.02 4.82 3.52 -1.26 -4.89 118.95 120.76 3d6a s ARG 437 Ca 0.67 -0.87 -0.26 0.00 -0.13 0.00 0.00 55.73 55.14 3d6a s ARG 437 Cb -0.18 -4.10 -0.04 0.00 -1.56 0.00 0.00 34.95 29.08 3d6a s ARG 437 CO 0.26 -1.24 0.80 0.08 -0.81 0.00 0.00 175.30 174.39 3d6a s VAL 438 N 2.68 4.91 -0.03 7.11 1.01 -1.26 -0.67 120.40 134.15 3d6a s VAL 438 Ca 0.16 1.67 0.03 0.00 0.00 0.00 0.00 61.98 63.84 3d6a s VAL 438 Cb -0.19 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3d6a s VAL 438 CO 0.12 0.25 0.03 1.07 0.00 0.00 0.00 175.10 176.57 3d6a n THR 439 N 3.56 0.19 -3.49 3.92 5.66 0.67 -4.85 114.28 119.93 3d6a n THR 439 Ca 0.01 -0.14 -0.14 0.00 -3.05 0.00 0.00 64.05 60.73 3d6a n THR 439 Cb 0.51 -0.59 -0.04 0.00 -1.55 0.00 0.00 70.33 68.66 3d6a n THR 439 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3d6a s ALA 440 N -2.13 -1.57 -0.07 1.79 0.00 -1.22 -5.01 121.76 113.55 3d6a s ALA 440 Ca -0.02 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 3d6a s ALA 440 Cb 0.01 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.65 3d6a s ALA 440 CO 0.15 -0.58 -0.01 0.08 0.00 0.00 0.00 175.76 175.40 3d6a s VAL 441 N -2.66 0.43 -0.05 0.00 1.01 -1.26 -0.74 120.40 117.14 3d6a s VAL 441 Ca -0.04 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3d6a s VAL 441 Cb -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 3d6a s VAL 441 CO -0.03 0.26 -0.12 -0.36 0.00 0.00 0.00 175.10 174.84 3d6a s PHE 442 N 1.75 2.76 0.01 5.22 0.40 0.96 -1.32 117.98 127.77 3d6a s PHE 442 Ca 0.02 -0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 3d6a s PHE 442 Cb -0.13 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 3d6a s PHE 442 CO -0.04 0.23 -0.05 0.00 0.70 0.00 0.00 175.22 176.05 3d6a s ALA 443 N -0.76 0.40 0.63 5.36 0.00 -0.54 -0.41 121.76 126.44 3d6a s ALA 443 Ca 0.12 -0.42 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 3d6a s ALA 443 Cb -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3d6a s ALA 443 CO 0.01 0.02 1.31 0.45 0.00 0.00 0.00 175.76 177.55 3d6a s SER 444 N -0.74 4.69 0.07 0.00 0.15 -0.62 -0.06 113.70 117.19 3d6a s SER 444 Ca -0.04 2.66 0.16 0.00 0.70 0.00 0.00 55.95 59.42 3d6a s SER 444 Cb -0.05 -2.62 0.67 0.00 -1.71 0.00 0.00 66.02 62.31 3d6a s SER 444 CO -0.00 -1.95 1.49 -0.81 1.20 0.00 0.00 173.24 173.17 3d6a n PRO 445 N -1.78 0.05 -1.67 5.44 -0.04 -1.26 -4.03 135.00 131.71 3d6a n PRO 445 Ca 0.15 0.32 -0.47 0.00 -0.04 0.00 0.00 63.50 63.45 3d6a n PRO 445 Cb 0.48 -1.60 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.57 1.02 -0.29 0.55 0.00 -1.26 -4.62 120.51 114.34 3d6a n ALA 446 Ca 0.03 0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.92 3d6a n ALA 446 Cb 0.17 -2.36 0.12 0.00 0.00 0.00 0.00 19.45 17.38 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 6.51 -0.70 -1.55 0.00 5.85 -1.85 -0.87 115.31 122.70 3d6a h LEU 447 Ca -0.46 0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.62 3d6a h LEU 447 Cb 1.27 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.74 3d6a h LEU 447 CO 0.89 -0.27 0.46 0.08 -0.34 0.00 0.00 178.44 179.27 3d6a h ARG 448 N 0.01 0.47 0.06 1.25 0.11 -1.90 0.70 114.38 115.09 3d6a h ARG 448 Ca 0.41 -0.03 -0.22 0.00 0.10 0.00 0.00 59.98 60.24 3d6a h ARG 448 Cb 0.65 -0.11 0.02 0.00 1.11 0.00 0.00 29.97 31.65 3d6a h ARG 448 CO -0.83 0.31 -0.91 0.00 0.10 0.00 0.00 179.97 178.64 3d6a h VAL 450 N 0.06 1.27 -0.22 0.00 2.07 -0.80 -0.77 116.25 117.87 3d6a h VAL 450 Ca -0.13 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 3d6a h VAL 450 Cb 1.62 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3d6a h VAL 450 CO 0.18 0.48 0.08 1.56 0.02 0.00 0.00 177.57 179.88 3d6a h GLN 451 N 0.78 0.33 -0.46 1.57 4.20 -0.95 -1.44 115.11 119.13 3d6a h GLN 451 Ca 0.10 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.82 3d6a h GLN 451 Cb 0.81 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.47 3d6a h GLN 451 CO 0.07 0.41 0.08 1.15 -0.67 0.00 0.00 178.83 179.87 3d6a h THR 452 N 0.19 0.73 -0.27 -0.54 2.02 -1.03 -1.94 112.91 112.07 3d6a h THR 452 Ca 0.07 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.22 3d6a h THR 452 Cb 0.21 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 3d6a h THR 452 CO -0.00 0.04 0.05 0.00 0.37 0.00 0.00 175.52 175.98 3d6a h ALA 453 N 1.37 0.28 -0.52 6.16 0.00 -0.99 -1.56 119.26 124.00 3d6a h ALA 453 Ca 0.23 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.28 3d6a h ALA 453 Cb 0.31 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3d6a h ALA 453 CO -0.31 -0.36 0.10 -0.22 0.00 0.00 0.00 179.25 178.45 3d6a h LYS 454 N 0.15 0.22 -0.08 0.00 3.64 -0.92 0.86 116.57 120.45 3d6a h LYS 454 Ca 0.12 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.29 3d6a h LYS 454 Cb 0.13 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3d6a h LYS 454 CO -0.16 0.15 -0.77 0.45 -2.27 0.00 0.00 179.45 176.84 3d6a h HIS 455 N 0.23 0.64 0.11 1.91 3.86 -1.09 -0.02 115.15 120.80 3d6a h HIS 455 Ca 0.26 -0.29 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3d6a h HIS 455 Cb 0.36 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3d6a h HIS 455 CO -0.24 1.07 -0.05 0.82 0.86 0.00 0.00 177.93 180.39 3d6a h ILE 456 N 0.31 0.90 -0.39 2.45 2.04 -1.11 -3.04 117.51 118.67 3d6a h ILE 456 Ca -0.04 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3d6a h ILE 456 Cb 1.37 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 3d6a h ILE 456 CO 0.14 0.01 0.22 -0.07 0.00 0.00 0.00 178.15 178.44 3d6a h LEU 457 N -0.16 0.46 -0.74 1.44 3.38 -0.48 -2.18 115.31 117.03 3d6a h LEU 457 Ca -0.02 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3d6a h LEU 457 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3d6a h LEU 457 CO 0.02 0.37 -0.04 -0.33 0.09 0.00 0.00 178.44 178.56 3d6a h GLU 458 N 0.53 0.92 0.00 1.13 5.08 -0.98 0.93 114.58 122.20 3d6a h GLU 458 Ca 0.14 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3d6a h GLU 458 Cb 0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3d6a h GLU 458 CO -0.02 0.94 -0.11 0.93 -1.00 0.00 0.00 179.01 179.75 3d6a h GLU 459 N 0.84 0.00 0.00 2.33 4.39 -1.36 -2.39 114.58 118.39 3d6a h GLU 459 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3d6a h GLU 459 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3d6a h GLU 459 CO 0.03 0.00 0.00 -0.07 -1.16 0.00 0.00 179.01 177.81 3d6a h LEU 460 N 0.00 0.00 0.69 1.33 -0.00 -1.29 -3.39 115.31 112.65 3d6a h LEU 460 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.61 3d6a h LEU 460 Cb 1.00 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.69 3d6a h LEU 460 CO 0.00 0.00 -0.39 0.29 -0.00 0.00 0.00 178.44 178.34 3d6a n LYS 461 N -2.31 -2.89 0.00 1.13 5.02 -0.90 -4.96 118.16 113.25 3d6a n LYS 461 Ca 0.04 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 3d6a n LYS 461 Cb 0.35 -4.82 0.00 0.00 -0.02 0.00 0.00 35.03 30.54 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 -2.61 1.74 0.16 -0.35 4.77 0.29 -4.76 117.00 116.24 3d6a n LEU 462 Ca -0.09 -1.74 0.02 0.00 -0.03 0.00 0.00 56.01 54.17 3d6a n LEU 462 Cb 0.59 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 42.03 3d6a n LEU 462 CO 0.29 0.43 0.77 1.05 -1.33 0.00 0.00 177.39 178.60 3d6a h GLU 463 N 0.00 0.10 0.00 3.23 9.09 -1.76 0.20 114.58 125.44 3d6a h GLU 463 Ca 0.00 -0.03 -0.11 0.00 0.05 0.00 0.00 59.36 59.26 3d6a h GLU 463 Cb 0.41 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.49 3d6a h GLU 463 CO 0.00 0.40 -0.55 0.87 0.05 0.00 0.00 179.01 179.78 3d6a h LYS 464 N 0.09 0.00 0.01 1.06 1.79 -1.90 -3.39 116.57 114.23 3d6a h LYS 464 Ca 0.01 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.08 3d6a h LYS 464 Cb 0.58 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.17 3d6a h LYS 464 CO 0.04 0.55 -2.41 1.63 -1.08 0.00 0.00 179.45 178.18 3d6a n LYS 465 N -3.34 0.64 -3.71 3.15 5.02 -0.82 -4.93 118.16 114.17 3d6a n LYS 465 Ca 0.01 0.21 -0.37 0.00 -2.02 0.00 0.00 58.31 56.15 3d6a n LYS 465 Cb 0.70 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 3d6a n LYS 465 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3d6a s LEU 466 N -6.94 4.35 -0.02 -0.35 1.43 0.65 -5.09 118.68 112.71 3d6a s LEU 466 Ca -0.35 0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3d6a s LEU 466 Cb 0.11 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 3d6a s LEU 466 CO 0.58 0.30 0.17 -0.54 0.23 0.00 0.00 176.35 177.09 3d6a s LYS 467 N -0.55 3.42 -0.14 1.70 1.02 -1.26 -4.68 119.74 119.26 3d6a s LYS 467 Ca 0.16 -0.30 -0.23 0.00 0.02 0.00 0.00 55.97 55.62 3d6a s LYS 467 Cb -0.13 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 3d6a s LYS 467 CO 0.05 0.69 0.72 0.42 -0.92 0.00 0.00 175.35 176.31 3d6a s ILE 468 N -1.28 4.99 -0.53 2.17 1.01 -0.01 -4.49 121.20 123.06 3d6a s ILE 468 Ca 0.25 1.42 -0.18 0.00 0.00 0.00 0.00 60.65 62.14 3d6a s ILE 468 Cb -0.12 -4.04 0.08 0.00 0.01 0.00 0.00 42.46 38.39 3d6a s ILE 468 CO 0.16 0.14 0.61 -0.13 0.00 0.00 0.00 174.94 175.72 3d6a s ARG 469 N 1.57 3.07 -0.20 2.79 0.52 -0.43 -0.55 118.95 125.71 3d6a s ARG 469 Ca 0.35 -1.16 -0.29 0.00 -0.52 0.00 0.00 55.73 54.11 3d6a s ARG 469 Cb -0.17 -4.17 -0.02 0.00 0.52 0.00 0.00 34.95 31.11 3d6a s ARG 469 CO 0.14 -1.31 1.38 0.08 0.02 0.00 0.00 175.30 175.61 3d6a s VAL 470 N 2.43 4.06 -0.34 3.52 1.01 -1.26 -1.46 120.40 128.35 3d6a s VAL 470 Ca 0.11 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.36 3d6a s VAL 470 Cb -0.22 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.32 3d6a s VAL 470 CO 0.09 -0.26 0.08 -0.70 0.00 0.00 0.00 175.10 174.31 3d6a s GLU 471 N 3.97 1.25 0.65 2.72 2.56 0.91 -4.72 118.70 126.04 3d6a s GLU 471 Ca 0.60 -1.66 0.42 0.00 0.00 0.00 0.00 54.97 54.34 3d6a s GLU 471 Cb -0.22 -2.79 2.27 0.00 2.00 0.00 0.00 34.13 35.39 3d6a s GLU 471 CO 0.21 -0.97 2.32 -1.35 -0.56 0.00 0.00 175.26 174.91 3d6a h PRO 472 N 7.68 0.00 0.00 4.30 0.11 -1.82 -2.24 132.00 140.03 3d6a h PRO 472 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3d6a h PRO 472 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3d6a h PRO 472 CO 0.51 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.08 3d6a h GLY 473 N 0.26 0.00 -1.47 -0.55 0.00 -1.91 -2.30 103.07 97.10 3d6a h GLY 473 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d6a h GLY 473 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 3d6a n ILE 474 N -2.96 2.26 -0.79 2.60 -5.35 -0.84 -4.31 119.36 109.96 3d6a n ILE 474 Ca -0.02 -1.91 -0.30 0.00 -0.27 0.00 0.00 62.75 60.24 3d6a n ILE 474 Cb 0.13 -0.26 0.17 0.00 -1.74 0.00 0.00 39.64 37.94 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 -2.84 1.77 0.94 4.28 5.36 -0.87 -4.57 117.98 122.05 3d6a s PHE 475 Ca 0.41 1.60 -0.11 0.00 -0.96 0.00 0.00 56.93 57.87 3d6a s PHE 475 Cb 0.34 -3.24 0.16 0.00 -0.34 0.00 0.00 43.02 39.94 3d6a s PHE 475 CO 0.08 -2.83 1.11 -1.83 -1.46 0.00 0.00 175.22 170.29 3d6a s GLU 476 N -4.68 0.87 -0.16 10.12 -1.05 -1.26 -4.92 118.70 117.62 3d6a s GLU 476 Ca 0.66 1.27 -0.29 0.00 -0.15 0.00 0.00 54.97 56.46 3d6a s GLU 476 Cb -0.22 -1.73 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 3d6a s GLU 476 CO 0.59 -2.64 1.67 -0.46 0.95 0.00 0.00 175.26 175.37 3d6a s TRP 477 N -2.69 1.99 -1.45 4.83 -0.00 -1.26 -4.91 118.94 115.45 3d6a s TRP 477 Ca 0.66 0.41 -0.13 0.00 -0.00 0.00 0.00 56.10 57.05 3d6a s TRP 477 Cb -0.22 -3.96 0.04 0.00 -0.00 0.00 0.00 33.47 29.34 3d6a s TRP 477 CO 0.59 -3.34 2.28 -1.33 -0.00 0.00 0.00 176.95 175.14 3d6a n MET 478 N 7.55 3.10 0.09 5.86 2.81 -1.26 -4.74 117.12 130.52 3d6a n MET 478 Ca 0.19 -2.69 -0.07 0.00 -1.81 0.00 0.00 57.70 53.32 3d6a n MET 478 Cb 0.44 -3.17 -0.04 0.00 -0.71 0.00 0.00 33.22 29.75 3d6a n MET 478 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3d6a h LYS 479 N 5.81 -0.35 -6.31 0.03 1.57 -1.85 -3.18 116.57 112.30 3d6a h LYS 479 Ca 0.59 0.02 -0.64 0.00 -1.87 0.00 0.00 60.65 58.75 3d6a h LYS 479 Cb 0.59 0.08 0.10 0.00 0.08 0.00 0.00 32.23 33.07 3d6a h LYS 479 CO 1.83 -0.23 0.04 -2.67 -0.57 0.00 0.00 179.45 177.86 3d6a n TRP 480 N -3.61 0.89 -2.71 -1.35 4.27 -1.26 -4.67 117.44 108.99 3d6a n TRP 480 Ca -0.04 0.77 -0.43 0.00 -3.89 0.00 0.00 57.50 53.91 3d6a n TRP 480 Cb 0.18 -2.19 -0.03 0.00 -1.36 0.00 0.00 31.31 27.90 3d6a n TRP 480 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 3d6a s GLU 481 N -0.95 3.42 0.08 -2.67 2.02 -1.26 -4.74 118.70 114.60 3d6a s GLU 481 Ca 0.66 -0.00 -0.12 0.00 0.02 0.00 0.00 54.97 55.53 3d6a s GLU 481 Cb -0.83 -4.03 0.01 0.00 0.10 0.00 0.00 34.13 29.39 3d6a s GLU 481 CO 0.56 -1.57 0.28 0.00 0.02 0.00 0.00 175.26 174.55 3d6a s ALA 482 N 4.43 -0.55 0.56 5.21 0.00 -1.26 -5.14 121.76 125.01 3d6a s ALA 482 Ca 0.37 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 3d6a s ALA 482 Cb -0.10 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 3d6a s ALA 482 CO 0.22 -0.51 1.25 -1.54 0.00 0.00 0.00 175.76 175.19 3d6a s SER 483 N -2.59 5.35 0.54 0.00 1.04 -1.26 -4.72 113.70 112.06 3d6a s SER 483 Ca 0.01 2.51 0.21 0.00 0.48 0.00 0.00 55.95 59.17 3d6a s SER 483 Cb 0.02 -2.61 1.40 0.00 0.10 0.00 0.00 66.02 64.93 3d6a s SER 483 CO -0.09 -1.49 2.11 0.50 0.98 0.00 0.00 173.24 175.25 3d6a h LYS 484 N 1.26 0.00 -0.30 4.02 3.64 -1.97 0.85 116.57 124.07 3d6a h LYS 484 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3d6a h LYS 484 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3d6a h LYS 484 CO 0.57 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 3d6a n ALA 485 N -2.53 2.52 -0.21 5.00 0.00 -1.26 -4.11 120.51 119.92 3d6a n ALA 485 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3d6a n ALA 485 Cb 0.26 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3d6a n ALA 485 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3d6a n THR 486 N 0.15 0.00 -2.73 0.00 -1.04 0.29 -4.81 114.28 106.14 3d6a n THR 486 Ca 0.08 1.01 -0.41 0.00 -2.04 0.00 0.00 64.05 62.69 3d6a n THR 486 Cb 0.23 -1.93 -0.04 0.00 -1.82 0.00 0.00 70.33 66.76 3d6a n THR 486 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3d6a s LEU 487 N -3.38 4.50 -0.00 -4.42 0.20 -1.26 -4.98 118.68 109.34 3d6a s LEU 487 Ca 0.00 1.79 0.04 0.00 0.69 0.00 0.00 54.13 56.65 3d6a s LEU 487 Cb 0.00 -3.59 -0.01 0.00 -0.43 0.00 0.00 46.19 42.16 3d6a s LEU 487 CO 0.00 -0.06 -0.11 0.42 -0.29 0.00 0.00 176.35 176.30 3d6a s THR 488 N -0.02 0.90 0.24 3.68 -4.23 -1.26 -5.06 115.64 109.89 3d6a s THR 488 Ca 0.47 -0.54 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 3d6a s THR 488 Cb -0.23 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 3d6a s THR 488 CO 0.30 0.22 0.06 -0.36 -0.54 0.00 0.00 174.62 174.29 3d6a s PHE 489 N -0.34 2.85 0.35 3.99 0.08 -1.26 -4.72 117.98 118.93 3d6a s PHE 489 Ca 0.04 -0.17 -0.29 0.00 0.12 0.00 0.00 56.93 56.63 3d6a s PHE 489 Cb -0.05 -1.29 -0.11 0.00 -0.57 0.00 0.00 43.02 41.00 3d6a s PHE 489 CO -0.00 0.57 1.49 -0.51 -0.10 0.00 0.00 175.22 176.67 3d6a s LEU 490 N -3.59 4.34 0.79 -0.37 1.02 -1.26 -5.01 118.68 114.60 3d6a s LEU 490 Ca 0.31 2.97 -0.12 0.00 0.02 0.00 0.00 54.13 57.32 3d6a s LEU 490 Cb -0.07 -3.66 0.07 0.00 0.02 0.00 0.00 46.19 42.55 3d6a s LEU 490 CO 0.21 -0.84 1.10 0.42 0.02 0.00 0.00 176.35 177.26 3d6a s THR 491 N -0.79 3.03 0.22 5.49 -4.23 -1.26 -4.80 115.64 113.30 3d6a s THR 491 Ca 0.55 0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 61.31 3d6a s THR 491 Cb -0.46 -3.11 0.16 0.00 1.34 0.00 0.00 72.50 70.44 3d6a s THR 491 CO 0.57 -0.44 1.82 -0.07 -0.54 0.00 0.00 174.62 175.97 3d6a h LEU 492 N -1.07 0.65 -0.51 4.79 4.07 -1.98 0.95 115.31 122.21 3d6a h LEU 492 Ca -0.47 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.47 3d6a h LEU 492 Cb 1.27 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 3d6a h LEU 492 CO 0.60 0.42 0.15 1.05 -1.08 0.00 0.00 178.44 179.59 3d6a h GLU 493 N 0.79 0.80 -0.65 1.13 9.09 -1.98 0.10 114.58 123.86 3d6a h GLU 493 Ca 0.32 -0.18 0.02 0.00 0.05 0.00 0.00 59.36 59.58 3d6a h GLU 493 Cb 0.17 -0.11 -0.04 0.00 -1.65 0.00 0.00 28.75 27.11 3d6a h GLU 493 CO -0.17 0.75 0.41 0.93 0.05 0.00 0.00 179.01 180.98 3d6a h GLU 494 N 0.70 0.79 -0.75 1.06 5.08 -1.80 0.35 114.58 120.02 3d6a h GLU 494 Ca 0.16 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3d6a h GLU 494 Cb 0.29 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3d6a h GLU 494 CO -0.00 0.52 0.25 -0.07 -1.00 0.00 0.00 179.01 178.71 3d6a h LEU 495 N 0.82 1.08 -0.53 1.33 3.38 -0.53 -1.66 115.31 119.19 3d6a h LEU 495 Ca 0.26 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3d6a h LEU 495 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3d6a h LEU 495 CO -0.09 0.99 0.10 0.11 0.09 0.00 0.00 178.44 179.64 3d6a h LYS 496 N 1.11 0.88 -0.23 1.13 1.79 -0.26 -0.89 116.57 120.10 3d6a h LYS 496 Ca 0.24 -0.23 0.06 0.00 -2.18 0.00 0.00 60.65 58.54 3d6a h LYS 496 Cb 0.29 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3d6a h LYS 496 CO -0.01 0.85 0.16 0.93 -1.08 0.00 0.00 179.45 180.30 3d6a h GLU 497 N 0.77 0.05 -0.65 3.15 5.08 -0.01 -2.53 114.58 120.44 3d6a h GLU 497 Ca 0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3d6a h GLU 497 Cb 0.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3d6a h GLU 497 CO 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 3d6a n ALA 498 N -2.57 3.38 -1.27 3.43 0.00 -0.65 -4.91 120.51 117.91 3d6a n ALA 498 Ca 0.02 -1.44 -0.02 0.00 0.00 0.00 0.00 53.44 52.00 3d6a n ALA 498 Cb 0.27 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 0.65 -2.91 -4.75 0.00 5.15 -0.95 -5.04 115.26 107.40 3d6a n ASN 499 Ca 0.22 0.04 -0.38 0.00 -0.60 0.00 0.00 54.58 53.87 3d6a n ASN 499 Cb 0.91 -0.99 -0.06 0.00 -0.53 0.00 0.00 39.78 39.11 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 -2.09 3.57 -1.34 1.20 0.08 -0.37 -5.00 117.98 114.04 3d6a s PHE 500 Ca 0.00 0.91 -0.09 0.00 0.12 0.00 0.00 56.93 57.87 3d6a s PHE 500 Cb 0.00 -2.48 0.12 0.00 -0.57 0.00 0.00 43.02 40.09 3d6a s PHE 500 CO 0.00 0.30 2.10 -1.71 -0.10 0.00 0.00 175.22 175.80 3d6a n ASN 501 N 3.17 5.75 -4.84 1.36 5.15 -1.26 -3.90 115.26 120.69 3d6a n ASN 501 Ca -0.09 -3.05 -0.32 0.00 -0.60 0.00 0.00 54.58 50.52 3d6a n ASN 501 Cb 0.52 -1.48 -0.04 0.00 -0.53 0.00 0.00 39.78 38.24 3d6a n ASN 501 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3d6a s VAL 502 N 0.56 4.54 -0.62 3.44 -7.23 -1.26 -0.83 120.40 118.99 3d6a s VAL 502 Ca 0.45 1.20 -0.22 0.00 -1.81 0.00 0.00 61.98 61.60 3d6a s VAL 502 Cb 0.13 -3.69 0.07 0.00 0.56 0.00 0.00 36.38 33.45 3d6a s VAL 502 CO -0.03 -0.56 0.88 -0.62 -0.31 0.00 0.00 175.10 174.46 3d6a s ASP 503 N -2.84 6.20 0.51 4.85 -1.08 0.29 -4.71 116.67 119.89 3d6a s ASP 503 Ca 0.58 -0.96 0.30 0.00 -0.52 0.00 0.00 52.55 51.95 3d6a s ASP 503 Cb -0.10 -2.39 1.04 0.00 -1.46 0.00 0.00 42.92 40.02 3d6a s ASP 503 CO 0.26 -1.30 1.86 -0.07 0.52 0.00 0.00 175.17 176.45 3d6a h LEU 504 N 10.90 0.00 -1.37 -1.34 3.38 -1.95 -2.94 115.31 121.99 3d6a h LEU 504 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3d6a h LEU 504 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3d6a h LEU 504 CO 1.13 0.00 -0.00 0.47 0.09 0.00 0.00 178.44 180.13 3d6a n ASP 505 N -3.06 2.13 -4.72 -0.43 8.00 -1.26 -4.92 116.55 112.29 3d6a n ASP 505 Ca 0.02 -1.70 -0.42 0.00 0.71 0.00 0.00 54.79 53.40 3d6a n ASP 505 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.01 3.53 -0.40 1.24 5.04 -1.11 -5.03 117.35 118.61 3d6a s TYR 506 Ca 0.34 1.46 -0.11 0.00 -2.44 0.00 0.00 57.07 56.32 3d6a s TYR 506 Cb 0.21 -3.32 0.05 0.00 0.35 0.00 0.00 41.96 39.24 3d6a s TYR 506 CO 0.32 -0.84 0.24 -0.98 -1.34 0.00 0.00 175.55 172.95 3d6a s ARG 507 N 0.61 2.75 0.67 4.97 3.03 -1.26 -5.04 118.95 124.68 3d6a s ARG 507 Ca 0.55 -1.24 -0.17 0.00 2.03 0.00 0.00 55.73 56.89 3d6a s ARG 507 Cb -0.28 -3.78 0.00 0.00 -1.03 0.00 0.00 34.95 29.86 3d6a s ARG 507 CO 0.31 -0.82 1.28 -0.35 -1.13 0.00 0.00 175.30 174.58 3d6a n PRO 508 N 4.99 0.98 -0.09 3.89 -0.04 -1.26 -4.92 135.00 138.54 3d6a n PRO 508 Ca -0.11 0.39 -0.05 0.00 -0.04 0.00 0.00 63.50 63.69 3d6a n PRO 508 Cb 0.45 -2.51 0.14 0.00 -0.04 0.00 0.00 33.50 31.53 3d6a n PRO 508 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d6a h ALA 509 N 0.32 1.02 -3.45 0.55 0.00 -1.93 -3.38 119.26 112.39 3d6a h ALA 509 Ca -0.50 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 53.52 3d6a h ALA 509 Cb 1.34 -0.17 -0.38 0.00 0.00 0.00 0.00 17.79 18.57 3d6a h ALA 509 CO 0.52 0.59 -0.79 -1.17 0.00 0.00 0.00 179.25 178.40 3d6a s LEU 510 N -9.03 1.98 0.59 0.00 2.96 -1.26 -4.98 118.68 108.94 3d6a s LEU 510 Ca -0.09 -0.92 -0.19 0.00 -0.22 0.00 0.00 54.13 52.70 3d6a s LEU 510 Cb 0.14 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 3d6a s LEU 510 CO 0.82 -0.23 1.08 -2.65 -1.32 0.00 0.00 176.35 174.05 3d6a n PRO 511 N 4.81 1.07 0.25 0.98 -0.02 -1.26 -3.76 135.00 137.06 3d6a n PRO 511 Ca -0.12 0.41 0.10 0.00 -2.02 0.00 0.00 63.50 61.87 3d6a n PRO 511 Cb 0.46 -2.28 0.65 0.00 -0.02 0.00 0.00 33.50 32.31 3d6a n PRO 511 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3d6a h ARG 512 N 0.68 0.00 0.00 -0.52 0.11 -1.98 -1.58 114.38 111.09 3d6a h ARG 512 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3d6a h ARG 512 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 3d6a h ARG 512 CO 0.52 0.13 0.00 0.00 0.10 0.00 0.00 179.97 180.72 3d6a n SER 514 N -1.36 1.58 -4.65 0.00 7.64 -0.59 -4.89 113.62 111.35 3d6a n SER 514 Ca 0.09 -1.33 -0.43 0.00 1.01 0.00 0.00 58.87 58.21 3d6a n SER 514 Cb 0.21 0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.25 4.10 -0.36 -3.43 1.43 -1.14 -4.98 118.68 112.04 3d6a s LEU 515 Ca 0.29 1.88 -0.15 0.00 -1.03 0.00 0.00 54.13 55.11 3d6a s LEU 515 Cb 0.20 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.88 3d6a s LEU 515 CO 0.43 -1.07 0.35 0.00 0.23 0.00 0.00 176.35 176.30 3d6a s MET 516 N 4.28 3.42 0.50 1.70 0.23 -1.26 -4.95 119.30 123.22 3d6a s MET 516 Ca 0.70 -0.56 0.33 0.00 -1.03 0.00 0.00 55.69 55.13 3d6a s MET 516 Cb -0.28 -3.85 1.44 0.00 -1.53 0.00 0.00 34.83 30.62 3d6a s MET 516 CO 0.27 -0.59 1.97 -1.00 -2.03 0.00 0.00 175.02 173.65 3d6a h PRO 517 N 8.53 0.00 -3.85 3.16 0.13 -1.88 -3.24 132.00 134.85 3d6a h PRO 517 Ca -0.29 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 64.07 3d6a h PRO 517 Cb 1.14 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.07 3d6a h PRO 517 CO 0.71 0.00 1.36 0.00 -0.23 0.00 0.00 178.00 179.84 3d6a n ALA 518 N -2.01 4.65 -3.62 -0.56 0.00 -1.26 -4.50 120.51 113.21 3d6a n ALA 518 Ca 0.00 -4.42 -0.34 0.00 0.00 0.00 0.00 53.44 48.68 3d6a n ALA 518 Cb 0.24 -2.83 -0.15 0.00 0.00 0.00 0.00 19.45 16.72 3d6a n ALA 518 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3d6a s GLU 519 N 0.03 3.28 0.74 0.00 2.12 -1.20 -5.10 118.70 118.56 3d6a s GLU 519 Ca 0.38 -0.68 -0.08 0.00 0.36 0.00 0.00 54.97 54.94 3d6a s GLU 519 Cb 0.02 -2.86 0.07 0.00 0.26 0.00 0.00 34.13 31.62 3d6a s GLU 519 CO 0.01 -0.16 1.07 -1.54 -0.54 0.00 0.00 175.26 174.10 3d6a s SER 520 N 1.33 4.66 0.15 -1.70 1.04 -1.26 -4.40 113.70 113.52 3d6a s SER 520 Ca 0.04 0.53 -0.16 0.00 0.48 0.00 0.00 55.95 56.84 3d6a s SER 520 Cb -0.14 -1.11 0.04 0.00 0.10 0.00 0.00 66.02 64.90 3d6a s SER 520 CO -0.05 -1.73 1.79 0.22 0.98 0.00 0.00 173.24 174.45 3d6a h TYR 521 N -0.77 0.38 -0.68 5.02 3.20 -1.99 -2.22 116.97 119.92 3d6a h TYR 521 Ca -0.45 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.38 3d6a h TYR 521 Cb 1.32 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 3d6a h TYR 521 CO 0.27 0.22 0.19 -0.44 -1.64 0.00 0.00 178.16 176.76 3d6a h ASP 522 N 0.42 0.99 -0.53 -2.11 3.32 -2.00 -1.60 116.42 114.91 3d6a h ASP 522 Ca 0.15 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 3d6a h ASP 522 Cb 0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3d6a h ASP 522 CO -0.09 0.94 0.14 1.56 -1.72 0.00 0.00 179.24 180.08 3d6a h GLN 523 N 1.01 0.85 0.02 3.56 4.20 -1.92 -2.31 115.11 120.51 3d6a h GLN 523 Ca 0.22 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3d6a h GLN 523 Cb 0.32 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3d6a h GLN 523 CO -0.00 0.79 -0.01 -0.92 -0.67 0.00 0.00 178.83 178.02 3d6a h TYR 524 N 0.74 -0.02 -0.51 2.96 3.20 -1.01 -1.89 116.97 120.44 3d6a h TYR 524 Ca 0.17 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3d6a h TYR 524 Cb 0.32 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3d6a h TYR 524 CO 0.02 0.05 0.15 -0.39 -1.64 0.00 0.00 178.16 176.35 3d6a h VAL 525 N -0.09 1.21 -0.09 1.81 -1.51 -1.29 -1.75 116.25 114.54 3d6a h VAL 525 Ca -0.00 -0.72 -0.02 0.00 -1.23 0.00 0.00 66.70 64.73 3d6a h VAL 525 Cb 0.08 0.66 -0.00 0.00 -2.13 0.00 0.00 31.29 29.90 3d6a h VAL 525 CO 0.00 0.27 -0.01 -0.08 -1.23 0.00 0.00 177.57 176.53 3d6a h GLU 526 N 0.74 0.16 -0.51 5.19 4.57 -1.33 -2.31 114.58 121.10 3d6a h GLU 526 Ca 0.17 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 3d6a h GLU 526 Cb 0.23 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3d6a h GLU 526 CO -0.01 0.45 0.17 0.07 -1.18 0.00 0.00 179.01 178.51 3d6a h ARG 527 N -0.14 0.75 -0.63 1.92 0.11 -1.13 0.21 114.38 115.47 3d6a h ARG 527 Ca 0.02 -0.12 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 3d6a h ARG 527 Cb 0.38 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.30 3d6a h ARG 527 CO 0.01 0.65 0.29 0.00 0.10 0.00 0.00 179.97 181.01 3d6a h ALA 529 N 1.13 0.10 -0.28 0.00 0.00 -0.76 0.90 119.26 120.35 3d6a h ALA 529 Ca 0.21 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3d6a h ALA 529 Cb 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3d6a h ALA 529 CO -0.03 -0.34 0.05 0.28 0.00 0.00 0.00 179.25 179.21 3d6a h VAL 530 N -0.00 0.86 -0.44 0.00 2.07 -0.51 -1.17 116.25 117.06 3d6a h VAL 530 Ca 0.03 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3d6a h VAL 530 Cb 0.12 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3d6a h VAL 530 CO -0.00 0.03 0.27 0.28 0.02 0.00 0.00 177.57 178.17 3d6a h SER 531 N 0.15 0.45 -0.39 0.57 0.02 -0.61 -2.65 113.55 111.10 3d6a h SER 531 Ca 0.13 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 3d6a h SER 531 Cb 0.14 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3d6a h SER 531 CO -0.18 0.32 0.00 0.24 -1.14 0.00 0.00 176.83 176.08 3d6a h MET 532 N 0.55 0.77 -0.32 3.45 2.86 -0.61 -0.66 114.93 120.97 3d6a h MET 532 Ca 0.17 -0.20 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3d6a h MET 532 Cb -0.02 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.47 3d6a h MET 532 CO -0.06 0.78 -0.29 0.78 1.06 0.00 0.00 176.91 179.18 3d6a h GLY 533 N 0.96 -0.21 1.00 8.32 0.00 -0.94 -1.96 103.07 110.24 3d6a h GLY 533 Ca 0.14 0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.74 3d6a h GLY 533 CO 0.02 -0.21 -0.07 1.46 0.00 0.00 0.00 176.54 177.74 3d6a h GLN 534 N -0.26 0.83 -0.70 4.80 4.20 -1.21 -3.18 115.11 119.59 3d6a h GLN 534 Ca 0.16 -0.30 0.07 0.00 0.06 0.00 0.00 58.65 58.64 3d6a h GLN 534 Cb 0.51 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 3d6a h GLN 534 CO -0.47 0.92 0.38 0.82 -0.67 0.00 0.00 178.83 179.81 3d6a h ILE 535 N 0.66 0.92 0.00 2.54 2.04 -0.94 -1.95 117.51 120.79 3d6a h ILE 535 Ca 0.12 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3d6a h ILE 535 Cb 0.60 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3d6a h ILE 535 CO 0.04 0.12 0.00 2.30 0.00 0.00 0.00 178.15 180.61 3d6a n ILE 536 N -4.81 0.22 1.03 -0.67 -5.35 -0.75 -2.64 119.36 106.39 3d6a n ILE 536 Ca 0.10 0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.74 3d6a n ILE 536 Cb 0.22 -0.62 0.04 0.00 -1.74 0.00 0.00 39.64 37.53 3d6a n ILE 536 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3d6a n ASN 537 N -1.41 1.16 -0.29 7.28 4.13 -0.78 -4.34 115.26 121.00 3d6a n ASN 537 Ca 0.09 -0.97 -0.05 0.00 1.68 0.00 0.00 54.58 55.32 3d6a n ASN 537 Cb 0.26 0.63 0.07 0.00 -1.54 0.00 0.00 39.78 39.20 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 0.73 1.25 -2.06 3.41 2.02 -1.20 -3.37 112.91 113.69 3d6a h THR 538 Ca 0.00 -0.73 -0.29 0.00 0.77 0.00 0.00 66.41 66.16 3d6a h THR 538 Cb 0.56 0.26 -0.32 0.00 -1.74 0.00 0.00 68.15 66.92 3d6a h THR 538 CO 0.00 0.31 -0.61 0.00 0.37 0.00 0.00 175.52 175.59 3d6a n PRO 540 N 5.32 0.07 0.01 0.00 -0.04 -1.26 -3.55 135.00 135.55 3d6a n PRO 540 Ca -0.02 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 3d6a n PRO 540 Cb 0.47 -1.56 0.21 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.66 0.07 -2.07 0.54 1.13 -1.26 -4.95 117.38 109.18 3d6a n GLN 541 Ca 0.06 0.01 -0.40 0.00 -1.94 0.00 0.00 57.00 54.73 3d6a n GLN 541 Cb 0.36 -1.54 -0.01 0.00 0.11 0.00 0.00 30.24 29.16 3d6a n GLN 541 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3d6a s ASP 542 N -3.26 6.56 -0.21 1.08 1.11 -1.23 -4.97 116.67 115.75 3d6a s ASP 542 Ca 0.10 2.70 0.12 0.00 0.18 0.00 0.00 52.55 55.65 3d6a s ASP 542 Cb 0.17 -2.65 0.44 0.00 1.07 0.00 0.00 42.92 41.95 3d6a s ASP 542 CO 0.71 -0.68 1.20 0.23 1.18 0.00 0.00 175.17 177.81 3d6a n MET 543 N 0.50 1.94 0.00 8.23 2.81 -1.26 -4.67 117.12 124.67 3d6a n MET 543 Ca 0.02 -3.39 0.00 0.00 -1.81 0.00 0.00 57.70 52.51 3d6a n MET 543 Cb 0.42 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 -0.80 5.26 3.44 3.03 0.00 -1.26 -4.33 105.19 110.53 3d6a n GLY 544 Ca 0.23 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 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 1.92 3.66 -0.23 -0.61 1.01 0.15 -1.10 121.20 126.00 3d6a s ILE 545 Ca 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 3d6a s ILE 545 Cb 0.00 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 3d6a s ILE 545 CO 0.00 0.48 0.25 -0.89 0.00 0.00 0.00 174.94 174.78 3d6a s THR 546 N 0.61 5.30 -0.04 2.92 2.01 0.11 -0.24 115.64 126.30 3d6a s THR 546 Ca -0.03 0.39 -0.26 0.00 0.31 0.00 0.00 61.69 62.09 3d6a s THR 546 Cb -0.15 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3d6a s THR 546 CO 0.03 0.31 0.81 -0.76 -0.69 0.00 0.00 174.62 174.31 3d6a s LEU 547 N 1.18 4.33 -0.41 4.42 1.02 0.08 -1.06 118.68 128.24 3d6a s LEU 547 Ca 0.12 1.37 0.00 0.00 0.02 0.00 0.00 54.13 55.64 3d6a s LEU 547 Cb -0.14 -3.27 0.11 0.00 0.02 0.00 0.00 46.19 42.91 3d6a s LEU 547 CO 0.06 -0.18 0.17 -0.63 0.02 0.00 0.00 176.35 175.80 3d6a s ILE 548 N 0.90 2.91 -0.34 -0.59 -1.09 0.58 -0.03 121.20 123.55 3d6a s ILE 548 Ca 0.43 -2.34 -0.17 0.00 -2.23 0.00 0.00 60.65 56.35 3d6a s ILE 548 Cb -0.19 -3.03 -0.01 0.00 -1.58 0.00 0.00 42.46 37.65 3d6a s ILE 548 CO 0.22 -0.68 0.43 -0.69 -1.23 0.00 0.00 174.94 172.99 3d6a s VAL 549 N 0.84 5.10 0.00 2.92 1.01 0.45 -0.75 120.40 129.97 3d6a s VAL 549 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3d6a s VAL 549 Cb -0.21 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3d6a s VAL 549 CO -0.05 -0.13 0.00 -0.24 0.00 0.00 0.00 175.10 174.68 3d6a n SER 550 N 5.54 0.69 -4.71 3.32 2.88 -0.48 -1.58 113.62 119.27 3d6a n SER 550 Ca -0.07 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.24 3d6a n SER 550 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.34 2.72 0.29 0.66 3.76 -1.26 -2.16 115.29 118.96 3d6a s HIS 551 Ca 0.00 -0.33 0.04 0.00 -0.15 0.00 0.00 55.06 54.62 3d6a s HIS 551 Cb 0.00 -1.51 0.71 0.00 1.11 0.00 0.00 32.58 32.89 3d6a s HIS 551 CO 0.00 0.42 1.74 0.66 -0.85 0.00 0.00 174.74 176.71 3d6a h SER 552 N 1.64 0.57 -0.00 1.40 4.64 -1.92 -0.05 113.55 119.82 3d6a h SER 552 Ca -0.44 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3d6a h SER 552 Cb 1.25 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3d6a h SER 552 CO 0.62 0.15 0.00 0.77 -0.87 0.00 0.00 176.83 177.50 3d6a h SER 553 N 0.59 0.00 0.19 4.97 4.64 -1.96 -2.55 113.55 119.44 3d6a h SER 553 Ca 0.56 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.86 3d6a h SER 553 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3d6a h SER 553 CO -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.45 3d6a h ALA 554 N 2.00 1.41 -0.07 5.18 0.00 -1.38 -0.71 119.26 125.69 3d6a h ALA 554 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3d6a h ALA 554 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3d6a h ALA 554 CO -0.00 0.09 0.05 -0.07 0.00 0.00 0.00 179.25 179.32 3d6a h LEU 555 N 0.00 0.07 0.00 0.00 4.07 -1.55 0.11 115.31 118.01 3d6a h LEU 555 Ca -0.00 -0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.55 3d6a h LEU 555 Cb 0.19 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 41.84 3d6a h LEU 555 CO 0.01 0.05 -2.47 -0.67 -1.08 0.00 0.00 178.44 174.28 3d6a n ASP 556 N -4.53 1.98 0.19 -0.43 2.03 -0.91 -4.29 116.55 110.60 3d6a n ASP 556 Ca -0.02 0.03 0.08 0.00 0.52 0.00 0.00 54.79 55.40 3d6a n ASP 556 Cb 0.10 -0.56 0.27 0.00 -0.72 0.00 0.00 41.12 40.20 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 -0.33 0.00 0.01 1.67 4.64 -1.11 -2.33 113.55 116.10 3d6a h SER 557 Ca -0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 3d6a h SER 557 Cb 1.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 3d6a h SER 557 CO -0.19 0.28 -0.36 0.00 -0.87 0.00 0.00 176.83 175.69 3d6a n THR 559 N 0.15 0.64 -0.31 0.00 -2.24 -1.20 -4.57 114.28 106.75 3d6a n THR 559 Ca 0.11 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 3d6a n THR 559 Cb 0.47 -0.83 0.08 0.00 -2.10 0.00 0.00 70.33 67.96 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 1.18 -0.49 -0.78 3.08 -1.65 -1.43 114.38 114.28 3d6a h ARG 560 Ca -0.25 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3d6a h ARG 560 Cb 1.48 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 3d6a h ARG 560 CO -0.01 0.85 0.32 -1.35 -1.07 0.00 0.00 179.97 178.71 3d6a h PRO 561 N 1.18 0.65 -0.95 0.04 0.11 -1.80 -0.41 132.00 130.82 3d6a h PRO 561 Ca 0.30 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.54 3d6a h PRO 561 Cb 0.01 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 30.87 3d6a h PRO 561 CO -0.05 0.45 0.54 -0.07 -0.21 0.00 0.00 178.00 178.66 3d6a h LEU 562 N 0.67 0.68 -0.25 2.35 4.07 -1.71 -1.57 115.31 119.55 3d6a h LEU 562 Ca 0.18 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.24 3d6a h LEU 562 Cb -0.06 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.66 3d6a h LEU 562 CO -0.04 0.24 0.00 0.18 -1.08 0.00 0.00 178.44 177.74 3d6a n LEU 563 N -4.82 0.38 -2.14 1.67 4.77 -0.57 -4.15 117.00 112.13 3d6a n LEU 563 Ca 0.21 -0.15 -0.18 0.00 -0.03 0.00 0.00 56.01 55.87 3d6a n LEU 563 Cb 0.54 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3d6a n LEU 563 CO 0.21 0.07 -0.15 0.61 -1.33 0.00 0.00 177.39 176.80 3d6a n GLY 564 N 0.94 -0.33 3.69 -0.72 0.00 -0.59 -4.91 105.19 103.27 3d6a n GLY 564 Ca 0.18 -0.12 -0.34 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 -5.15 3.56 0.85 0.99 1.43 -0.22 -5.03 118.68 115.10 3d6a s LEU 565 Ca 0.08 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 3d6a s LEU 565 Cb -0.04 -1.95 0.10 0.00 0.03 0.00 0.00 46.19 44.33 3d6a s LEU 565 CO 0.10 0.32 1.09 -2.84 0.23 0.00 0.00 176.35 175.25 3d6a s PRO 566 N -1.30 1.68 0.53 1.29 0.02 -1.26 -4.17 135.00 131.79 3d6a s PRO 566 Ca 0.17 0.81 -0.22 0.00 0.02 0.00 0.00 61.00 61.78 3d6a s PRO 566 Cb -0.11 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 3d6a s PRO 566 CO 0.07 -1.95 1.36 -2.14 -0.33 0.00 0.00 177.00 174.02 3d6a s PRO 567 N -5.00 3.22 0.57 5.54 0.02 -1.26 -4.97 135.00 133.11 3d6a s PRO 567 Ca 0.62 2.24 -0.19 0.00 0.02 0.00 0.00 61.00 63.69 3d6a s PRO 567 Cb -0.17 -2.31 -0.05 0.00 0.02 0.00 0.00 34.50 32.00 3d6a s PRO 567 CO 0.56 -1.13 1.19 1.03 -0.33 0.00 0.00 177.00 178.32 3d6a s ARG 568 N -2.85 3.15 0.40 5.54 0.52 -1.26 -4.99 118.95 119.46 3d6a s ARG 568 Ca 0.70 1.77 -0.25 0.00 -0.52 0.00 0.00 55.73 57.43 3d6a s ARG 568 Cb -0.40 -2.00 -0.11 0.00 0.52 0.00 0.00 34.95 32.96 3d6a s ARG 568 CO 0.48 -1.05 1.07 0.39 0.02 0.00 0.00 175.30 176.21 3d6a n GLU 569 N -1.40 1.49 -0.28 3.54 1.02 -1.26 -4.68 120.64 119.07 3d6a n GLU 569 Ca 0.12 0.53 0.03 0.00 -0.02 0.00 0.00 57.16 57.83 3d6a n GLU 569 Cb 0.50 -2.08 0.24 0.00 -0.02 0.00 0.00 31.44 30.08 3d6a n GLU 569 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d6a h GLY 571 N 1.02 0.19 0.93 0.00 0.00 -1.99 -2.14 103.07 101.08 3d6a h GLY 571 Ca 0.35 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.57 3d6a h GLY 571 CO -0.12 0.13 0.52 -1.80 0.00 0.00 0.00 176.54 175.27 3d6a h ASP 572 N -0.11 0.88 -0.30 0.19 3.58 -1.68 -2.37 116.42 116.61 3d6a h ASP 572 Ca 0.03 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.47 3d6a h ASP 572 Cb 0.35 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 3d6a h ASP 572 CO 0.01 0.62 0.18 0.15 -2.88 0.00 0.00 179.24 177.32 3d6a h PHE 573 N 1.04 0.34 -0.44 0.28 3.57 -0.83 -2.98 116.94 117.91 3d6a h PHE 573 Ca 0.31 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 3d6a h PHE 573 Cb -0.05 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3d6a h PHE 573 CO -0.02 0.21 0.01 0.00 -2.23 0.00 0.00 178.31 176.27 3d6a h ALA 574 N 1.13 1.19 -0.09 2.41 0.00 -0.89 -1.61 119.26 121.40 3d6a h ALA 574 Ca 0.12 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 3d6a h ALA 574 Cb -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3d6a h ALA 574 CO -0.05 0.53 -0.73 -0.56 0.00 0.00 0.00 179.25 178.45 3d6a h GLN 575 N 0.67 0.46 -0.18 0.00 3.07 -1.48 -2.78 115.11 114.87 3d6a h GLN 575 Ca 0.14 -0.37 -0.01 0.00 0.09 0.00 0.00 58.65 58.49 3d6a h GLN 575 Cb 0.40 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 3d6a h GLN 575 CO 0.01 1.00 0.06 -0.07 0.09 0.00 0.00 178.83 179.93 3d6a h LEU 576 N 0.31 0.26 0.00 0.06 3.38 -1.34 -3.31 115.31 114.67 3d6a h LEU 576 Ca -0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3d6a h LEU 576 Cb 1.31 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3d6a h LEU 576 CO 0.13 0.39 -0.22 -0.37 0.09 0.00 0.00 178.44 178.46 3d6a h VAL 577 N 0.12 0.23 -0.70 1.22 -1.51 -1.35 -3.19 116.25 111.06 3d6a h VAL 577 Ca 0.06 -1.33 0.17 0.00 -1.23 0.00 0.00 66.70 64.37 3d6a h VAL 577 Cb 0.22 2.08 -0.04 0.00 -2.13 0.00 0.00 31.29 31.42 3d6a h VAL 577 CO -0.00 0.13 0.48 0.03 -1.23 0.00 0.00 177.57 176.98 3d6a h ARG 578 N 0.00 0.22 -0.51 5.19 3.08 -1.58 -3.07 114.38 117.71 3d6a h ARG 578 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3d6a h ARG 578 Cb 1.11 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3d6a h ARG 578 CO 0.02 0.14 0.00 0.36 -1.07 0.00 0.00 179.97 179.42 3d6a n LYS 579 N -4.42 2.45 -2.63 0.04 -0.00 -1.21 -4.92 118.16 107.47 3d6a n LYS 579 Ca 0.14 -2.22 -0.43 0.00 -0.00 0.00 0.00 58.31 55.80 3d6a n LYS 579 Cb 0.62 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 34.12 3d6a n LYS 579 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3d6a s ILE 580 N -1.33 4.64 0.75 0.58 1.01 -1.16 -5.03 121.20 120.66 3d6a s ILE 580 Ca 0.41 1.95 -0.07 0.00 0.00 0.00 0.00 60.65 62.94 3d6a s ILE 580 Cb 0.22 -4.25 0.10 0.00 0.01 0.00 0.00 42.46 38.54 3d6a s ILE 580 CO 0.30 -0.08 1.06 -2.16 0.00 0.00 0.00 174.94 174.07 3d6a s PRO 581 N 2.59 1.79 0.31 2.79 0.04 -1.26 -4.95 135.00 136.31 3d6a s PRO 581 Ca 0.48 -0.48 -0.30 0.00 0.04 0.00 0.00 61.00 60.74 3d6a s PRO 581 Cb -0.18 -2.15 -0.12 0.00 0.04 0.00 0.00 34.50 32.09 3d6a s PRO 581 CO 0.14 -1.50 1.54 0.43 0.04 0.00 0.00 177.00 177.65 3d6a n SER 582 N -3.05 3.67 -0.04 6.66 7.64 -1.26 -1.04 113.62 126.19 3d6a n SER 582 Ca 0.11 1.16 -0.01 0.00 1.01 0.00 0.00 58.87 61.15 3d6a n SER 582 Cb 0.60 -1.57 -0.00 0.00 -1.01 0.00 0.00 64.21 62.23 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 1.78 0.85 -4.68 -3.43 7.99 -0.85 -4.94 117.00 113.72 3d6a n LEU 583 Ca 0.07 0.01 -0.42 0.00 -0.01 0.00 0.00 56.01 55.67 3d6a n LEU 583 Cb 0.36 -2.34 0.00 0.00 -0.11 0.00 0.00 43.42 41.34 3d6a n LEU 583 CO 0.64 -0.92 0.84 0.61 -1.51 0.00 0.00 177.39 177.05 3d6a n GLY 584 N 0.62 0.43 3.11 -0.72 0.00 -0.21 -4.57 105.19 103.84 3d6a n GLY 584 Ca -0.01 0.24 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.02 0.74 -0.04 1.61 -1.94 -1.26 -0.84 119.30 115.55 3d6a s MET 585 Ca 0.59 -0.74 0.02 0.00 -1.71 0.00 0.00 55.69 53.85 3d6a s MET 585 Cb -0.55 -0.68 0.01 0.00 2.01 0.00 0.00 34.83 35.62 3d6a s MET 585 CO 0.60 0.16 -0.10 0.00 -0.01 0.00 0.00 175.02 175.67 3d6a s PHE 587 N 0.35 2.13 -0.09 0.00 5.36 -1.25 -1.22 117.98 123.26 3d6a s PHE 587 Ca -0.06 -1.14 0.02 0.00 -0.96 0.00 0.00 56.93 54.78 3d6a s PHE 587 Cb -0.11 -1.56 -0.02 0.00 -0.34 0.00 0.00 43.02 40.99 3d6a s PHE 587 CO 0.01 -0.62 -0.13 0.00 -1.46 0.00 0.00 175.22 173.03 3d6a s GLU 589 N -0.26 1.90 -0.35 0.00 2.02 -0.43 -0.33 118.70 121.24 3d6a s GLU 589 Ca 0.02 -1.07 -0.13 0.00 0.02 0.00 0.00 54.97 53.81 3d6a s GLU 589 Cb -0.13 -2.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 3d6a s GLU 589 CO 0.03 0.52 0.25 -2.00 0.02 0.00 0.00 175.26 174.08 3d6a s GLU 590 N -1.42 3.43 -0.68 1.61 2.12 -0.04 -0.92 118.70 122.80 3d6a s GLU 590 Ca 0.13 -0.68 -0.27 0.00 0.36 0.00 0.00 54.97 54.51 3d6a s GLU 590 Cb -0.10 -3.83 0.01 0.00 0.26 0.00 0.00 34.13 30.47 3d6a s GLU 590 CO 0.04 -0.49 1.46 1.21 -0.54 0.00 0.00 175.26 176.94 3d6a s ASN 591 N 1.72 5.92 0.33 -1.70 3.84 -0.55 -4.30 114.94 120.18 3d6a s ASN 591 Ca 0.06 -0.12 0.16 0.00 0.21 0.00 0.00 52.86 53.17 3d6a s ASN 591 Cb -0.18 -2.55 0.50 0.00 -0.55 0.00 0.00 41.25 38.47 3d6a s ASN 591 CO 0.11 -1.96 1.65 -0.09 -2.79 0.00 0.00 177.10 174.02 3d6a h ARG 592 N 11.51 0.00 0.17 0.43 2.43 -1.87 0.30 114.38 127.36 3d6a h ARG 592 Ca -0.27 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 3d6a h ARG 592 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3d6a h ARG 592 CO 1.25 0.48 -0.08 1.49 -1.51 0.00 0.00 179.97 181.59 3d6a h GLU 593 N 0.00 -0.22 0.00 0.20 4.81 -1.96 -3.32 114.58 114.08 3d6a h GLU 593 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3d6a h GLU 593 Cb 1.04 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3d6a h GLU 593 CO 0.06 0.20 0.00 -0.44 -0.73 0.00 0.00 179.01 178.10 3d6a h ASP 594 N -0.80 0.00 0.00 1.04 5.19 -1.98 -3.47 116.42 116.40 3d6a h ASP 594 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3d6a h ASP 594 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3d6a h ASP 594 CO 0.04 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.77 3d6a n GLY 595 N 0.88 2.90 3.99 2.75 0.00 0.08 -5.07 105.19 110.73 3d6a n GLY 595 Ca 0.03 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 3d6a n GLY 595 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d6a s LYS 596 N 0.00 3.04 -0.02 1.61 -2.85 -1.13 -4.76 119.74 115.62 3d6a s LYS 596 Ca 0.00 -1.05 -0.03 0.00 -1.00 0.00 0.00 55.97 53.89 3d6a s LYS 596 Cb 0.00 -2.79 -0.04 0.00 -2.06 0.00 0.00 37.83 32.94 3d6a s LYS 596 CO 0.00 -0.04 0.17 -1.58 0.10 0.00 0.00 175.35 174.00 3d6a s TRP 597 N -2.24 3.54 -0.02 1.78 0.52 -1.26 -1.49 118.94 119.78 3d6a s TRP 597 Ca 0.48 0.37 0.06 0.00 0.02 0.00 0.00 56.10 57.03 3d6a s TRP 597 Cb -0.10 -1.84 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 3d6a s TRP 597 CO 0.32 0.65 -0.19 -0.51 0.02 0.00 0.00 176.95 177.24 3d6a s ASP 598 N -1.82 2.27 -0.23 2.95 1.01 -0.10 -4.71 116.67 116.03 3d6a s ASP 598 Ca 0.26 -0.35 -0.29 0.00 0.71 0.00 0.00 52.55 52.87 3d6a s ASP 598 Cb -0.13 -0.32 -0.02 0.00 1.01 0.00 0.00 42.92 43.47 3d6a s ASP 598 CO 0.17 0.22 1.52 -0.22 0.21 0.00 0.00 175.17 177.07 3d6a s LEU 599 N -0.37 3.92 0.23 1.23 2.96 -1.26 -1.32 118.68 124.08 3d6a s LEU 599 Ca 0.05 1.54 0.11 0.00 -0.22 0.00 0.00 54.13 55.62 3d6a s LEU 599 Cb -0.08 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 3d6a s LEU 599 CO -0.00 -1.18 -0.21 -0.69 -1.32 0.00 0.00 176.35 172.95 3d6a s VAL 600 N 4.87 2.34 0.16 1.68 1.01 0.14 -4.98 120.40 125.61 3d6a s VAL 600 Ca 0.67 -2.22 -0.33 0.00 0.00 0.00 0.00 61.98 60.10 3d6a s VAL 600 Cb -0.23 -2.18 -0.13 0.00 0.00 0.00 0.00 36.38 33.84 3d6a s VAL 600 CO 0.27 -0.30 1.66 0.59 0.00 0.00 0.00 175.10 177.32 3d6a n ASN 601 N -0.21 3.48 -4.69 3.32 3.02 -1.26 -3.96 115.26 114.95 3d6a n ASN 601 Ca -0.09 1.06 -0.39 0.00 -0.03 0.00 0.00 54.58 55.14 3d6a n ASN 601 Cb 0.58 -1.48 0.04 0.00 -0.61 0.00 0.00 39.78 38.32 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 3.99 1.45 0.00 3.52 -0.02 -1.26 -4.89 135.00 137.78 3d6a n PRO 602 Ca 0.17 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 62.28 3d6a n PRO 602 Cb 0.31 -2.40 0.45 0.00 -0.02 0.00 0.00 33.50 31.84 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 -0.87 0.15 -4.31 0.52 -0.04 -1.26 -4.72 135.00 124.47 3d6a n PRO 603 Ca 0.11 0.14 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 3d6a n PRO 603 Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.77 1.57 0.90 0.52 -7.23 -1.26 -4.85 120.40 107.28 3d6a s VAL 604 Ca 0.14 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.15 3d6a s VAL 604 Cb 0.13 -1.88 0.13 0.00 0.56 0.00 0.00 36.38 35.31 3d6a s VAL 604 CO 0.32 -0.55 1.09 -0.54 -0.31 0.00 0.00 175.10 175.11 3d6a s LYS 605 N -3.36 1.23 0.86 4.82 3.01 -1.26 -5.05 119.74 119.99 3d6a s LYS 605 Ca 0.18 0.93 -0.11 0.00 -1.01 0.00 0.00 55.97 55.96 3d6a s LYS 605 Cb -0.02 -1.80 0.11 0.00 -1.01 0.00 0.00 37.83 35.12 3d6a s LYS 605 CO 0.05 -2.29 1.09 -0.08 0.51 0.00 0.00 175.35 174.63 3d6a s THR 606 N -2.87 2.82 -0.27 2.17 -1.32 -1.26 -5.06 115.64 109.85 3d6a s THR 606 Ca 0.64 0.27 0.02 0.00 -1.21 0.00 0.00 61.69 61.41 3d6a s THR 606 Cb -0.19 -2.77 0.07 0.00 -1.51 0.00 0.00 72.50 68.10 3d6a s THR 606 CO 0.57 -0.35 -0.05 -0.22 -2.21 0.00 0.00 174.62 172.37 3d6a s LEU 607 N -6.13 3.42 -0.21 9.08 2.96 -1.26 -5.10 118.68 121.44 3d6a s LEU 607 Ca 0.63 -1.51 -0.04 0.00 -0.22 0.00 0.00 54.13 52.98 3d6a s LEU 607 Cb -0.17 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 3d6a s LEU 607 CO 0.57 -0.26 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.42 3d6a s THR 608 N 1.17 3.53 0.19 3.68 2.01 -1.26 -5.01 115.64 119.95 3d6a s THR 608 Ca -0.03 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 3d6a s THR 608 Cb -0.19 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 3d6a s THR 608 CO -0.07 0.42 0.23 -1.38 -0.69 0.00 0.00 174.62 173.13 3d6a s HIS 609 N 1.32 0.72 0.71 4.92 -3.43 -1.26 -5.18 115.29 113.09 3d6a s HIS 609 Ca 0.04 -1.04 0.00 0.00 -0.80 0.00 0.00 55.06 53.26 3d6a s HIS 609 Cb -0.14 -0.25 0.13 0.00 -1.43 0.00 0.00 32.58 30.88 3d6a s HIS 609 CO -0.01 -0.71 0.98 0.20 -2.00 0.00 0.00 174.74 173.20 3d6a s GLY 610 N -3.05 1.76 0.67 -1.38 0.00 -1.26 -5.11 107.32 98.95 3d6a s GLY 610 Ca 0.26 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.18 3d6a s GLY 610 CO 0.06 -1.22 0.94 0.00 0.00 0.00 0.00 173.10 172.88 3d6a s ALA 611 N -3.11 3.61 -0.24 3.20 0.00 -1.26 -5.09 121.76 118.87 3d6a s ALA 611 Ca 0.66 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 3d6a s ALA 611 Cb -0.05 -2.16 0.07 0.00 0.00 0.00 0.00 23.12 20.98 3d6a s ALA 611 CO 0.44 -1.25 0.02 1.21 0.00 0.00 0.00 175.76 176.18 3d6a s ASN 612 N -4.61 3.51 0.71 0.00 2.47 -1.26 -5.14 114.94 110.62 3d6a s ASN 612 Ca 0.63 -1.15 -0.11 0.00 0.42 0.00 0.00 52.86 52.65 3d6a s ASN 612 Cb -0.08 -0.87 0.02 0.00 -1.45 0.00 0.00 41.25 38.87 3d6a s ASN 612 CO 0.43 -0.31 1.07 -0.44 -3.72 0.00 0.00 177.10 174.13 3d6a s SER 613 N 1.63 5.27 0.31 -4.21 0.01 -1.26 -5.00 113.70 110.45 3d6a s SER 613 Ca 0.00 1.53 -0.29 0.00 1.31 0.00 0.00 55.95 58.50 3d6a s SER 613 Cb -0.18 -2.39 -0.10 0.00 0.21 0.00 0.00 66.02 63.57 3d6a s SER 613 CO -0.11 -1.50 1.17 0.54 0.41 0.00 0.00 173.24 173.74 3d6a s VAL 614 N -3.09 3.23 -0.11 3.43 0.11 -1.26 -5.03 120.40 117.69 3d6a s VAL 614 Ca 0.58 1.21 0.01 0.00 -2.93 0.00 0.00 61.98 60.85 3d6a s VAL 614 Cb -0.14 -3.76 0.02 0.00 -1.53 0.00 0.00 36.38 30.97 3d6a s VAL 614 CO 0.55 0.26 -0.14 0.12 -3.33 0.00 0.00 175.10 172.56 3d6a s PHE 615 N -1.20 1.89 -0.26 1.54 5.36 -1.26 -5.10 117.98 118.95 3d6a s PHE 615 Ca 0.48 -0.91 -0.06 0.00 -0.96 0.00 0.00 56.93 55.48 3d6a s PHE 615 Cb -0.34 -1.39 -0.01 0.00 -0.34 0.00 0.00 43.02 40.95 3d6a s PHE 615 CO 0.44 -0.50 0.04 1.21 -1.46 0.00 0.00 175.22 174.95 3d6a s ASN 616 N 1.14 4.85 0.35 6.13 2.47 -1.26 -5.00 114.94 123.63 3d6a s ASN 616 Ca -0.04 -0.48 0.11 0.00 0.42 0.00 0.00 52.86 52.87 3d6a s ASN 616 Cb -0.14 -1.84 0.66 0.00 -1.45 0.00 0.00 41.25 38.48 3d6a s ASN 616 CO -0.04 -0.10 1.80 4.11 -3.72 0.00 0.00 177.10 179.16 3d6a h TRP 617 N 8.19 0.09 -0.51 0.43 5.08 -1.99 -3.17 115.95 124.07 3d6a h TRP 617 Ca -0.36 -0.02 -0.08 0.00 1.08 0.00 0.00 58.89 59.51 3d6a h TRP 617 Cb 1.15 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 27.27 3d6a h TRP 617 CO 0.62 0.43 -0.00 0.00 -1.28 0.00 0.00 178.44 178.21 3d6a h ARG 618 N 0.07 0.90 0.00 0.12 3.08 -1.94 0.22 114.38 116.82 3d6a h ARG 618 Ca 0.01 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3d6a h ARG 618 Cb 0.67 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3d6a h ARG 618 CO 0.05 0.93 0.00 -0.91 -1.07 0.00 0.00 179.97 178.97 3d6a h ASN 619 N 0.76 0.00 0.00 7.04 2.35 -1.99 -3.31 115.58 120.43 3d6a h ASN 619 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3d6a h ASN 619 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3d6a h ASN 619 CO 0.03 0.00 -0.93 0.79 -1.65 0.00 0.00 177.43 175.66 3d6a n TRP 620 N -2.77 0.00 -0.59 1.19 7.02 -1.08 -5.13 117.44 116.09 3d6a n TRP 620 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 3d6a n TRP 620 Cb 0.17 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.06 3d6a n TRP 620 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78